USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1107 hydrogens (20 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: B 170 SEP H2 : B 170 SEP N : B 169 ASN C :(H bumps) USER MOD NoAdj-H: B 171 SEP H2 : B 171 SEP N : B 170 SEP C :(H bumps) USER MOD NoAdj-H: B 173 SEP H2 : B 173 SEP N : B 172 GLY C :(H bumps) USER MOD NoAdj-H: B 173 SEP H : B 173 SEP N : B 172 GLY C :(H bumps) USER MOD NoAdj-H: B 174 SEP H2 : B 174 SEP N : B 173 SEP C :(H bumps) USER MOD NoAdj-H: B 174 SEP H : B 174 SEP N : B 173 SEP C :(H bumps) USER MOD NoAdj-H: B 177 SEP H2 : B 177 SEP N : B 176 ASP C :(H bumps) USER MOD Set 1.1: A 57 HIS : no HD1:sc= -0.771 X(o=-0.78,f=-0.66) USER MOD Set 1.2: B 183 MET CE :methyl -150:sc= -0.0083 (180deg=-0.118) USER MOD Set 2.1: A 74 ASN :FLIP amide:sc= -2.09! C(o=-4.4!,f=-2.8!) USER MOD Set 2.2: A 76 ASN :FLIP amide:sc= -0.715 X(o=-3.1,f=-2.8) USER MOD Set 3.1: A 38 TYR OH : rot 180:sc= 0.296 USER MOD Set 3.2: A 39 LYS NZ :NH3+ -108:sc= 0.331 (180deg=0) USER MOD Set 4.1: A 26 GLN : amide:sc= 0.903 K(o=0.071,f=-0.87) USER MOD Set 4.2: A 27 HIS : no HE2:sc= -0.832! K(o=0.071!,f=-0.87) USER MOD Set 5.1: A 6 THR OG1 : rot 125:sc= 1.24 USER MOD Set 5.2: A 9 GLN : amide:sc= 1.08 K(o=2.3,f=-2) USER MOD Set 6.1: A 8 LYS NZ :NH3+ -169:sc= 1.14 (180deg=0) USER MOD Set 6.2: A 110 TYR OH : rot 180:sc= 0.96 USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0224 (180deg=0) USER MOD Single : A 3 MET CE :methyl -179:sc= 0 (180deg=-0.00263) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 1.19 K(o=1.2,f=-0.14) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0358 USER MOD Single : A 30 LYS NZ :NH3+ -157:sc= 1.23 (180deg=0.301) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.6!) USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= 0.737 (180deg=0.732) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -145:sc= 0.859 (180deg=0.433) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.0642 F(o=-0.85,f=-0.064) USER MOD Single : A 60 MET CE :methyl 171:sc= 0 (180deg=-0.108) USER MOD Single : A 61 SER OG : rot -85:sc= 1.3 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 77 GLN : amide:sc= -0.156 K(o=-0.16,f=-3.1!) USER MOD Single : A 84 ASN : amide:sc= 1.42 K(o=1.4,f=-0.65) USER MOD Single : A 86 HIS : no HD1:sc= -0.0949 K(o=-0.095,f=-0.97) USER MOD Single : A 87 SER OG : rot 85:sc= 1.3 USER MOD Single : A 88 MET CE :methyl 161:sc= -0.12 (180deg=-0.993) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 108:sc= 0.224 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -64:sc= 1.03 USER MOD Single : A 101 SER OG : rot 83:sc= 1.22 USER MOD Single : A 103 LYS NZ :NH3+ -165:sc= -0.145 (180deg=-0.57) USER MOD Single : A 111 MET CE :methyl 167:sc= -1.01 (180deg=-1.35) USER MOD Single : A 113 TYR OH : rot 158:sc= 1.23 USER MOD Single : A 115 SER OG : rot 79:sc= 1.25 USER MOD Single : A 116 GLN : amide:sc= 1.19 K(o=1.2,f=-0.0084) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 169 ASN : amide:sc= 0.709 K(o=0.71,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.384 -24.050 0.648 1.00 51.13 N ATOM 2 CA GLY A 1 -7.066 -24.371 0.076 1.00 43.44 C ATOM 3 C GLY A 1 -6.092 -23.223 0.287 1.00 44.24 C ATOM 4 O GLY A 1 -6.474 -22.061 0.162 1.00 22.54 O ATOM 0 H1 GLY A 1 -9.131 -24.361 -0.005 1.00 51.13 H new ATOM 0 H2 GLY A 1 -8.495 -24.539 1.559 1.00 51.13 H new ATOM 0 H3 GLY A 1 -8.458 -23.023 0.794 1.00 51.13 H new ATOM 0 HA2 GLY A 1 -6.674 -25.276 0.540 1.00 43.44 H new ATOM 0 HA3 GLY A 1 -7.167 -24.577 -0.990 1.00 43.44 H new ATOM 8 N ALA A 2 -4.831 -23.532 0.588 1.00 33.41 N ATOM 9 CA ALA A 2 -3.767 -22.572 0.828 1.00 52.31 C ATOM 10 C ALA A 2 -3.451 -21.812 -0.458 1.00 61.15 C ATOM 11 O ALA A 2 -2.916 -22.406 -1.401 1.00 5.03 O ATOM 12 CB ALA A 2 -2.517 -23.295 1.350 1.00 32.31 C ATOM 0 H ALA A 2 -4.516 -24.498 0.673 1.00 33.41 H new ATOM 0 HA ALA A 2 -4.093 -21.856 1.582 1.00 52.31 H new ATOM 0 HB1 ALA A 2 -1.724 -22.569 1.527 1.00 32.31 H new ATOM 0 HB2 ALA A 2 -2.755 -23.807 2.282 1.00 32.31 H new ATOM 0 HB3 ALA A 2 -2.183 -24.024 0.611 1.00 32.31 H new ATOM 18 N MET A 3 -3.841 -20.541 -0.521 1.00 10.02 N ATOM 19 CA MET A 3 -3.609 -19.644 -1.641 1.00 14.04 C ATOM 20 C MET A 3 -3.833 -18.226 -1.113 1.00 33.22 C ATOM 21 O MET A 3 -4.795 -17.985 -0.375 1.00 31.31 O ATOM 22 CB MET A 3 -4.540 -19.966 -2.826 1.00 10.41 C ATOM 23 CG MET A 3 -4.120 -19.179 -4.076 1.00 13.43 C ATOM 24 SD MET A 3 -4.979 -19.603 -5.618 1.00 10.10 S ATOM 25 CE MET A 3 -4.276 -21.229 -6.006 1.00 45.12 C ATOM 0 H MET A 3 -4.349 -20.093 0.242 1.00 10.02 H new ATOM 0 HA MET A 3 -2.596 -19.756 -2.027 1.00 14.04 H new ATOM 0 HB2 MET A 3 -4.512 -21.035 -3.037 1.00 10.41 H new ATOM 0 HB3 MET A 3 -5.569 -19.720 -2.564 1.00 10.41 H new ATOM 0 HG2 MET A 3 -4.273 -18.118 -3.880 1.00 13.43 H new ATOM 0 HG3 MET A 3 -3.051 -19.324 -4.229 1.00 13.43 H new ATOM 0 HE1 MET A 3 -4.703 -21.597 -6.939 1.00 45.12 H new ATOM 0 HE2 MET A 3 -3.195 -21.142 -6.112 1.00 45.12 H new ATOM 0 HE3 MET A 3 -4.507 -21.927 -5.201 1.00 45.12 H new ATOM 35 N GLY A 4 -2.954 -17.291 -1.468 1.00 32.54 N ATOM 36 CA GLY A 4 -3.045 -15.901 -1.048 1.00 53.35 C ATOM 37 C GLY A 4 -3.947 -15.142 -2.016 1.00 50.05 C ATOM 38 O GLY A 4 -3.563 -14.973 -3.177 1.00 31.20 O ATOM 0 H GLY A 4 -2.149 -17.484 -2.064 1.00 32.54 H new ATOM 0 HA2 GLY A 4 -3.445 -15.840 -0.036 1.00 53.35 H new ATOM 0 HA3 GLY A 4 -2.053 -15.450 -1.027 1.00 53.35 H new ATOM 42 N LYS A 5 -5.143 -14.725 -1.585 1.00 24.14 N ATOM 43 CA LYS A 5 -6.065 -13.984 -2.450 1.00 43.14 C ATOM 44 C LYS A 5 -5.500 -12.589 -2.659 1.00 54.31 C ATOM 45 O LYS A 5 -5.061 -11.948 -1.697 1.00 22.21 O ATOM 46 CB LYS A 5 -7.467 -13.924 -1.817 1.00 74.15 C ATOM 47 CG LYS A 5 -8.568 -13.496 -2.808 1.00 65.23 C ATOM 48 CD LYS A 5 -9.010 -14.612 -3.774 1.00 11.21 C ATOM 49 CE LYS A 5 -9.905 -15.627 -3.056 1.00 23.30 C ATOM 50 NZ LYS A 5 -10.470 -16.647 -3.963 1.00 25.14 N ATOM 0 H LYS A 5 -5.494 -14.889 -0.641 1.00 24.14 H new ATOM 0 HA LYS A 5 -6.166 -14.487 -3.412 1.00 43.14 H new ATOM 0 HB2 LYS A 5 -7.716 -14.904 -1.410 1.00 74.15 H new ATOM 0 HB3 LYS A 5 -7.450 -13.226 -0.980 1.00 74.15 H new ATOM 0 HG2 LYS A 5 -9.436 -13.152 -2.245 1.00 65.23 H new ATOM 0 HG3 LYS A 5 -8.209 -12.647 -3.390 1.00 65.23 H new ATOM 0 HD2 LYS A 5 -9.548 -14.178 -4.617 1.00 11.21 H new ATOM 0 HD3 LYS A 5 -8.133 -15.116 -4.180 1.00 11.21 H new ATOM 0 HE2 LYS A 5 -9.328 -16.123 -2.276 1.00 23.30 H new ATOM 0 HE3 LYS A 5 -10.720 -15.098 -2.562 1.00 23.30 H new ATOM 0 HZ1 LYS A 5 -11.065 -17.304 -3.419 1.00 25.14 H new ATOM 0 HZ2 LYS A 5 -11.046 -16.181 -4.693 1.00 25.14 H new ATOM 0 HZ3 LYS A 5 -9.697 -17.175 -4.416 1.00 25.14 H new ATOM 64 N THR A 6 -5.577 -12.076 -3.880 1.00 3.43 N ATOM 65 CA THR A 6 -5.064 -10.752 -4.208 1.00 5.34 C ATOM 66 C THR A 6 -6.172 -9.689 -4.102 1.00 32.42 C ATOM 67 O THR A 6 -7.368 -9.985 -4.194 1.00 52.34 O ATOM 68 CB THR A 6 -4.430 -10.807 -5.607 1.00 63.13 C ATOM 69 OG1 THR A 6 -3.707 -12.012 -5.784 1.00 11.31 O ATOM 70 CG2 THR A 6 -3.468 -9.643 -5.849 1.00 50.33 C ATOM 0 H THR A 6 -5.996 -12.565 -4.670 1.00 3.43 H new ATOM 0 HA THR A 6 -4.297 -10.457 -3.491 1.00 5.34 H new ATOM 0 HB THR A 6 -5.254 -10.746 -6.318 1.00 63.13 H new ATOM 0 HG1 THR A 6 -4.038 -12.478 -6.580 1.00 11.31 H new ATOM 0 HG21 THR A 6 -3.044 -9.723 -6.850 1.00 50.33 H new ATOM 0 HG22 THR A 6 -4.007 -8.700 -5.758 1.00 50.33 H new ATOM 0 HG23 THR A 6 -2.666 -9.675 -5.112 1.00 50.33 H new ATOM 78 N PHE A 7 -5.774 -8.424 -3.936 1.00 62.15 N ATOM 79 CA PHE A 7 -6.672 -7.279 -3.825 1.00 71.15 C ATOM 80 C PHE A 7 -7.580 -7.161 -5.067 1.00 11.31 C ATOM 81 O PHE A 7 -8.793 -7.015 -4.904 1.00 73.13 O ATOM 82 CB PHE A 7 -5.863 -6.002 -3.536 1.00 64.53 C ATOM 83 CG PHE A 7 -4.841 -5.652 -4.601 1.00 73.24 C ATOM 84 CD1 PHE A 7 -3.549 -6.207 -4.576 1.00 65.53 C ATOM 85 CD2 PHE A 7 -5.198 -4.792 -5.653 1.00 64.32 C ATOM 86 CE1 PHE A 7 -2.628 -5.890 -5.588 1.00 64.52 C ATOM 87 CE2 PHE A 7 -4.283 -4.478 -6.665 1.00 30.52 C ATOM 88 CZ PHE A 7 -2.990 -5.025 -6.631 1.00 51.42 C ATOM 0 H PHE A 7 -4.789 -8.165 -3.874 1.00 62.15 H new ATOM 0 HA PHE A 7 -7.345 -7.427 -2.981 1.00 71.15 H new ATOM 0 HB2 PHE A 7 -6.554 -5.166 -3.425 1.00 64.53 H new ATOM 0 HB3 PHE A 7 -5.349 -6.120 -2.582 1.00 64.53 H new ATOM 0 HD1 PHE A 7 -3.265 -6.877 -3.778 1.00 65.53 H new ATOM 0 HD2 PHE A 7 -6.191 -4.368 -5.681 1.00 64.32 H new ATOM 0 HE1 PHE A 7 -1.635 -6.315 -5.563 1.00 64.52 H new ATOM 0 HE2 PHE A 7 -4.571 -3.817 -7.469 1.00 30.52 H new ATOM 0 HZ PHE A 7 -2.277 -4.781 -7.405 1.00 51.42 H new ATOM 98 N LYS A 8 -7.038 -7.260 -6.292 1.00 14.24 N ATOM 99 CA LYS A 8 -7.854 -7.175 -7.510 1.00 52.02 C ATOM 100 C LYS A 8 -8.795 -8.383 -7.603 1.00 72.45 C ATOM 101 O LYS A 8 -9.943 -8.234 -8.000 1.00 73.32 O ATOM 102 CB LYS A 8 -6.982 -6.983 -8.771 1.00 12.24 C ATOM 103 CG LYS A 8 -6.934 -5.511 -9.198 1.00 4.34 C ATOM 104 CD LYS A 8 -6.123 -5.229 -10.471 1.00 42.24 C ATOM 105 CE LYS A 8 -4.636 -5.603 -10.368 1.00 2.13 C ATOM 106 NZ LYS A 8 -3.844 -4.936 -11.422 1.00 70.31 N ATOM 0 H LYS A 8 -6.042 -7.398 -6.463 1.00 14.24 H new ATOM 0 HA LYS A 8 -8.480 -6.284 -7.452 1.00 52.02 H new ATOM 0 HB2 LYS A 8 -5.971 -7.340 -8.574 1.00 12.24 H new ATOM 0 HB3 LYS A 8 -7.380 -7.587 -9.586 1.00 12.24 H new ATOM 0 HG2 LYS A 8 -7.954 -5.159 -9.350 1.00 4.34 H new ATOM 0 HG3 LYS A 8 -6.514 -4.925 -8.381 1.00 4.34 H new ATOM 0 HD2 LYS A 8 -6.568 -5.779 -11.300 1.00 42.24 H new ATOM 0 HD3 LYS A 8 -6.203 -4.169 -10.712 1.00 42.24 H new ATOM 0 HE2 LYS A 8 -4.254 -5.319 -9.387 1.00 2.13 H new ATOM 0 HE3 LYS A 8 -4.523 -6.684 -10.453 1.00 2.13 H new ATOM 0 HZ1 LYS A 8 -2.888 -5.344 -11.449 1.00 70.31 H new ATOM 0 HZ2 LYS A 8 -4.306 -5.075 -12.344 1.00 70.31 H new ATOM 0 HZ3 LYS A 8 -3.780 -3.918 -11.217 1.00 70.31 H new ATOM 120 N GLN A 9 -8.387 -9.564 -7.129 1.00 43.11 N ATOM 121 CA GLN A 9 -9.242 -10.751 -7.164 1.00 2.00 C ATOM 122 C GLN A 9 -10.473 -10.558 -6.268 1.00 25.44 C ATOM 123 O GLN A 9 -11.567 -10.954 -6.659 1.00 4.41 O ATOM 124 CB GLN A 9 -8.439 -11.989 -6.748 1.00 21.50 C ATOM 125 CG GLN A 9 -7.599 -12.549 -7.904 1.00 2.03 C ATOM 126 CD GLN A 9 -6.419 -13.354 -7.378 1.00 70.55 C ATOM 127 OE1 GLN A 9 -5.262 -13.061 -7.656 1.00 62.44 O ATOM 128 NE2 GLN A 9 -6.678 -14.326 -6.524 1.00 45.25 N ATOM 0 H GLN A 9 -7.468 -9.722 -6.716 1.00 43.11 H new ATOM 0 HA GLN A 9 -9.597 -10.901 -8.184 1.00 2.00 H new ATOM 0 HB2 GLN A 9 -7.784 -11.732 -5.916 1.00 21.50 H new ATOM 0 HB3 GLN A 9 -9.122 -12.760 -6.390 1.00 21.50 H new ATOM 0 HG2 GLN A 9 -8.221 -13.180 -8.538 1.00 2.03 H new ATOM 0 HG3 GLN A 9 -7.237 -11.730 -8.526 1.00 2.03 H new ATOM 0 HE21 GLN A 9 -7.644 -14.563 -6.299 1.00 45.25 H new ATOM 0 HE22 GLN A 9 -5.912 -14.840 -6.089 1.00 45.25 H new ATOM 137 N ARG A 10 -10.336 -9.937 -5.084 1.00 63.55 N ATOM 138 CA ARG A 10 -11.495 -9.718 -4.197 1.00 30.41 C ATOM 139 C ARG A 10 -12.408 -8.570 -4.651 1.00 12.33 C ATOM 140 O ARG A 10 -13.570 -8.507 -4.246 1.00 34.44 O ATOM 141 CB ARG A 10 -11.062 -9.542 -2.732 1.00 32.30 C ATOM 142 CG ARG A 10 -10.127 -8.348 -2.512 1.00 31.10 C ATOM 143 CD ARG A 10 -9.986 -7.968 -1.043 1.00 2.41 C ATOM 144 NE ARG A 10 -9.256 -8.998 -0.299 1.00 4.44 N ATOM 145 CZ ARG A 10 -9.714 -9.793 0.672 1.00 5.10 C ATOM 146 NH1 ARG A 10 -10.974 -9.742 1.075 1.00 65.15 N ATOM 147 NH2 ARG A 10 -8.859 -10.642 1.227 1.00 13.43 N ATOM 0 H ARG A 10 -9.451 -9.583 -4.722 1.00 63.55 H new ATOM 0 HA ARG A 10 -12.095 -10.625 -4.268 1.00 30.41 H new ATOM 0 HB2 ARG A 10 -11.949 -9.418 -2.111 1.00 32.30 H new ATOM 0 HB3 ARG A 10 -10.563 -10.451 -2.397 1.00 32.30 H new ATOM 0 HG2 ARG A 10 -9.143 -8.584 -2.917 1.00 31.10 H new ATOM 0 HG3 ARG A 10 -10.504 -7.490 -3.069 1.00 31.10 H new ATOM 0 HD2 ARG A 10 -9.463 -7.015 -0.959 1.00 2.41 H new ATOM 0 HD3 ARG A 10 -10.974 -7.829 -0.604 1.00 2.41 H new ATOM 0 HE ARG A 10 -8.276 -9.124 -0.554 1.00 4.44 H new ATOM 0 HH11 ARG A 10 -11.622 -9.084 0.642 1.00 65.15 H new ATOM 0 HH12 ARG A 10 -11.297 -10.361 1.819 1.00 65.15 H new ATOM 0 HH21 ARG A 10 -7.890 -10.671 0.909 1.00 13.43 H new ATOM 0 HH22 ARG A 10 -9.170 -11.266 1.972 1.00 13.43 H new ATOM 161 N ARG A 11 -11.880 -7.601 -5.404 1.00 53.32 N ATOM 162 CA ARG A 11 -12.618 -6.453 -5.928 1.00 23.34 C ATOM 163 C ARG A 11 -11.982 -6.149 -7.277 1.00 53.33 C ATOM 164 O ARG A 11 -10.849 -5.636 -7.298 1.00 33.43 O ATOM 165 CB ARG A 11 -12.510 -5.217 -5.007 1.00 74.51 C ATOM 166 CG ARG A 11 -13.356 -5.204 -3.723 1.00 24.12 C ATOM 167 CD ARG A 11 -12.679 -5.814 -2.489 1.00 31.24 C ATOM 168 NE ARG A 11 -13.405 -5.479 -1.255 1.00 12.20 N ATOM 169 CZ ARG A 11 -14.616 -5.943 -0.923 1.00 22.31 C ATOM 170 NH1 ARG A 11 -15.199 -6.872 -1.677 1.00 3.11 N ATOM 171 NH2 ARG A 11 -15.221 -5.480 0.158 1.00 13.43 N ATOM 0 H ARG A 11 -10.896 -7.596 -5.673 1.00 53.32 H new ATOM 0 HA ARG A 11 -13.681 -6.683 -6.001 1.00 23.34 H new ATOM 0 HB2 ARG A 11 -11.465 -5.103 -4.720 1.00 74.51 H new ATOM 0 HB3 ARG A 11 -12.777 -4.338 -5.593 1.00 74.51 H new ATOM 0 HG2 ARG A 11 -13.628 -4.173 -3.496 1.00 24.12 H new ATOM 0 HG3 ARG A 11 -14.284 -5.744 -3.913 1.00 24.12 H new ATOM 0 HD2 ARG A 11 -12.627 -6.897 -2.599 1.00 31.24 H new ATOM 0 HD3 ARG A 11 -11.653 -5.451 -2.419 1.00 31.24 H new ATOM 0 HE ARG A 11 -12.950 -4.843 -0.600 1.00 12.20 H new ATOM 0 HH11 ARG A 11 -14.723 -7.229 -2.506 1.00 3.11 H new ATOM 0 HH12 ARG A 11 -16.122 -7.227 -1.426 1.00 3.11 H new ATOM 0 HH21 ARG A 11 -14.765 -4.773 0.734 1.00 13.43 H new ATOM 0 HH22 ARG A 11 -16.144 -5.830 0.415 1.00 13.43 H new ATOM 185 N THR A 12 -12.681 -6.480 -8.362 1.00 73.33 N ATOM 186 CA THR A 12 -12.238 -6.264 -9.737 1.00 13.03 C ATOM 187 C THR A 12 -12.132 -4.775 -10.026 1.00 24.54 C ATOM 188 O THR A 12 -12.571 -3.975 -9.212 1.00 22.44 O ATOM 189 CB THR A 12 -13.163 -6.981 -10.726 1.00 54.02 C ATOM 190 OG1 THR A 12 -12.441 -7.327 -11.888 1.00 34.20 O ATOM 191 CG2 THR A 12 -14.403 -6.189 -11.157 1.00 50.15 C ATOM 0 H THR A 12 -13.600 -6.920 -8.305 1.00 73.33 H new ATOM 0 HA THR A 12 -11.245 -6.695 -9.863 1.00 13.03 H new ATOM 0 HB THR A 12 -13.525 -7.854 -10.184 1.00 54.02 H new ATOM 0 HG1 THR A 12 -13.035 -7.787 -12.517 1.00 34.20 H new ATOM 0 HG21 THR A 12 -14.990 -6.784 -11.856 1.00 50.15 H new ATOM 0 HG22 THR A 12 -15.009 -5.956 -10.281 1.00 50.15 H new ATOM 0 HG23 THR A 12 -14.093 -5.263 -11.640 1.00 50.15 H new ATOM 199 N PHE A 13 -11.565 -4.408 -11.176 1.00 13.44 N ATOM 200 CA PHE A 13 -11.371 -3.031 -11.612 1.00 10.40 C ATOM 201 C PHE A 13 -12.578 -2.136 -11.317 1.00 34.34 C ATOM 202 O PHE A 13 -12.377 -1.109 -10.697 1.00 13.12 O ATOM 203 CB PHE A 13 -11.016 -3.008 -13.102 1.00 72.14 C ATOM 204 CG PHE A 13 -10.465 -1.682 -13.607 1.00 51.45 C ATOM 205 CD1 PHE A 13 -11.264 -0.518 -13.662 1.00 41.13 C ATOM 206 CD2 PHE A 13 -9.129 -1.614 -14.044 1.00 71.45 C ATOM 207 CE1 PHE A 13 -10.727 0.691 -14.137 1.00 71.45 C ATOM 208 CE2 PHE A 13 -8.596 -0.412 -14.537 1.00 3.00 C ATOM 209 CZ PHE A 13 -9.393 0.744 -14.574 1.00 51.15 C ATOM 0 H PHE A 13 -11.217 -5.089 -11.851 1.00 13.44 H new ATOM 0 HA PHE A 13 -10.544 -2.617 -11.035 1.00 10.40 H new ATOM 0 HB2 PHE A 13 -10.281 -3.789 -13.298 1.00 72.14 H new ATOM 0 HB3 PHE A 13 -11.908 -3.258 -13.677 1.00 72.14 H new ATOM 0 HD1 PHE A 13 -12.293 -0.557 -13.337 1.00 41.13 H new ATOM 0 HD2 PHE A 13 -8.507 -2.496 -14.000 1.00 71.45 H new ATOM 0 HE1 PHE A 13 -11.340 1.580 -14.166 1.00 71.45 H new ATOM 0 HE2 PHE A 13 -7.575 -0.376 -14.887 1.00 3.00 H new ATOM 0 HZ PHE A 13 -8.980 1.673 -14.938 1.00 51.15 H new ATOM 219 N GLU A 14 -13.811 -2.500 -11.694 1.00 71.42 N ATOM 220 CA GLU A 14 -15.000 -1.667 -11.440 1.00 30.34 C ATOM 221 C GLU A 14 -15.160 -1.376 -9.941 1.00 63.22 C ATOM 222 O GLU A 14 -15.316 -0.232 -9.502 1.00 70.52 O ATOM 223 CB GLU A 14 -16.238 -2.395 -11.972 1.00 52.45 C ATOM 224 CG GLU A 14 -16.270 -2.465 -13.505 1.00 4.41 C ATOM 225 CD GLU A 14 -16.516 -3.895 -13.964 1.00 34.33 C ATOM 226 OE1 GLU A 14 -17.696 -4.310 -14.069 1.00 3.40 O ATOM 227 OE2 GLU A 14 -15.517 -4.617 -14.173 1.00 24.34 O ATOM 0 H GLU A 14 -14.014 -3.373 -12.180 1.00 71.42 H new ATOM 0 HA GLU A 14 -14.881 -0.712 -11.952 1.00 30.34 H new ATOM 0 HB2 GLU A 14 -16.263 -3.406 -11.565 1.00 52.45 H new ATOM 0 HB3 GLU A 14 -17.134 -1.887 -11.617 1.00 52.45 H new ATOM 0 HG2 GLU A 14 -17.054 -1.813 -13.889 1.00 4.41 H new ATOM 0 HG3 GLU A 14 -15.326 -2.103 -13.912 1.00 4.41 H new ATOM 234 N GLN A 15 -15.132 -2.430 -9.130 1.00 61.34 N ATOM 235 CA GLN A 15 -15.250 -2.318 -7.690 1.00 23.11 C ATOM 236 C GLN A 15 -14.008 -1.613 -7.117 1.00 72.31 C ATOM 237 O GLN A 15 -14.083 -0.990 -6.071 1.00 42.05 O ATOM 238 CB GLN A 15 -15.501 -3.711 -7.088 1.00 24.34 C ATOM 239 CG GLN A 15 -15.738 -3.697 -5.569 1.00 43.04 C ATOM 240 CD GLN A 15 -16.883 -2.790 -5.142 1.00 44.24 C ATOM 241 OE1 GLN A 15 -18.047 -3.075 -5.408 1.00 72.55 O ATOM 242 NE2 GLN A 15 -16.585 -1.673 -4.509 1.00 30.54 N ATOM 0 H GLN A 15 -15.026 -3.389 -9.461 1.00 61.34 H new ATOM 0 HA GLN A 15 -16.105 -1.699 -7.419 1.00 23.11 H new ATOM 0 HB2 GLN A 15 -16.367 -4.157 -7.577 1.00 24.34 H new ATOM 0 HB3 GLN A 15 -14.646 -4.351 -7.307 1.00 24.34 H new ATOM 0 HG2 GLN A 15 -15.945 -4.713 -5.232 1.00 43.04 H new ATOM 0 HG3 GLN A 15 -14.824 -3.375 -5.070 1.00 43.04 H new ATOM 0 HE21 GLN A 15 -15.612 -1.452 -4.296 1.00 30.54 H new ATOM 0 HE22 GLN A 15 -17.327 -1.030 -4.232 1.00 30.54 H new ATOM 251 N ARG A 16 -12.836 -1.738 -7.738 1.00 11.20 N ATOM 252 CA ARG A 16 -11.579 -1.142 -7.306 1.00 33.23 C ATOM 253 C ARG A 16 -11.574 0.357 -7.539 1.00 41.41 C ATOM 254 O ARG A 16 -11.306 1.086 -6.589 1.00 14.23 O ATOM 255 CB ARG A 16 -10.425 -1.844 -8.015 1.00 2.43 C ATOM 256 CG ARG A 16 -9.077 -1.527 -7.357 1.00 50.43 C ATOM 257 CD ARG A 16 -8.230 -2.802 -7.328 1.00 51.14 C ATOM 258 NE ARG A 16 -8.714 -3.716 -6.278 1.00 32.21 N ATOM 259 CZ ARG A 16 -8.548 -3.473 -4.973 1.00 3.40 C ATOM 260 NH1 ARG A 16 -7.710 -2.522 -4.566 1.00 63.31 N ATOM 261 NH2 ARG A 16 -9.197 -4.198 -4.076 1.00 2.00 N ATOM 0 H ARG A 16 -12.736 -2.283 -8.594 1.00 11.20 H new ATOM 0 HA ARG A 16 -11.458 -1.281 -6.232 1.00 33.23 H new ATOM 0 HB2 ARG A 16 -10.592 -2.921 -8.002 1.00 2.43 H new ATOM 0 HB3 ARG A 16 -10.400 -1.538 -9.061 1.00 2.43 H new ATOM 0 HG2 ARG A 16 -8.561 -0.744 -7.912 1.00 50.43 H new ATOM 0 HG3 ARG A 16 -9.230 -1.152 -6.345 1.00 50.43 H new ATOM 0 HD2 ARG A 16 -8.273 -3.297 -8.298 1.00 51.14 H new ATOM 0 HD3 ARG A 16 -7.186 -2.549 -7.145 1.00 51.14 H new ATOM 0 HE ARG A 16 -9.196 -4.570 -6.558 1.00 32.21 H new ATOM 0 HH11 ARG A 16 -7.190 -1.973 -5.251 1.00 63.31 H new ATOM 0 HH12 ARG A 16 -7.588 -2.342 -3.569 1.00 63.31 H new ATOM 0 HH21 ARG A 16 -9.824 -4.943 -4.379 1.00 2.00 H new ATOM 0 HH22 ARG A 16 -9.070 -4.012 -3.081 1.00 2.00 H new ATOM 275 N VAL A 17 -11.910 0.823 -8.743 1.00 33.54 N ATOM 276 CA VAL A 17 -11.970 2.245 -9.042 1.00 31.14 C ATOM 277 C VAL A 17 -13.010 2.832 -8.067 1.00 63.45 C ATOM 278 O VAL A 17 -12.768 3.901 -7.495 1.00 14.03 O ATOM 279 CB VAL A 17 -12.194 2.458 -10.558 1.00 72.34 C ATOM 280 CG1 VAL A 17 -13.525 1.954 -11.108 1.00 30.43 C ATOM 281 CG2 VAL A 17 -12.085 3.918 -10.991 1.00 65.21 C ATOM 0 H VAL A 17 -12.147 0.223 -9.533 1.00 33.54 H new ATOM 0 HA VAL A 17 -11.043 2.792 -8.873 1.00 31.14 H new ATOM 0 HB VAL A 17 -11.385 1.856 -10.972 1.00 72.34 H new ATOM 0 HG11 VAL A 17 -13.576 2.154 -12.178 1.00 30.43 H new ATOM 0 HG12 VAL A 17 -13.607 0.881 -10.935 1.00 30.43 H new ATOM 0 HG13 VAL A 17 -14.344 2.466 -10.604 1.00 30.43 H new ATOM 0 HG21 VAL A 17 -12.253 3.992 -12.065 1.00 65.21 H new ATOM 0 HG22 VAL A 17 -12.833 4.510 -10.465 1.00 65.21 H new ATOM 0 HG23 VAL A 17 -11.090 4.295 -10.753 1.00 65.21 H new ATOM 291 N GLU A 18 -14.101 2.090 -7.799 1.00 51.11 N ATOM 292 CA GLU A 18 -15.143 2.486 -6.863 1.00 21.20 C ATOM 293 C GLU A 18 -14.580 2.495 -5.431 1.00 12.23 C ATOM 294 O GLU A 18 -14.894 3.400 -4.664 1.00 4.02 O ATOM 295 CB GLU A 18 -16.333 1.528 -6.971 1.00 23.22 C ATOM 296 CG GLU A 18 -17.403 1.772 -5.897 1.00 73.23 C ATOM 297 CD GLU A 18 -18.478 0.698 -5.942 1.00 31.20 C ATOM 298 OE1 GLU A 18 -19.068 0.484 -7.024 1.00 31.51 O ATOM 299 OE2 GLU A 18 -18.740 0.059 -4.894 1.00 21.31 O ATOM 0 H GLU A 18 -14.276 1.187 -8.239 1.00 51.11 H new ATOM 0 HA GLU A 18 -15.486 3.491 -7.108 1.00 21.20 H new ATOM 0 HB2 GLU A 18 -16.786 1.631 -7.957 1.00 23.22 H new ATOM 0 HB3 GLU A 18 -15.974 0.502 -6.891 1.00 23.22 H new ATOM 0 HG2 GLU A 18 -16.937 1.784 -4.911 1.00 73.23 H new ATOM 0 HG3 GLU A 18 -17.857 2.752 -6.047 1.00 73.23 H new ATOM 306 N ASP A 19 -13.744 1.525 -5.050 1.00 32.54 N ATOM 307 CA ASP A 19 -13.153 1.447 -3.714 1.00 0.23 C ATOM 308 C ASP A 19 -12.324 2.699 -3.487 1.00 3.34 C ATOM 309 O ASP A 19 -12.342 3.256 -2.394 1.00 42.24 O ATOM 310 CB ASP A 19 -12.204 0.241 -3.494 1.00 50.11 C ATOM 311 CG ASP A 19 -12.812 -1.145 -3.278 1.00 5.00 C ATOM 312 OD1 ASP A 19 -14.040 -1.262 -3.065 1.00 64.44 O ATOM 313 OD2 ASP A 19 -11.989 -2.100 -3.244 1.00 63.14 O ATOM 0 H ASP A 19 -13.457 0.765 -5.667 1.00 32.54 H new ATOM 0 HA ASP A 19 -13.990 1.336 -3.024 1.00 0.23 H new ATOM 0 HB2 ASP A 19 -11.542 0.180 -4.358 1.00 50.11 H new ATOM 0 HB3 ASP A 19 -11.580 0.466 -2.629 1.00 50.11 H new ATOM 318 N VAL A 20 -11.567 3.137 -4.497 1.00 21.50 N ATOM 319 CA VAL A 20 -10.740 4.326 -4.405 1.00 64.22 C ATOM 320 C VAL A 20 -11.625 5.529 -4.144 1.00 55.31 C ATOM 321 O VAL A 20 -11.476 6.156 -3.101 1.00 32.12 O ATOM 322 CB VAL A 20 -9.833 4.480 -5.638 1.00 31.32 C ATOM 323 CG1 VAL A 20 -8.959 5.729 -5.514 1.00 35.22 C ATOM 324 CG2 VAL A 20 -8.861 3.315 -5.802 1.00 63.43 C ATOM 0 H VAL A 20 -11.516 2.669 -5.402 1.00 21.50 H new ATOM 0 HA VAL A 20 -10.054 4.236 -3.563 1.00 64.22 H new ATOM 0 HB VAL A 20 -10.512 4.531 -6.489 1.00 31.32 H new ATOM 0 HG11 VAL A 20 -8.325 5.819 -6.396 1.00 35.22 H new ATOM 0 HG12 VAL A 20 -9.594 6.611 -5.432 1.00 35.22 H new ATOM 0 HG13 VAL A 20 -8.334 5.649 -4.625 1.00 35.22 H new ATOM 0 HG21 VAL A 20 -8.246 3.476 -6.687 1.00 63.43 H new ATOM 0 HG22 VAL A 20 -8.221 3.249 -4.922 1.00 63.43 H new ATOM 0 HG23 VAL A 20 -9.421 2.387 -5.913 1.00 63.43 H new ATOM 334 N ARG A 21 -12.550 5.859 -5.042 1.00 53.42 N ATOM 335 CA ARG A 21 -13.427 7.017 -4.855 1.00 33.12 C ATOM 336 C ARG A 21 -14.217 6.946 -3.534 1.00 62.51 C ATOM 337 O ARG A 21 -14.373 7.974 -2.873 1.00 4.20 O ATOM 338 CB ARG A 21 -14.256 7.250 -6.129 1.00 51.12 C ATOM 339 CG ARG A 21 -15.104 6.049 -6.550 1.00 33.41 C ATOM 340 CD ARG A 21 -16.531 6.100 -6.019 1.00 2.02 C ATOM 341 NE ARG A 21 -17.388 6.772 -7.000 1.00 0.23 N ATOM 342 CZ ARG A 21 -18.312 6.189 -7.763 1.00 60.44 C ATOM 343 NH1 ARG A 21 -18.719 4.949 -7.517 1.00 11.42 N ATOM 344 NH2 ARG A 21 -18.818 6.841 -8.793 1.00 12.20 N ATOM 0 H ARG A 21 -12.713 5.343 -5.906 1.00 53.42 H new ATOM 0 HA ARG A 21 -12.830 7.920 -4.725 1.00 33.12 H new ATOM 0 HB2 ARG A 21 -14.911 8.107 -5.972 1.00 51.12 H new ATOM 0 HB3 ARG A 21 -13.582 7.510 -6.946 1.00 51.12 H new ATOM 0 HG2 ARG A 21 -15.131 5.996 -7.638 1.00 33.41 H new ATOM 0 HG3 ARG A 21 -14.626 5.135 -6.198 1.00 33.41 H new ATOM 0 HD2 ARG A 21 -16.897 5.091 -5.829 1.00 2.02 H new ATOM 0 HD3 ARG A 21 -16.559 6.633 -5.069 1.00 2.02 H new ATOM 0 HE ARG A 21 -17.266 7.779 -7.109 1.00 0.23 H new ATOM 0 HH11 ARG A 21 -18.323 4.428 -6.734 1.00 11.42 H new ATOM 0 HH12 ARG A 21 -19.427 4.517 -8.111 1.00 11.42 H new ATOM 0 HH21 ARG A 21 -18.502 7.788 -9.003 1.00 12.20 H new ATOM 0 HH22 ARG A 21 -19.525 6.398 -9.379 1.00 12.20 H new ATOM 358 N LEU A 22 -14.677 5.766 -3.094 1.00 52.12 N ATOM 359 CA LEU A 22 -15.405 5.646 -1.826 1.00 72.55 C ATOM 360 C LEU A 22 -14.448 6.033 -0.700 1.00 73.31 C ATOM 361 O LEU A 22 -14.773 6.869 0.138 1.00 60.13 O ATOM 362 CB LEU A 22 -15.966 4.224 -1.599 1.00 54.11 C ATOM 363 CG LEU A 22 -17.485 4.078 -1.828 1.00 4.13 C ATOM 364 CD1 LEU A 22 -18.297 4.845 -0.778 1.00 72.32 C ATOM 365 CD2 LEU A 22 -17.922 4.530 -3.223 1.00 1.31 C ATOM 0 H LEU A 22 -14.558 4.886 -3.596 1.00 52.12 H new ATOM 0 HA LEU A 22 -16.268 6.311 -1.848 1.00 72.55 H new ATOM 0 HB2 LEU A 22 -15.446 3.534 -2.263 1.00 54.11 H new ATOM 0 HB3 LEU A 22 -15.737 3.918 -0.578 1.00 54.11 H new ATOM 0 HG LEU A 22 -17.688 3.011 -1.734 1.00 4.13 H new ATOM 0 HD11 LEU A 22 -19.361 4.716 -0.976 1.00 72.32 H new ATOM 0 HD12 LEU A 22 -18.063 4.461 0.215 1.00 72.32 H new ATOM 0 HD13 LEU A 22 -18.045 5.904 -0.826 1.00 72.32 H new ATOM 0 HD21 LEU A 22 -19.000 4.404 -3.325 1.00 1.31 H new ATOM 0 HD22 LEU A 22 -17.665 5.580 -3.363 1.00 1.31 H new ATOM 0 HD23 LEU A 22 -17.413 3.928 -3.976 1.00 1.31 H new ATOM 377 N ILE A 23 -13.245 5.460 -0.685 1.00 41.04 N ATOM 378 CA ILE A 23 -12.218 5.747 0.312 1.00 11.00 C ATOM 379 C ILE A 23 -11.822 7.231 0.231 1.00 35.12 C ATOM 380 O ILE A 23 -11.479 7.831 1.248 1.00 54.04 O ATOM 381 CB ILE A 23 -11.075 4.730 0.132 1.00 23.14 C ATOM 382 CG1 ILE A 23 -11.536 3.333 0.612 1.00 1.42 C ATOM 383 CG2 ILE A 23 -9.756 5.106 0.805 1.00 60.21 C ATOM 384 CD1 ILE A 23 -11.596 3.118 2.133 1.00 35.21 C ATOM 0 H ILE A 23 -12.953 4.771 -1.378 1.00 41.04 H new ATOM 0 HA ILE A 23 -12.573 5.617 1.334 1.00 11.00 H new ATOM 0 HB ILE A 23 -10.858 4.726 -0.936 1.00 23.14 H new ATOM 0 HG12 ILE A 23 -12.527 3.140 0.200 1.00 1.42 H new ATOM 0 HG13 ILE A 23 -10.864 2.587 0.188 1.00 1.42 H new ATOM 0 HG21 ILE A 23 -9.017 4.326 0.619 1.00 60.21 H new ATOM 0 HG22 ILE A 23 -9.396 6.051 0.398 1.00 60.21 H new ATOM 0 HG23 ILE A 23 -9.912 5.209 1.879 1.00 60.21 H new ATOM 0 HD11 ILE A 23 -11.932 2.103 2.344 1.00 35.21 H new ATOM 0 HD12 ILE A 23 -10.605 3.269 2.561 1.00 35.21 H new ATOM 0 HD13 ILE A 23 -12.294 3.830 2.574 1.00 35.21 H new ATOM 396 N ARG A 24 -11.897 7.863 -0.941 1.00 52.03 N ATOM 397 CA ARG A 24 -11.578 9.278 -1.123 1.00 73.31 C ATOM 398 C ARG A 24 -12.705 10.133 -0.546 1.00 24.43 C ATOM 399 O ARG A 24 -12.446 11.258 -0.137 1.00 35.24 O ATOM 400 CB ARG A 24 -11.348 9.589 -2.608 1.00 14.30 C ATOM 401 CG ARG A 24 -10.169 8.808 -3.217 1.00 24.31 C ATOM 402 CD ARG A 24 -8.947 9.671 -3.472 1.00 41.34 C ATOM 403 NE ARG A 24 -8.385 10.191 -2.216 1.00 53.24 N ATOM 404 CZ ARG A 24 -8.259 11.486 -1.887 1.00 71.22 C ATOM 405 NH1 ARG A 24 -8.771 12.423 -2.678 1.00 11.40 N ATOM 406 NH2 ARG A 24 -7.630 11.835 -0.772 1.00 14.00 N ATOM 0 H ARG A 24 -12.185 7.399 -1.802 1.00 52.03 H new ATOM 0 HA ARG A 24 -10.656 9.513 -0.591 1.00 73.31 H new ATOM 0 HB2 ARG A 24 -12.255 9.357 -3.166 1.00 14.30 H new ATOM 0 HB3 ARG A 24 -11.166 10.657 -2.725 1.00 14.30 H new ATOM 0 HG2 ARG A 24 -9.897 7.993 -2.546 1.00 24.31 H new ATOM 0 HG3 ARG A 24 -10.488 8.355 -4.156 1.00 24.31 H new ATOM 0 HD2 ARG A 24 -8.191 9.087 -3.997 1.00 41.34 H new ATOM 0 HD3 ARG A 24 -9.216 10.502 -4.123 1.00 41.34 H new ATOM 0 HE ARG A 24 -8.062 9.505 -1.533 1.00 53.24 H new ATOM 0 HH11 ARG A 24 -9.259 12.157 -3.534 1.00 11.40 H new ATOM 0 HH12 ARG A 24 -8.676 13.408 -2.430 1.00 11.40 H new ATOM 0 HH21 ARG A 24 -7.240 11.118 -0.161 1.00 14.00 H new ATOM 0 HH22 ARG A 24 -7.537 12.821 -0.526 1.00 14.00 H new ATOM 420 N GLU A 25 -13.933 9.622 -0.477 1.00 54.22 N ATOM 421 CA GLU A 25 -15.079 10.338 0.075 1.00 55.21 C ATOM 422 C GLU A 25 -15.062 10.314 1.607 1.00 61.45 C ATOM 423 O GLU A 25 -15.355 11.330 2.237 1.00 40.14 O ATOM 424 CB GLU A 25 -16.380 9.705 -0.435 1.00 54.04 C ATOM 425 CG GLU A 25 -16.833 10.307 -1.760 1.00 21.24 C ATOM 426 CD GLU A 25 -17.600 11.598 -1.493 1.00 63.33 C ATOM 427 OE1 GLU A 25 -16.980 12.677 -1.366 1.00 20.50 O ATOM 428 OE2 GLU A 25 -18.848 11.519 -1.405 1.00 4.31 O ATOM 0 H GLU A 25 -14.162 8.685 -0.808 1.00 54.22 H new ATOM 0 HA GLU A 25 -15.020 11.376 -0.252 1.00 55.21 H new ATOM 0 HB2 GLU A 25 -16.236 8.631 -0.556 1.00 54.04 H new ATOM 0 HB3 GLU A 25 -17.164 9.840 0.310 1.00 54.04 H new ATOM 0 HG2 GLU A 25 -15.970 10.508 -2.395 1.00 21.24 H new ATOM 0 HG3 GLU A 25 -17.465 9.599 -2.296 1.00 21.24 H new ATOM 435 N GLN A 26 -14.737 9.172 2.223 1.00 15.22 N ATOM 436 CA GLN A 26 -14.684 9.030 3.687 1.00 64.33 C ATOM 437 C GLN A 26 -13.328 9.453 4.264 1.00 73.15 C ATOM 438 O GLN A 26 -13.260 9.934 5.397 1.00 11.30 O ATOM 439 CB GLN A 26 -15.049 7.597 4.109 1.00 75.31 C ATOM 440 CG GLN A 26 -14.145 6.532 3.496 1.00 55.12 C ATOM 441 CD GLN A 26 -14.629 5.122 3.808 1.00 60.12 C ATOM 442 OE1 GLN A 26 -15.468 4.563 3.106 1.00 0.30 O ATOM 443 NE2 GLN A 26 -14.088 4.525 4.852 1.00 72.34 N ATOM 0 H GLN A 26 -14.502 8.316 1.721 1.00 15.22 H new ATOM 0 HA GLN A 26 -15.427 9.710 4.105 1.00 64.33 H new ATOM 0 HB2 GLN A 26 -14.999 7.523 5.195 1.00 75.31 H new ATOM 0 HB3 GLN A 26 -16.081 7.394 3.823 1.00 75.31 H new ATOM 0 HG2 GLN A 26 -14.104 6.670 2.416 1.00 55.12 H new ATOM 0 HG3 GLN A 26 -13.130 6.658 3.872 1.00 55.12 H new ATOM 0 HE21 GLN A 26 -13.394 5.015 5.416 1.00 72.34 H new ATOM 0 HE22 GLN A 26 -14.364 3.574 5.095 1.00 72.34 H new ATOM 452 N HIS A 27 -12.247 9.314 3.489 1.00 74.15 N ATOM 453 CA HIS A 27 -10.895 9.677 3.895 1.00 61.11 C ATOM 454 C HIS A 27 -10.246 10.586 2.823 1.00 43.21 C ATOM 455 O HIS A 27 -9.211 10.227 2.248 1.00 33.32 O ATOM 456 CB HIS A 27 -10.070 8.410 4.205 1.00 12.01 C ATOM 457 CG HIS A 27 -10.683 7.423 5.178 1.00 71.41 C ATOM 458 ND1 HIS A 27 -11.048 7.654 6.488 1.00 3.14 N ATOM 459 CD2 HIS A 27 -10.972 6.112 4.906 1.00 61.35 C ATOM 460 CE1 HIS A 27 -11.537 6.503 6.986 1.00 11.24 C ATOM 461 NE2 HIS A 27 -11.528 5.539 6.052 1.00 64.43 N ATOM 0 H HIS A 27 -12.294 8.937 2.542 1.00 74.15 H new ATOM 0 HA HIS A 27 -10.926 10.256 4.818 1.00 61.11 H new ATOM 0 HB2 HIS A 27 -9.879 7.890 3.266 1.00 12.01 H new ATOM 0 HB3 HIS A 27 -9.103 8.721 4.599 1.00 12.01 H new ATOM 0 HD1 HIS A 27 -10.963 8.538 6.989 1.00 3.14 H new ATOM 0 HD2 HIS A 27 -10.800 5.608 3.967 1.00 61.35 H new ATOM 0 HE1 HIS A 27 -11.889 6.373 7.999 1.00 11.24 H new ATOM 469 N PRO A 28 -10.793 11.790 2.552 1.00 60.11 N ATOM 470 CA PRO A 28 -10.281 12.734 1.550 1.00 63.42 C ATOM 471 C PRO A 28 -8.902 13.325 1.858 1.00 53.14 C ATOM 472 O PRO A 28 -8.322 13.975 0.983 1.00 55.03 O ATOM 473 CB PRO A 28 -11.333 13.842 1.427 1.00 34.43 C ATOM 474 CG PRO A 28 -12.073 13.788 2.757 1.00 61.25 C ATOM 475 CD PRO A 28 -11.997 12.324 3.160 1.00 15.33 C ATOM 0 HA PRO A 28 -10.125 12.193 0.617 1.00 63.42 H new ATOM 0 HB2 PRO A 28 -10.871 14.816 1.265 1.00 34.43 H new ATOM 0 HB3 PRO A 28 -12.005 13.664 0.587 1.00 34.43 H new ATOM 0 HG2 PRO A 28 -11.604 14.432 3.501 1.00 61.25 H new ATOM 0 HG3 PRO A 28 -13.106 14.120 2.653 1.00 61.25 H new ATOM 0 HD2 PRO A 28 -11.962 12.222 4.245 1.00 15.33 H new ATOM 0 HD3 PRO A 28 -12.878 11.781 2.817 1.00 15.33 H new ATOM 483 N THR A 29 -8.367 13.089 3.054 1.00 22.54 N ATOM 484 CA THR A 29 -7.064 13.557 3.519 1.00 1.24 C ATOM 485 C THR A 29 -6.017 12.427 3.501 1.00 4.00 C ATOM 486 O THR A 29 -4.856 12.627 3.877 1.00 54.22 O ATOM 487 CB THR A 29 -7.260 14.134 4.933 1.00 64.33 C ATOM 488 OG1 THR A 29 -8.128 13.304 5.687 1.00 24.41 O ATOM 489 CG2 THR A 29 -7.903 15.518 4.871 1.00 11.42 C ATOM 0 H THR A 29 -8.855 12.538 3.760 1.00 22.54 H new ATOM 0 HA THR A 29 -6.678 14.328 2.852 1.00 1.24 H new ATOM 0 HB THR A 29 -6.276 14.193 5.397 1.00 64.33 H new ATOM 0 HG1 THR A 29 -8.243 13.681 6.584 1.00 24.41 H new ATOM 0 HG21 THR A 29 -8.031 15.905 5.882 1.00 11.42 H new ATOM 0 HG22 THR A 29 -7.262 16.192 4.303 1.00 11.42 H new ATOM 0 HG23 THR A 29 -8.875 15.446 4.384 1.00 11.42 H new ATOM 497 N LYS A 30 -6.407 11.230 3.043 1.00 62.44 N ATOM 498 CA LYS A 30 -5.544 10.061 2.943 1.00 63.42 C ATOM 499 C LYS A 30 -5.411 9.695 1.474 1.00 61.22 C ATOM 500 O LYS A 30 -6.365 9.834 0.707 1.00 14.01 O ATOM 501 CB LYS A 30 -6.127 8.884 3.737 1.00 24.51 C ATOM 502 CG LYS A 30 -6.084 9.002 5.270 1.00 14.00 C ATOM 503 CD LYS A 30 -4.644 9.223 5.747 1.00 55.33 C ATOM 504 CE LYS A 30 -4.352 8.914 7.213 1.00 35.24 C ATOM 505 NZ LYS A 30 -5.266 9.600 8.145 1.00 13.33 N ATOM 0 H LYS A 30 -7.359 11.050 2.725 1.00 62.44 H new ATOM 0 HA LYS A 30 -4.565 10.288 3.364 1.00 63.42 H new ATOM 0 HB2 LYS A 30 -7.165 8.749 3.434 1.00 24.51 H new ATOM 0 HB3 LYS A 30 -5.591 7.980 3.449 1.00 24.51 H new ATOM 0 HG2 LYS A 30 -6.713 9.830 5.595 1.00 14.00 H new ATOM 0 HG3 LYS A 30 -6.489 8.097 5.723 1.00 14.00 H new ATOM 0 HD2 LYS A 30 -3.984 8.611 5.132 1.00 55.33 H new ATOM 0 HD3 LYS A 30 -4.379 10.264 5.559 1.00 55.33 H new ATOM 0 HE2 LYS A 30 -4.422 7.838 7.372 1.00 35.24 H new ATOM 0 HE3 LYS A 30 -3.326 9.204 7.441 1.00 35.24 H new ATOM 0 HZ1 LYS A 30 -4.814 9.681 9.078 1.00 13.33 H new ATOM 0 HZ2 LYS A 30 -5.483 10.550 7.782 1.00 13.33 H new ATOM 0 HZ3 LYS A 30 -6.146 9.053 8.233 1.00 13.33 H new ATOM 519 N ILE A 31 -4.271 9.133 1.098 1.00 1.22 N ATOM 520 CA ILE A 31 -3.921 8.713 -0.244 1.00 64.25 C ATOM 521 C ILE A 31 -3.928 7.173 -0.267 1.00 63.55 C ATOM 522 O ILE A 31 -3.175 6.563 0.500 1.00 63.45 O ATOM 523 CB ILE A 31 -2.560 9.338 -0.625 1.00 44.21 C ATOM 524 CG1 ILE A 31 -2.591 10.889 -0.632 1.00 23.51 C ATOM 525 CG2 ILE A 31 -2.072 8.834 -1.984 1.00 15.40 C ATOM 526 CD1 ILE A 31 -3.590 11.531 -1.604 1.00 44.41 C ATOM 0 H ILE A 31 -3.522 8.949 1.766 1.00 1.22 H new ATOM 0 HA ILE A 31 -4.635 9.057 -0.992 1.00 64.25 H new ATOM 0 HB ILE A 31 -1.863 9.019 0.150 1.00 44.21 H new ATOM 0 HG12 ILE A 31 -2.821 11.234 0.376 1.00 23.51 H new ATOM 0 HG13 ILE A 31 -1.592 11.253 -0.874 1.00 23.51 H new ATOM 0 HG21 ILE A 31 -1.112 9.294 -2.220 1.00 15.40 H new ATOM 0 HG22 ILE A 31 -1.956 7.751 -1.950 1.00 15.40 H new ATOM 0 HG23 ILE A 31 -2.799 9.097 -2.752 1.00 15.40 H new ATOM 0 HD11 ILE A 31 -3.527 12.616 -1.526 1.00 44.41 H new ATOM 0 HD12 ILE A 31 -3.353 11.226 -2.623 1.00 44.41 H new ATOM 0 HD13 ILE A 31 -4.600 11.207 -1.354 1.00 44.41 H new ATOM 538 N PRO A 32 -4.767 6.537 -1.107 1.00 41.13 N ATOM 539 CA PRO A 32 -4.881 5.086 -1.236 1.00 72.24 C ATOM 540 C PRO A 32 -3.747 4.450 -2.067 1.00 51.43 C ATOM 541 O PRO A 32 -3.652 4.615 -3.296 1.00 33.44 O ATOM 542 CB PRO A 32 -6.245 4.857 -1.880 1.00 15.44 C ATOM 543 CG PRO A 32 -6.542 6.132 -2.667 1.00 2.02 C ATOM 544 CD PRO A 32 -5.691 7.207 -2.012 1.00 33.51 C ATOM 0 HA PRO A 32 -4.790 4.605 -0.262 1.00 72.24 H new ATOM 0 HB2 PRO A 32 -6.229 3.986 -2.535 1.00 15.44 H new ATOM 0 HB3 PRO A 32 -7.010 4.674 -1.125 1.00 15.44 H new ATOM 0 HG2 PRO A 32 -6.287 6.014 -3.720 1.00 2.02 H new ATOM 0 HG3 PRO A 32 -7.601 6.386 -2.622 1.00 2.02 H new ATOM 0 HD2 PRO A 32 -5.146 7.777 -2.764 1.00 33.51 H new ATOM 0 HD3 PRO A 32 -6.317 7.914 -1.468 1.00 33.51 H new ATOM 552 N VAL A 33 -2.913 3.642 -1.409 1.00 71.23 N ATOM 553 CA VAL A 33 -1.782 2.964 -2.008 1.00 0.20 C ATOM 554 C VAL A 33 -1.840 1.452 -1.730 1.00 14.20 C ATOM 555 O VAL A 33 -2.405 1.014 -0.718 1.00 74.45 O ATOM 556 CB VAL A 33 -0.498 3.645 -1.486 1.00 42.02 C ATOM 557 CG1 VAL A 33 -0.534 5.184 -1.546 1.00 74.55 C ATOM 558 CG2 VAL A 33 -0.118 3.246 -0.052 1.00 41.42 C ATOM 0 H VAL A 33 -3.017 3.441 -0.414 1.00 71.23 H new ATOM 0 HA VAL A 33 -1.797 3.050 -3.095 1.00 0.20 H new ATOM 0 HB VAL A 33 0.258 3.274 -2.178 1.00 42.02 H new ATOM 0 HG11 VAL A 33 0.404 5.585 -1.162 1.00 74.55 H new ATOM 0 HG12 VAL A 33 -0.670 5.505 -2.579 1.00 74.55 H new ATOM 0 HG13 VAL A 33 -1.362 5.552 -0.940 1.00 74.55 H new ATOM 0 HG21 VAL A 33 0.794 3.766 0.241 1.00 41.42 H new ATOM 0 HG22 VAL A 33 -0.925 3.519 0.628 1.00 41.42 H new ATOM 0 HG23 VAL A 33 0.047 2.170 -0.006 1.00 41.42 H new ATOM 568 N ILE A 34 -1.294 0.658 -2.648 1.00 63.43 N ATOM 569 CA ILE A 34 -1.200 -0.793 -2.600 1.00 31.10 C ATOM 570 C ILE A 34 0.251 -1.082 -2.230 1.00 42.04 C ATOM 571 O ILE A 34 1.147 -0.605 -2.917 1.00 70.14 O ATOM 572 CB ILE A 34 -1.576 -1.409 -3.975 1.00 65.31 C ATOM 573 CG1 ILE A 34 -3.082 -1.313 -4.292 1.00 23.12 C ATOM 574 CG2 ILE A 34 -1.095 -2.861 -4.148 1.00 51.23 C ATOM 575 CD1 ILE A 34 -4.018 -2.054 -3.326 1.00 73.13 C ATOM 0 H ILE A 34 -0.880 1.039 -3.499 1.00 63.43 H new ATOM 0 HA ILE A 34 -1.889 -1.232 -1.878 1.00 31.10 H new ATOM 0 HB ILE A 34 -1.039 -0.793 -4.697 1.00 65.31 H new ATOM 0 HG12 ILE A 34 -3.365 -0.260 -4.306 1.00 23.12 H new ATOM 0 HG13 ILE A 34 -3.248 -1.701 -5.297 1.00 23.12 H new ATOM 0 HG21 ILE A 34 -1.392 -3.228 -5.131 1.00 51.23 H new ATOM 0 HG22 ILE A 34 -0.009 -2.898 -4.060 1.00 51.23 H new ATOM 0 HG23 ILE A 34 -1.543 -3.487 -3.376 1.00 51.23 H new ATOM 0 HD11 ILE A 34 -5.051 -1.918 -3.645 1.00 73.13 H new ATOM 0 HD12 ILE A 34 -3.775 -3.116 -3.327 1.00 73.13 H new ATOM 0 HD13 ILE A 34 -3.893 -1.654 -2.320 1.00 73.13 H new ATOM 587 N ILE A 35 0.490 -1.853 -1.172 1.00 12.00 N ATOM 588 CA ILE A 35 1.809 -2.247 -0.691 1.00 11.42 C ATOM 589 C ILE A 35 1.811 -3.763 -0.824 1.00 25.13 C ATOM 590 O ILE A 35 1.099 -4.446 -0.087 1.00 25.13 O ATOM 591 CB ILE A 35 2.040 -1.754 0.758 1.00 40.21 C ATOM 592 CG1 ILE A 35 1.984 -0.209 0.778 1.00 73.13 C ATOM 593 CG2 ILE A 35 3.356 -2.296 1.356 1.00 73.13 C ATOM 594 CD1 ILE A 35 2.426 0.441 2.094 1.00 75.24 C ATOM 0 H ILE A 35 -0.264 -2.236 -0.603 1.00 12.00 H new ATOM 0 HA ILE A 35 2.629 -1.804 -1.255 1.00 11.42 H new ATOM 0 HB ILE A 35 1.247 -2.146 1.395 1.00 40.21 H new ATOM 0 HG12 ILE A 35 2.613 0.172 -0.027 1.00 73.13 H new ATOM 0 HG13 ILE A 35 0.963 0.105 0.561 1.00 73.13 H new ATOM 0 HG21 ILE A 35 3.474 -1.923 2.373 1.00 73.13 H new ATOM 0 HG22 ILE A 35 3.328 -3.386 1.370 1.00 73.13 H new ATOM 0 HG23 ILE A 35 4.197 -1.963 0.747 1.00 73.13 H new ATOM 0 HD11 ILE A 35 2.351 1.525 2.008 1.00 75.24 H new ATOM 0 HD12 ILE A 35 1.783 0.096 2.904 1.00 75.24 H new ATOM 0 HD13 ILE A 35 3.459 0.165 2.307 1.00 75.24 H new ATOM 606 N GLU A 36 2.604 -4.292 -1.753 1.00 53.33 N ATOM 607 CA GLU A 36 2.697 -5.725 -2.009 1.00 2.43 C ATOM 608 C GLU A 36 4.155 -6.196 -1.900 1.00 54.53 C ATOM 609 O GLU A 36 5.082 -5.403 -2.073 1.00 34.21 O ATOM 610 CB GLU A 36 2.074 -5.940 -3.400 1.00 4.51 C ATOM 611 CG GLU A 36 1.712 -7.385 -3.755 1.00 3.23 C ATOM 612 CD GLU A 36 0.834 -7.446 -5.011 1.00 53.43 C ATOM 613 OE1 GLU A 36 1.112 -6.730 -6.005 1.00 4.03 O ATOM 614 OE2 GLU A 36 -0.168 -8.194 -5.009 1.00 62.41 O ATOM 0 H GLU A 36 3.206 -3.730 -2.355 1.00 53.33 H new ATOM 0 HA GLU A 36 2.160 -6.324 -1.274 1.00 2.43 H new ATOM 0 HB2 GLU A 36 1.172 -5.332 -3.471 1.00 4.51 H new ATOM 0 HB3 GLU A 36 2.770 -5.566 -4.150 1.00 4.51 H new ATOM 0 HG2 GLU A 36 2.623 -7.961 -3.917 1.00 3.23 H new ATOM 0 HG3 GLU A 36 1.187 -7.847 -2.919 1.00 3.23 H new ATOM 621 N ARG A 37 4.376 -7.464 -1.553 1.00 63.40 N ATOM 622 CA ARG A 37 5.727 -8.017 -1.450 1.00 51.21 C ATOM 623 C ARG A 37 6.135 -8.431 -2.863 1.00 51.24 C ATOM 624 O ARG A 37 5.328 -9.089 -3.526 1.00 74.21 O ATOM 625 CB ARG A 37 5.711 -9.241 -0.516 1.00 64.42 C ATOM 626 CG ARG A 37 7.112 -9.872 -0.383 1.00 23.43 C ATOM 627 CD ARG A 37 7.103 -11.402 -0.335 1.00 64.34 C ATOM 628 NE ARG A 37 6.502 -11.948 -1.566 1.00 41.32 N ATOM 629 CZ ARG A 37 6.356 -13.237 -1.869 1.00 62.00 C ATOM 630 NH1 ARG A 37 7.123 -14.150 -1.291 1.00 1.32 N ATOM 631 NH2 ARG A 37 5.416 -13.594 -2.739 1.00 61.13 N ATOM 0 H ARG A 37 3.634 -8.130 -1.338 1.00 63.40 H new ATOM 0 HA ARG A 37 6.430 -7.292 -1.040 1.00 51.21 H new ATOM 0 HB2 ARG A 37 5.350 -8.943 0.469 1.00 64.42 H new ATOM 0 HB3 ARG A 37 5.012 -9.984 -0.900 1.00 64.42 H new ATOM 0 HG2 ARG A 37 7.726 -9.549 -1.223 1.00 23.43 H new ATOM 0 HG3 ARG A 37 7.586 -9.493 0.523 1.00 23.43 H new ATOM 0 HD2 ARG A 37 8.121 -11.775 -0.222 1.00 64.34 H new ATOM 0 HD3 ARG A 37 6.541 -11.742 0.535 1.00 64.34 H new ATOM 0 HE ARG A 37 6.165 -11.273 -2.252 1.00 41.32 H new ATOM 0 HH11 ARG A 37 7.829 -13.867 -0.611 1.00 1.32 H new ATOM 0 HH12 ARG A 37 7.008 -15.136 -1.526 1.00 1.32 H new ATOM 0 HH21 ARG A 37 4.819 -12.885 -3.164 1.00 61.13 H new ATOM 0 HH22 ARG A 37 5.292 -14.577 -2.981 1.00 61.13 H new ATOM 645 N TYR A 38 7.353 -8.115 -3.317 1.00 72.03 N ATOM 646 CA TYR A 38 7.785 -8.505 -4.655 1.00 61.44 C ATOM 647 C TYR A 38 7.722 -10.021 -4.836 1.00 1.12 C ATOM 648 O TYR A 38 7.918 -10.774 -3.884 1.00 74.21 O ATOM 649 CB TYR A 38 9.193 -7.989 -4.976 1.00 14.14 C ATOM 650 CG TYR A 38 9.550 -8.204 -6.436 1.00 73.20 C ATOM 651 CD1 TYR A 38 8.703 -7.716 -7.453 1.00 63.13 C ATOM 652 CD2 TYR A 38 10.692 -8.948 -6.783 1.00 33.41 C ATOM 653 CE1 TYR A 38 9.003 -7.944 -8.804 1.00 30.35 C ATOM 654 CE2 TYR A 38 10.983 -9.194 -8.135 1.00 44.53 C ATOM 655 CZ TYR A 38 10.161 -8.664 -9.153 1.00 1.41 C ATOM 656 OH TYR A 38 10.464 -8.873 -10.461 1.00 10.51 O ATOM 0 H TYR A 38 8.048 -7.595 -2.781 1.00 72.03 H new ATOM 0 HA TYR A 38 7.092 -8.042 -5.358 1.00 61.44 H new ATOM 0 HB2 TYR A 38 9.254 -6.927 -4.739 1.00 14.14 H new ATOM 0 HB3 TYR A 38 9.920 -8.499 -4.344 1.00 14.14 H new ATOM 0 HD1 TYR A 38 7.815 -7.161 -7.189 1.00 63.13 H new ATOM 0 HD2 TYR A 38 11.344 -9.330 -6.011 1.00 33.41 H new ATOM 0 HE1 TYR A 38 8.347 -7.568 -9.575 1.00 30.35 H new ATOM 0 HE2 TYR A 38 11.842 -9.793 -8.398 1.00 44.53 H new ATOM 0 HH TYR A 38 11.296 -9.386 -10.526 1.00 10.51 H new ATOM 666 N LYS A 39 7.510 -10.494 -6.064 1.00 62.14 N ATOM 667 CA LYS A 39 7.425 -11.927 -6.322 1.00 74.24 C ATOM 668 C LYS A 39 8.728 -12.655 -6.007 1.00 10.22 C ATOM 669 O LYS A 39 8.684 -13.753 -5.450 1.00 32.01 O ATOM 670 CB LYS A 39 6.956 -12.191 -7.767 1.00 5.41 C ATOM 671 CG LYS A 39 7.943 -11.747 -8.866 1.00 5.24 C ATOM 672 CD LYS A 39 7.380 -12.031 -10.265 1.00 61.22 C ATOM 673 CE LYS A 39 8.453 -12.410 -11.294 1.00 4.41 C ATOM 674 NZ LYS A 39 9.465 -11.361 -11.540 1.00 41.32 N ATOM 0 H LYS A 39 7.395 -9.907 -6.890 1.00 62.14 H new ATOM 0 HA LYS A 39 6.678 -12.337 -5.642 1.00 74.24 H new ATOM 0 HB2 LYS A 39 6.765 -13.258 -7.881 1.00 5.41 H new ATOM 0 HB3 LYS A 39 6.007 -11.679 -7.924 1.00 5.41 H new ATOM 0 HG2 LYS A 39 8.150 -10.682 -8.764 1.00 5.24 H new ATOM 0 HG3 LYS A 39 8.891 -12.270 -8.740 1.00 5.24 H new ATOM 0 HD2 LYS A 39 6.652 -12.839 -10.197 1.00 61.22 H new ATOM 0 HD3 LYS A 39 6.845 -11.149 -10.618 1.00 61.22 H new ATOM 0 HE2 LYS A 39 8.960 -13.314 -10.955 1.00 4.41 H new ATOM 0 HE3 LYS A 39 7.964 -12.653 -12.237 1.00 4.41 H new ATOM 0 HZ1 LYS A 39 9.311 -10.944 -12.480 1.00 41.32 H new ATOM 0 HZ2 LYS A 39 9.381 -10.621 -10.814 1.00 41.32 H new ATOM 0 HZ3 LYS A 39 10.416 -11.780 -11.499 1.00 41.32 H new ATOM 688 N GLY A 40 9.865 -12.031 -6.324 1.00 64.34 N ATOM 689 CA GLY A 40 11.182 -12.600 -6.093 1.00 51.10 C ATOM 690 C GLY A 40 11.651 -12.456 -4.649 1.00 41.12 C ATOM 691 O GLY A 40 12.748 -12.921 -4.328 1.00 61.41 O ATOM 0 H GLY A 40 9.890 -11.106 -6.753 1.00 64.34 H new ATOM 0 HA2 GLY A 40 11.167 -13.657 -6.360 1.00 51.10 H new ATOM 0 HA3 GLY A 40 11.902 -12.115 -6.753 1.00 51.10 H new ATOM 695 N GLU A 41 10.869 -11.788 -3.799 1.00 13.52 N ATOM 696 CA GLU A 41 11.195 -11.575 -2.406 1.00 44.14 C ATOM 697 C GLU A 41 10.998 -12.895 -1.653 1.00 65.40 C ATOM 698 O GLU A 41 9.879 -13.410 -1.548 1.00 11.35 O ATOM 699 CB GLU A 41 10.335 -10.432 -1.854 1.00 72.33 C ATOM 700 CG GLU A 41 10.709 -10.012 -0.430 1.00 62.44 C ATOM 701 CD GLU A 41 12.222 -10.037 -0.263 1.00 43.32 C ATOM 702 OE1 GLU A 41 12.909 -9.122 -0.751 1.00 30.41 O ATOM 703 OE2 GLU A 41 12.735 -11.065 0.215 1.00 73.33 O ATOM 0 H GLU A 41 9.977 -11.376 -4.074 1.00 13.52 H new ATOM 0 HA GLU A 41 12.235 -11.276 -2.279 1.00 44.14 H new ATOM 0 HB2 GLU A 41 10.427 -9.569 -2.514 1.00 72.33 H new ATOM 0 HB3 GLU A 41 9.288 -10.736 -1.870 1.00 72.33 H new ATOM 0 HG2 GLU A 41 10.328 -9.012 -0.225 1.00 62.44 H new ATOM 0 HG3 GLU A 41 10.244 -10.684 0.291 1.00 62.44 H new ATOM 710 N LYS A 42 12.095 -13.469 -1.155 1.00 72.24 N ATOM 711 CA LYS A 42 12.107 -14.739 -0.433 1.00 21.12 C ATOM 712 C LYS A 42 12.728 -14.667 0.952 1.00 51.14 C ATOM 713 O LYS A 42 12.777 -15.692 1.630 1.00 31.05 O ATOM 714 CB LYS A 42 12.825 -15.773 -1.311 1.00 1.51 C ATOM 715 CG LYS A 42 11.930 -16.250 -2.458 1.00 30.02 C ATOM 716 CD LYS A 42 10.906 -17.276 -1.960 1.00 62.24 C ATOM 717 CE LYS A 42 9.999 -17.752 -3.093 1.00 54.33 C ATOM 718 NZ LYS A 42 8.931 -18.620 -2.561 1.00 4.51 N ATOM 0 H LYS A 42 13.021 -13.052 -1.246 1.00 72.24 H new ATOM 0 HA LYS A 42 11.072 -15.029 -0.249 1.00 21.12 H new ATOM 0 HB2 LYS A 42 13.738 -15.337 -1.717 1.00 1.51 H new ATOM 0 HB3 LYS A 42 13.123 -16.626 -0.701 1.00 1.51 H new ATOM 0 HG2 LYS A 42 11.413 -15.398 -2.900 1.00 30.02 H new ATOM 0 HG3 LYS A 42 12.543 -16.693 -3.243 1.00 30.02 H new ATOM 0 HD2 LYS A 42 11.426 -18.130 -1.525 1.00 62.24 H new ATOM 0 HD3 LYS A 42 10.301 -16.834 -1.169 1.00 62.24 H new ATOM 0 HE2 LYS A 42 9.560 -16.894 -3.602 1.00 54.33 H new ATOM 0 HE3 LYS A 42 10.585 -18.297 -3.833 1.00 54.33 H new ATOM 0 HZ1 LYS A 42 8.321 -18.937 -3.341 1.00 4.51 H new ATOM 0 HZ2 LYS A 42 9.356 -19.447 -2.095 1.00 4.51 H new ATOM 0 HZ3 LYS A 42 8.363 -18.088 -1.871 1.00 4.51 H new ATOM 732 N GLN A 43 13.266 -13.524 1.355 1.00 63.01 N ATOM 733 CA GLN A 43 13.859 -13.342 2.662 1.00 61.40 C ATOM 734 C GLN A 43 12.900 -12.530 3.515 1.00 65.10 C ATOM 735 O GLN A 43 12.744 -12.826 4.700 1.00 54.14 O ATOM 736 CB GLN A 43 15.258 -12.725 2.581 1.00 2.42 C ATOM 737 CG GLN A 43 15.386 -11.436 1.753 1.00 21.14 C ATOM 738 CD GLN A 43 15.826 -11.632 0.292 1.00 45.30 C ATOM 739 OE1 GLN A 43 16.406 -10.739 -0.322 1.00 31.42 O ATOM 740 NE2 GLN A 43 15.577 -12.773 -0.335 1.00 23.23 N ATOM 0 H GLN A 43 13.301 -12.689 0.771 1.00 63.01 H new ATOM 0 HA GLN A 43 14.012 -14.313 3.134 1.00 61.40 H new ATOM 0 HB2 GLN A 43 15.599 -12.516 3.595 1.00 2.42 H new ATOM 0 HB3 GLN A 43 15.937 -13.469 2.163 1.00 2.42 H new ATOM 0 HG2 GLN A 43 14.424 -10.923 1.759 1.00 21.14 H new ATOM 0 HG3 GLN A 43 16.102 -10.778 2.245 1.00 21.14 H new ATOM 0 HE21 GLN A 43 15.097 -13.529 0.153 1.00 23.23 H new ATOM 0 HE22 GLN A 43 15.865 -12.895 -1.306 1.00 23.23 H new ATOM 749 N LEU A 44 12.257 -11.508 2.943 1.00 72.34 N ATOM 750 CA LEU A 44 11.317 -10.712 3.709 1.00 73.00 C ATOM 751 C LEU A 44 9.950 -11.399 3.669 1.00 21.34 C ATOM 752 O LEU A 44 9.596 -12.012 2.657 1.00 3.54 O ATOM 753 CB LEU A 44 11.213 -9.262 3.227 1.00 74.30 C ATOM 754 CG LEU A 44 12.434 -8.420 3.619 1.00 73.40 C ATOM 755 CD1 LEU A 44 12.347 -7.054 2.938 1.00 13.44 C ATOM 756 CD2 LEU A 44 12.530 -8.196 5.136 1.00 30.43 C ATOM 0 H LEU A 44 12.372 -11.223 1.971 1.00 72.34 H new ATOM 0 HA LEU A 44 11.686 -10.652 4.733 1.00 73.00 H new ATOM 0 HB2 LEU A 44 11.102 -9.251 2.143 1.00 74.30 H new ATOM 0 HB3 LEU A 44 10.314 -8.808 3.644 1.00 74.30 H new ATOM 0 HG LEU A 44 13.319 -8.969 3.298 1.00 73.40 H new ATOM 0 HD11 LEU A 44 13.214 -6.454 3.215 1.00 13.44 H new ATOM 0 HD12 LEU A 44 12.329 -7.187 1.856 1.00 13.44 H new ATOM 0 HD13 LEU A 44 11.437 -6.546 3.257 1.00 13.44 H new ATOM 0 HD21 LEU A 44 13.411 -7.595 5.360 1.00 30.43 H new ATOM 0 HD22 LEU A 44 11.638 -7.676 5.484 1.00 30.43 H new ATOM 0 HD23 LEU A 44 12.609 -9.158 5.642 1.00 30.43 H new ATOM 768 N PRO A 45 9.154 -11.279 4.740 1.00 73.14 N ATOM 769 CA PRO A 45 7.844 -11.900 4.812 1.00 73.33 C ATOM 770 C PRO A 45 6.764 -11.106 4.068 1.00 43.11 C ATOM 771 O PRO A 45 6.931 -9.919 3.761 1.00 32.04 O ATOM 772 CB PRO A 45 7.569 -11.998 6.306 1.00 12.25 C ATOM 773 CG PRO A 45 8.273 -10.776 6.896 1.00 51.24 C ATOM 774 CD PRO A 45 9.477 -10.588 5.979 1.00 50.40 C ATOM 0 HA PRO A 45 7.825 -12.872 4.319 1.00 73.33 H new ATOM 0 HB2 PRO A 45 6.500 -11.982 6.516 1.00 12.25 H new ATOM 0 HB3 PRO A 45 7.962 -12.925 6.724 1.00 12.25 H new ATOM 0 HG2 PRO A 45 7.626 -9.899 6.895 1.00 51.24 H new ATOM 0 HG3 PRO A 45 8.577 -10.946 7.929 1.00 51.24 H new ATOM 0 HD2 PRO A 45 9.666 -9.530 5.797 1.00 50.40 H new ATOM 0 HD3 PRO A 45 10.379 -11.000 6.431 1.00 50.40 H new ATOM 782 N VAL A 46 5.645 -11.773 3.782 1.00 12.55 N ATOM 783 CA VAL A 46 4.485 -11.225 3.087 1.00 64.13 C ATOM 784 C VAL A 46 3.758 -10.265 4.037 1.00 43.31 C ATOM 785 O VAL A 46 3.608 -10.550 5.227 1.00 62.41 O ATOM 786 CB VAL A 46 3.585 -12.394 2.622 1.00 32.05 C ATOM 787 CG1 VAL A 46 2.320 -11.897 1.907 1.00 10.44 C ATOM 788 CG2 VAL A 46 4.330 -13.333 1.655 1.00 54.13 C ATOM 0 H VAL A 46 5.519 -12.752 4.041 1.00 12.55 H new ATOM 0 HA VAL A 46 4.776 -10.661 2.200 1.00 64.13 H new ATOM 0 HB VAL A 46 3.308 -12.931 3.529 1.00 32.05 H new ATOM 0 HG11 VAL A 46 1.718 -12.751 1.598 1.00 10.44 H new ATOM 0 HG12 VAL A 46 1.741 -11.271 2.586 1.00 10.44 H new ATOM 0 HG13 VAL A 46 2.603 -11.316 1.029 1.00 10.44 H new ATOM 0 HG21 VAL A 46 3.666 -14.142 1.350 1.00 54.13 H new ATOM 0 HG22 VAL A 46 4.647 -12.772 0.776 1.00 54.13 H new ATOM 0 HG23 VAL A 46 5.205 -13.750 2.154 1.00 54.13 H new ATOM 798 N LEU A 47 3.318 -9.106 3.539 1.00 63.02 N ATOM 799 CA LEU A 47 2.615 -8.116 4.350 1.00 73.11 C ATOM 800 C LEU A 47 1.216 -8.641 4.682 1.00 62.15 C ATOM 801 O LEU A 47 0.509 -9.141 3.803 1.00 12.12 O ATOM 802 CB LEU A 47 2.540 -6.761 3.621 1.00 10.55 C ATOM 803 CG LEU A 47 2.818 -5.515 4.489 1.00 10.43 C ATOM 804 CD1 LEU A 47 1.914 -5.409 5.721 1.00 12.10 C ATOM 805 CD2 LEU A 47 4.277 -5.447 4.960 1.00 42.43 C ATOM 0 H LEU A 47 3.440 -8.831 2.564 1.00 63.02 H new ATOM 0 HA LEU A 47 3.165 -7.954 5.277 1.00 73.11 H new ATOM 0 HB2 LEU A 47 3.253 -6.773 2.797 1.00 10.55 H new ATOM 0 HB3 LEU A 47 1.547 -6.661 3.182 1.00 10.55 H new ATOM 0 HG LEU A 47 2.600 -4.678 3.826 1.00 10.43 H new ATOM 0 HD11 LEU A 47 2.167 -4.509 6.282 1.00 12.10 H new ATOM 0 HD12 LEU A 47 0.872 -5.358 5.405 1.00 12.10 H new ATOM 0 HD13 LEU A 47 2.058 -6.284 6.354 1.00 12.10 H new ATOM 0 HD21 LEU A 47 4.422 -4.553 5.567 1.00 42.43 H new ATOM 0 HD22 LEU A 47 4.509 -6.331 5.554 1.00 42.43 H new ATOM 0 HD23 LEU A 47 4.938 -5.409 4.094 1.00 42.43 H new ATOM 817 N ASP A 48 0.800 -8.474 5.936 1.00 74.14 N ATOM 818 CA ASP A 48 -0.501 -8.918 6.442 1.00 23.54 C ATOM 819 C ASP A 48 -1.690 -8.214 5.794 1.00 13.23 C ATOM 820 O ASP A 48 -2.771 -8.791 5.668 1.00 41.25 O ATOM 821 CB ASP A 48 -0.568 -8.709 7.956 1.00 24.34 C ATOM 822 CG ASP A 48 -1.855 -9.317 8.509 1.00 24.50 C ATOM 823 OD1 ASP A 48 -1.930 -10.570 8.560 1.00 63.31 O ATOM 824 OD2 ASP A 48 -2.791 -8.556 8.831 1.00 21.14 O ATOM 0 H ASP A 48 1.370 -8.016 6.647 1.00 74.14 H new ATOM 0 HA ASP A 48 -0.578 -9.974 6.184 1.00 23.54 H new ATOM 0 HB2 ASP A 48 0.297 -9.170 8.434 1.00 24.34 H new ATOM 0 HB3 ASP A 48 -0.530 -7.644 8.187 1.00 24.34 H new ATOM 829 N LYS A 49 -1.488 -6.990 5.310 1.00 53.45 N ATOM 830 CA LYS A 49 -2.508 -6.169 4.666 1.00 45.32 C ATOM 831 C LYS A 49 -1.859 -5.629 3.405 1.00 43.35 C ATOM 832 O LYS A 49 -0.636 -5.524 3.340 1.00 2.32 O ATOM 833 CB LYS A 49 -3.002 -5.041 5.588 1.00 3.13 C ATOM 834 CG LYS A 49 -3.645 -5.584 6.876 1.00 41.02 C ATOM 835 CD LYS A 49 -4.380 -4.499 7.677 1.00 61.15 C ATOM 836 CE LYS A 49 -5.787 -4.141 7.153 1.00 60.14 C ATOM 837 NZ LYS A 49 -6.772 -5.227 7.372 1.00 62.52 N ATOM 0 H LYS A 49 -0.580 -6.529 5.358 1.00 53.45 H new ATOM 0 HA LYS A 49 -3.400 -6.752 4.434 1.00 45.32 H new ATOM 0 HB2 LYS A 49 -2.165 -4.393 5.847 1.00 3.13 H new ATOM 0 HB3 LYS A 49 -3.727 -4.427 5.053 1.00 3.13 H new ATOM 0 HG2 LYS A 49 -4.346 -6.378 6.620 1.00 41.02 H new ATOM 0 HG3 LYS A 49 -2.873 -6.031 7.502 1.00 41.02 H new ATOM 0 HD2 LYS A 49 -4.468 -4.829 8.712 1.00 61.15 H new ATOM 0 HD3 LYS A 49 -3.770 -3.596 7.681 1.00 61.15 H new ATOM 0 HE2 LYS A 49 -6.135 -3.235 7.649 1.00 60.14 H new ATOM 0 HE3 LYS A 49 -5.728 -3.919 6.087 1.00 60.14 H new ATOM 0 HZ1 LYS A 49 -7.707 -4.922 7.033 1.00 62.52 H new ATOM 0 HZ2 LYS A 49 -6.475 -6.076 6.850 1.00 62.52 H new ATOM 0 HZ3 LYS A 49 -6.827 -5.446 8.387 1.00 62.52 H new ATOM 851 N THR A 50 -2.661 -5.241 2.423 1.00 34.14 N ATOM 852 CA THR A 50 -2.145 -4.749 1.151 1.00 53.33 C ATOM 853 C THR A 50 -2.607 -3.325 0.844 1.00 34.10 C ATOM 854 O THR A 50 -1.910 -2.602 0.143 1.00 51.23 O ATOM 855 CB THR A 50 -2.566 -5.770 0.079 1.00 43.33 C ATOM 856 OG1 THR A 50 -2.264 -7.103 0.475 1.00 12.24 O ATOM 857 CG2 THR A 50 -1.942 -5.561 -1.295 1.00 52.12 C ATOM 0 H THR A 50 -3.679 -5.258 2.483 1.00 34.14 H new ATOM 0 HA THR A 50 -1.058 -4.668 1.180 1.00 53.33 H new ATOM 0 HB THR A 50 -3.640 -5.607 -0.008 1.00 43.33 H new ATOM 0 HG1 THR A 50 -2.546 -7.725 -0.228 1.00 12.24 H new ATOM 0 HG21 THR A 50 -2.301 -6.330 -1.979 1.00 52.12 H new ATOM 0 HG22 THR A 50 -2.221 -4.578 -1.676 1.00 52.12 H new ATOM 0 HG23 THR A 50 -0.857 -5.624 -1.215 1.00 52.12 H new ATOM 865 N LYS A 51 -3.778 -2.915 1.329 1.00 22.14 N ATOM 866 CA LYS A 51 -4.336 -1.586 1.103 1.00 13.40 C ATOM 867 C LYS A 51 -3.923 -0.685 2.271 1.00 43.31 C ATOM 868 O LYS A 51 -4.192 -1.034 3.420 1.00 22.21 O ATOM 869 CB LYS A 51 -5.864 -1.722 0.995 1.00 73.53 C ATOM 870 CG LYS A 51 -6.316 -2.689 -0.122 1.00 32.13 C ATOM 871 CD LYS A 51 -7.772 -3.154 0.010 1.00 5.01 C ATOM 872 CE LYS A 51 -8.007 -3.919 1.321 1.00 21.24 C ATOM 873 NZ LYS A 51 -8.973 -5.024 1.183 1.00 62.22 N ATOM 0 H LYS A 51 -4.376 -3.511 1.901 1.00 22.14 H new ATOM 0 HA LYS A 51 -3.964 -1.139 0.181 1.00 13.40 H new ATOM 0 HB2 LYS A 51 -6.259 -2.071 1.949 1.00 73.53 H new ATOM 0 HB3 LYS A 51 -6.297 -0.739 0.811 1.00 73.53 H new ATOM 0 HG2 LYS A 51 -6.187 -2.199 -1.087 1.00 32.13 H new ATOM 0 HG3 LYS A 51 -5.664 -3.563 -0.119 1.00 32.13 H new ATOM 0 HD2 LYS A 51 -8.435 -2.290 -0.031 1.00 5.01 H new ATOM 0 HD3 LYS A 51 -8.028 -3.793 -0.835 1.00 5.01 H new ATOM 0 HE2 LYS A 51 -7.057 -4.318 1.677 1.00 21.24 H new ATOM 0 HE3 LYS A 51 -8.366 -3.224 2.080 1.00 21.24 H new ATOM 0 HZ1 LYS A 51 -9.529 -5.111 2.058 1.00 62.22 H new ATOM 0 HZ2 LYS A 51 -9.611 -4.830 0.385 1.00 62.22 H new ATOM 0 HZ3 LYS A 51 -8.461 -5.913 1.008 1.00 62.22 H new ATOM 887 N PHE A 52 -3.258 0.439 2.010 1.00 4.01 N ATOM 888 CA PHE A 52 -2.811 1.381 3.036 1.00 43.14 C ATOM 889 C PHE A 52 -3.371 2.766 2.708 1.00 75.42 C ATOM 890 O PHE A 52 -3.701 3.063 1.557 1.00 40.14 O ATOM 891 CB PHE A 52 -1.273 1.441 3.085 1.00 75.31 C ATOM 892 CG PHE A 52 -0.608 0.276 3.788 1.00 3.01 C ATOM 893 CD1 PHE A 52 -0.590 -1.002 3.197 1.00 22.32 C ATOM 894 CD2 PHE A 52 -0.004 0.470 5.047 1.00 32.41 C ATOM 895 CE1 PHE A 52 0.016 -2.080 3.866 1.00 12.20 C ATOM 896 CE2 PHE A 52 0.598 -0.608 5.718 1.00 60.32 C ATOM 897 CZ PHE A 52 0.607 -1.881 5.125 1.00 60.22 C ATOM 0 H PHE A 52 -3.010 0.726 1.063 1.00 4.01 H new ATOM 0 HA PHE A 52 -3.171 1.050 4.010 1.00 43.14 H new ATOM 0 HB2 PHE A 52 -0.894 1.494 2.064 1.00 75.31 H new ATOM 0 HB3 PHE A 52 -0.976 2.364 3.584 1.00 75.31 H new ATOM 0 HD1 PHE A 52 -1.042 -1.154 2.228 1.00 22.32 H new ATOM 0 HD2 PHE A 52 -0.004 1.451 5.498 1.00 32.41 H new ATOM 0 HE1 PHE A 52 0.027 -3.060 3.413 1.00 12.20 H new ATOM 0 HE2 PHE A 52 1.052 -0.458 6.686 1.00 60.32 H new ATOM 0 HZ PHE A 52 1.070 -2.710 5.639 1.00 60.22 H new ATOM 907 N LEU A 53 -3.445 3.631 3.721 1.00 20.10 N ATOM 908 CA LEU A 53 -3.949 4.999 3.630 1.00 23.24 C ATOM 909 C LEU A 53 -2.881 5.922 4.196 1.00 11.33 C ATOM 910 O LEU A 53 -2.704 6.021 5.415 1.00 73.54 O ATOM 911 CB LEU A 53 -5.281 5.124 4.383 1.00 14.20 C ATOM 912 CG LEU A 53 -6.502 4.750 3.537 1.00 61.33 C ATOM 913 CD1 LEU A 53 -7.745 4.611 4.423 1.00 44.05 C ATOM 914 CD2 LEU A 53 -6.783 5.761 2.424 1.00 53.15 C ATOM 0 H LEU A 53 -3.143 3.386 4.664 1.00 20.10 H new ATOM 0 HA LEU A 53 -4.150 5.277 2.595 1.00 23.24 H new ATOM 0 HB2 LEU A 53 -5.251 4.485 5.265 1.00 14.20 H new ATOM 0 HB3 LEU A 53 -5.394 6.149 4.736 1.00 14.20 H new ATOM 0 HG LEU A 53 -6.270 3.795 3.065 1.00 61.33 H new ATOM 0 HD11 LEU A 53 -8.604 4.345 3.806 1.00 44.05 H new ATOM 0 HD12 LEU A 53 -7.577 3.832 5.166 1.00 44.05 H new ATOM 0 HD13 LEU A 53 -7.940 5.557 4.927 1.00 44.05 H new ATOM 0 HD21 LEU A 53 -7.659 5.444 1.858 1.00 53.15 H new ATOM 0 HD22 LEU A 53 -6.969 6.742 2.862 1.00 53.15 H new ATOM 0 HD23 LEU A 53 -5.922 5.818 1.758 1.00 53.15 H new ATOM 926 N VAL A 54 -2.199 6.647 3.316 1.00 73.55 N ATOM 927 CA VAL A 54 -1.115 7.531 3.708 1.00 62.24 C ATOM 928 C VAL A 54 -1.580 8.985 3.753 1.00 24.32 C ATOM 929 O VAL A 54 -2.124 9.468 2.768 1.00 3.41 O ATOM 930 CB VAL A 54 0.071 7.361 2.733 1.00 15.44 C ATOM 931 CG1 VAL A 54 1.334 7.998 3.340 1.00 74.13 C ATOM 932 CG2 VAL A 54 0.332 5.886 2.388 1.00 24.51 C ATOM 0 H VAL A 54 -2.384 6.636 2.313 1.00 73.55 H new ATOM 0 HA VAL A 54 -0.789 7.262 4.713 1.00 62.24 H new ATOM 0 HB VAL A 54 -0.187 7.867 1.803 1.00 15.44 H new ATOM 0 HG11 VAL A 54 2.170 7.877 2.651 1.00 74.13 H new ATOM 0 HG12 VAL A 54 1.158 9.059 3.514 1.00 74.13 H new ATOM 0 HG13 VAL A 54 1.570 7.509 4.285 1.00 74.13 H new ATOM 0 HG21 VAL A 54 1.175 5.817 1.700 1.00 24.51 H new ATOM 0 HG22 VAL A 54 0.562 5.334 3.300 1.00 24.51 H new ATOM 0 HG23 VAL A 54 -0.555 5.459 1.919 1.00 24.51 H new ATOM 942 N PRO A 55 -1.412 9.702 4.872 1.00 75.24 N ATOM 943 CA PRO A 55 -1.799 11.103 4.967 1.00 32.30 C ATOM 944 C PRO A 55 -0.916 11.938 4.046 1.00 51.43 C ATOM 945 O PRO A 55 0.292 11.712 3.982 1.00 41.24 O ATOM 946 CB PRO A 55 -1.594 11.484 6.427 1.00 72.13 C ATOM 947 CG PRO A 55 -0.680 10.412 7.029 1.00 62.44 C ATOM 948 CD PRO A 55 -0.806 9.222 6.097 1.00 12.12 C ATOM 0 HA PRO A 55 -2.831 11.276 4.662 1.00 32.30 H new ATOM 0 HB2 PRO A 55 -1.141 12.472 6.511 1.00 72.13 H new ATOM 0 HB3 PRO A 55 -2.546 11.524 6.956 1.00 72.13 H new ATOM 0 HG2 PRO A 55 0.351 10.760 7.088 1.00 62.44 H new ATOM 0 HG3 PRO A 55 -0.988 10.154 8.042 1.00 62.44 H new ATOM 0 HD2 PRO A 55 0.172 8.784 5.897 1.00 12.12 H new ATOM 0 HD3 PRO A 55 -1.418 8.442 6.549 1.00 12.12 H new ATOM 956 N ASP A 56 -1.483 12.882 3.295 1.00 60.33 N ATOM 957 CA ASP A 56 -0.694 13.729 2.384 1.00 75.25 C ATOM 958 C ASP A 56 0.256 14.644 3.145 1.00 41.22 C ATOM 959 O ASP A 56 1.229 15.124 2.572 1.00 43.25 O ATOM 960 CB ASP A 56 -1.597 14.573 1.483 1.00 73.45 C ATOM 961 CG ASP A 56 -2.100 15.819 2.206 1.00 12.40 C ATOM 962 OD1 ASP A 56 -2.963 15.673 3.101 1.00 74.51 O ATOM 963 OD2 ASP A 56 -1.623 16.940 1.907 1.00 20.21 O ATOM 0 H ASP A 56 -2.483 13.084 3.295 1.00 60.33 H new ATOM 0 HA ASP A 56 -0.106 13.052 1.764 1.00 75.25 H new ATOM 0 HB2 ASP A 56 -1.048 14.867 0.588 1.00 73.45 H new ATOM 0 HB3 ASP A 56 -2.446 13.974 1.154 1.00 73.45 H new ATOM 968 N HIS A 57 0.003 14.885 4.433 1.00 1.40 N ATOM 969 CA HIS A 57 0.857 15.737 5.240 1.00 31.44 C ATOM 970 C HIS A 57 2.171 15.033 5.609 1.00 33.03 C ATOM 971 O HIS A 57 3.050 15.698 6.155 1.00 34.23 O ATOM 972 CB HIS A 57 0.087 16.247 6.470 1.00 12.34 C ATOM 973 CG HIS A 57 -0.475 15.182 7.381 1.00 14.41 C ATOM 974 ND1 HIS A 57 0.253 14.305 8.150 1.00 11.34 N ATOM 975 CD2 HIS A 57 -1.800 14.975 7.664 1.00 61.33 C ATOM 976 CE1 HIS A 57 -0.610 13.594 8.888 1.00 73.11 C ATOM 977 NE2 HIS A 57 -1.878 13.952 8.618 1.00 60.44 N ATOM 0 H HIS A 57 -0.794 14.496 4.936 1.00 1.40 H new ATOM 0 HA HIS A 57 1.142 16.608 4.650 1.00 31.44 H new ATOM 0 HB2 HIS A 57 0.752 16.884 7.053 1.00 12.34 H new ATOM 0 HB3 HIS A 57 -0.735 16.875 6.126 1.00 12.34 H new ATOM 0 HD2 HIS A 57 -2.634 15.505 7.229 1.00 61.33 H new ATOM 0 HE1 HIS A 57 -0.326 12.836 9.603 1.00 73.11 H new ATOM 0 HE2 HIS A 57 -2.726 13.558 9.026 1.00 60.44 H new ATOM 985 N VAL A 58 2.291 13.711 5.419 1.00 3.50 N ATOM 986 CA VAL A 58 3.504 12.965 5.730 1.00 40.14 C ATOM 987 C VAL A 58 4.326 12.708 4.465 1.00 75.21 C ATOM 988 O VAL A 58 3.851 12.878 3.341 1.00 4.22 O ATOM 989 CB VAL A 58 3.152 11.711 6.562 1.00 3.52 C ATOM 990 CG1 VAL A 58 2.934 10.415 5.764 1.00 2.22 C ATOM 991 CG2 VAL A 58 4.236 11.454 7.608 1.00 53.44 C ATOM 0 H VAL A 58 1.540 13.132 5.042 1.00 3.50 H new ATOM 0 HA VAL A 58 4.165 13.556 6.364 1.00 40.14 H new ATOM 0 HB VAL A 58 2.190 11.953 7.013 1.00 3.52 H new ATOM 0 HG11 VAL A 58 2.693 9.602 6.449 1.00 2.22 H new ATOM 0 HG12 VAL A 58 2.112 10.554 5.062 1.00 2.22 H new ATOM 0 HG13 VAL A 58 3.843 10.169 5.214 1.00 2.22 H new ATOM 0 HG21 VAL A 58 3.978 10.568 8.189 1.00 53.44 H new ATOM 0 HG22 VAL A 58 5.192 11.296 7.110 1.00 53.44 H new ATOM 0 HG23 VAL A 58 4.311 12.315 8.273 1.00 53.44 H new ATOM 1001 N ASN A 59 5.547 12.217 4.655 1.00 51.22 N ATOM 1002 CA ASN A 59 6.524 11.868 3.629 1.00 41.34 C ATOM 1003 C ASN A 59 6.850 10.385 3.718 1.00 73.43 C ATOM 1004 O ASN A 59 6.668 9.736 4.762 1.00 42.11 O ATOM 1005 CB ASN A 59 7.819 12.698 3.747 1.00 20.25 C ATOM 1006 CG ASN A 59 8.000 13.391 5.083 1.00 60.04 C ATOM 1007 OD1 ASN A 59 8.122 12.622 6.150 1.00 53.40 O flip ATOM 1008 ND2 ASN A 59 7.941 14.610 5.175 1.00 71.43 N flip ATOM 0 H ASN A 59 5.904 12.040 5.594 1.00 51.22 H new ATOM 0 HA ASN A 59 6.080 12.097 2.660 1.00 41.34 H new ATOM 0 HB2 ASN A 59 8.673 12.043 3.573 1.00 20.25 H new ATOM 0 HB3 ASN A 59 7.827 13.450 2.958 1.00 20.25 H new ATOM 0 HD21 ASN A 59 7.847 15.181 4.335 1.00 71.43 H new ATOM 0 HD22 ASN A 59 7.986 15.055 6.092 1.00 71.43 H new ATOM 1015 N MET A 60 7.450 9.887 2.636 1.00 73.33 N ATOM 1016 CA MET A 60 7.842 8.495 2.487 1.00 1.51 C ATOM 1017 C MET A 60 8.717 7.992 3.630 1.00 44.20 C ATOM 1018 O MET A 60 8.608 6.828 4.005 1.00 13.52 O ATOM 1019 CB MET A 60 8.508 8.268 1.123 1.00 1.22 C ATOM 1020 CG MET A 60 7.531 8.458 -0.041 1.00 51.42 C ATOM 1021 SD MET A 60 8.275 8.243 -1.676 1.00 3.15 S ATOM 1022 CE MET A 60 8.600 6.458 -1.668 1.00 52.50 C ATOM 0 H MET A 60 7.680 10.458 1.823 1.00 73.33 H new ATOM 0 HA MET A 60 6.929 7.902 2.532 1.00 1.51 H new ATOM 0 HB2 MET A 60 9.343 8.959 1.010 1.00 1.22 H new ATOM 0 HB3 MET A 60 8.921 7.260 1.086 1.00 1.22 H new ATOM 0 HG2 MET A 60 6.710 7.749 0.069 1.00 51.42 H new ATOM 0 HG3 MET A 60 7.099 9.457 0.021 1.00 51.42 H new ATOM 0 HE1 MET A 60 8.910 6.140 -2.664 1.00 52.50 H new ATOM 0 HE2 MET A 60 9.392 6.236 -0.953 1.00 52.50 H new ATOM 0 HE3 MET A 60 7.693 5.924 -1.383 1.00 52.50 H new ATOM 1032 N SER A 61 9.508 8.871 4.239 1.00 43.10 N ATOM 1033 CA SER A 61 10.391 8.582 5.356 1.00 12.13 C ATOM 1034 C SER A 61 9.596 7.842 6.439 1.00 2.15 C ATOM 1035 O SER A 61 9.919 6.727 6.863 1.00 41.30 O ATOM 1036 CB SER A 61 10.926 9.953 5.825 1.00 72.43 C ATOM 1037 OG SER A 61 11.828 9.917 6.911 1.00 13.23 O ATOM 0 H SER A 61 9.550 9.849 3.951 1.00 43.10 H new ATOM 0 HA SER A 61 11.228 7.934 5.097 1.00 12.13 H new ATOM 0 HB2 SER A 61 11.419 10.438 4.982 1.00 72.43 H new ATOM 0 HB3 SER A 61 10.077 10.579 6.101 1.00 72.43 H new ATOM 0 HG SER A 61 11.326 9.898 7.753 1.00 13.23 H new ATOM 1043 N GLU A 62 8.555 8.516 6.917 1.00 12.54 N ATOM 1044 CA GLU A 62 7.664 8.044 7.956 1.00 20.44 C ATOM 1045 C GLU A 62 6.742 6.924 7.476 1.00 64.02 C ATOM 1046 O GLU A 62 6.405 6.035 8.260 1.00 55.13 O ATOM 1047 CB GLU A 62 6.991 9.201 8.679 1.00 20.34 C ATOM 1048 CG GLU A 62 7.912 10.429 8.817 1.00 75.03 C ATOM 1049 CD GLU A 62 9.175 10.134 9.643 1.00 60.02 C ATOM 1050 OE1 GLU A 62 9.076 10.101 10.893 1.00 31.01 O ATOM 1051 OE2 GLU A 62 10.247 9.868 9.048 1.00 35.04 O ATOM 0 H GLU A 62 8.304 9.443 6.573 1.00 12.54 H new ATOM 0 HA GLU A 62 8.260 7.555 8.726 1.00 20.44 H new ATOM 0 HB2 GLU A 62 6.089 9.487 8.138 1.00 20.34 H new ATOM 0 HB3 GLU A 62 6.678 8.873 9.670 1.00 20.34 H new ATOM 0 HG2 GLU A 62 8.204 10.772 7.825 1.00 75.03 H new ATOM 0 HG3 GLU A 62 7.358 11.243 9.286 1.00 75.03 H new ATOM 1058 N LEU A 63 6.279 6.979 6.218 1.00 44.21 N ATOM 1059 CA LEU A 63 5.429 5.905 5.685 1.00 42.14 C ATOM 1060 C LEU A 63 6.188 4.580 5.854 1.00 55.14 C ATOM 1061 O LEU A 63 5.695 3.631 6.479 1.00 1.33 O ATOM 1062 CB LEU A 63 5.094 6.161 4.202 1.00 35.03 C ATOM 1063 CG LEU A 63 4.518 4.940 3.452 1.00 62.00 C ATOM 1064 CD1 LEU A 63 3.234 4.405 4.075 1.00 1.42 C ATOM 1065 CD2 LEU A 63 4.227 5.320 2.001 1.00 4.32 C ATOM 0 H LEU A 63 6.473 7.737 5.564 1.00 44.21 H new ATOM 0 HA LEU A 63 4.483 5.867 6.226 1.00 42.14 H new ATOM 0 HB2 LEU A 63 4.377 6.979 4.141 1.00 35.03 H new ATOM 0 HB3 LEU A 63 5.998 6.491 3.691 1.00 35.03 H new ATOM 0 HG LEU A 63 5.271 4.155 3.515 1.00 62.00 H new ATOM 0 HD11 LEU A 63 2.881 3.548 3.501 1.00 1.42 H new ATOM 0 HD12 LEU A 63 3.429 4.098 5.103 1.00 1.42 H new ATOM 0 HD13 LEU A 63 2.473 5.185 4.067 1.00 1.42 H new ATOM 0 HD21 LEU A 63 3.821 4.457 1.473 1.00 4.32 H new ATOM 0 HD22 LEU A 63 3.503 6.134 1.976 1.00 4.32 H new ATOM 0 HD23 LEU A 63 5.150 5.640 1.517 1.00 4.32 H new ATOM 1077 N ILE A 64 7.407 4.545 5.310 1.00 23.31 N ATOM 1078 CA ILE A 64 8.280 3.388 5.370 1.00 34.02 C ATOM 1079 C ILE A 64 8.553 3.057 6.840 1.00 35.45 C ATOM 1080 O ILE A 64 8.549 1.879 7.192 1.00 3.45 O ATOM 1081 CB ILE A 64 9.534 3.610 4.493 1.00 43.13 C ATOM 1082 CG1 ILE A 64 9.261 3.214 3.021 1.00 33.22 C ATOM 1083 CG2 ILE A 64 10.717 2.768 4.983 1.00 4.13 C ATOM 1084 CD1 ILE A 64 8.313 4.126 2.232 1.00 63.04 C ATOM 0 H ILE A 64 7.814 5.335 4.810 1.00 23.31 H new ATOM 0 HA ILE A 64 7.808 2.504 4.942 1.00 34.02 H new ATOM 0 HB ILE A 64 9.775 4.671 4.564 1.00 43.13 H new ATOM 0 HG12 ILE A 64 10.215 3.177 2.495 1.00 33.22 H new ATOM 0 HG13 ILE A 64 8.851 2.204 3.010 1.00 33.22 H new ATOM 0 HG21 ILE A 64 11.581 2.948 4.344 1.00 4.13 H new ATOM 0 HG22 ILE A 64 10.960 3.044 6.009 1.00 4.13 H new ATOM 0 HG23 ILE A 64 10.452 1.711 4.945 1.00 4.13 H new ATOM 0 HD11 ILE A 64 8.202 3.745 1.217 1.00 63.04 H new ATOM 0 HD12 ILE A 64 7.339 4.147 2.720 1.00 63.04 H new ATOM 0 HD13 ILE A 64 8.724 5.135 2.197 1.00 63.04 H new ATOM 1096 N LYS A 65 8.729 4.050 7.721 1.00 52.20 N ATOM 1097 CA LYS A 65 8.967 3.806 9.143 1.00 41.13 C ATOM 1098 C LYS A 65 7.856 2.936 9.727 1.00 2.35 C ATOM 1099 O LYS A 65 8.172 1.933 10.369 1.00 31.42 O ATOM 1100 CB LYS A 65 9.032 5.142 9.883 1.00 12.55 C ATOM 1101 CG LYS A 65 9.340 5.016 11.374 1.00 21.03 C ATOM 1102 CD LYS A 65 8.838 6.277 12.106 1.00 71.00 C ATOM 1103 CE LYS A 65 7.340 6.208 12.413 1.00 52.52 C ATOM 1104 NZ LYS A 65 6.877 7.354 13.223 1.00 62.11 N ATOM 0 H LYS A 65 8.710 5.038 7.467 1.00 52.20 H new ATOM 0 HA LYS A 65 9.914 3.280 9.261 1.00 41.13 H new ATOM 0 HB2 LYS A 65 9.795 5.766 9.417 1.00 12.55 H new ATOM 0 HB3 LYS A 65 8.080 5.658 9.762 1.00 12.55 H new ATOM 0 HG2 LYS A 65 8.858 4.128 11.783 1.00 21.03 H new ATOM 0 HG3 LYS A 65 10.413 4.895 11.527 1.00 21.03 H new ATOM 0 HD2 LYS A 65 9.393 6.400 13.036 1.00 71.00 H new ATOM 0 HD3 LYS A 65 9.042 7.156 11.494 1.00 71.00 H new ATOM 0 HE2 LYS A 65 6.781 6.179 11.478 1.00 52.52 H new ATOM 0 HE3 LYS A 65 7.123 5.281 12.943 1.00 52.52 H new ATOM 0 HZ1 LYS A 65 5.857 7.262 13.404 1.00 62.11 H new ATOM 0 HZ2 LYS A 65 7.389 7.369 14.128 1.00 62.11 H new ATOM 0 HZ3 LYS A 65 7.058 8.239 12.708 1.00 62.11 H new ATOM 1118 N ILE A 66 6.574 3.289 9.540 1.00 43.11 N ATOM 1119 CA ILE A 66 5.495 2.460 10.081 1.00 3.45 C ATOM 1120 C ILE A 66 5.589 1.068 9.445 1.00 60.32 C ATOM 1121 O ILE A 66 5.425 0.069 10.149 1.00 22.01 O ATOM 1122 CB ILE A 66 4.101 3.152 10.006 1.00 55.40 C ATOM 1123 CG1 ILE A 66 3.879 3.942 11.317 1.00 43.31 C ATOM 1124 CG2 ILE A 66 2.958 2.162 9.714 1.00 20.30 C ATOM 1125 CD1 ILE A 66 2.438 4.362 11.572 1.00 64.21 C ATOM 0 H ILE A 66 6.269 4.119 9.033 1.00 43.11 H new ATOM 0 HA ILE A 66 5.620 2.328 11.156 1.00 3.45 H new ATOM 0 HB ILE A 66 4.090 3.841 9.161 1.00 55.40 H new ATOM 0 HG12 ILE A 66 4.219 3.332 12.154 1.00 43.31 H new ATOM 0 HG13 ILE A 66 4.505 4.834 11.298 1.00 43.31 H new ATOM 0 HG21 ILE A 66 2.011 2.701 9.673 1.00 20.30 H new ATOM 0 HG22 ILE A 66 3.137 1.671 8.758 1.00 20.30 H new ATOM 0 HG23 ILE A 66 2.915 1.412 10.504 1.00 20.30 H new ATOM 0 HD11 ILE A 66 2.380 4.910 12.513 1.00 64.21 H new ATOM 0 HD12 ILE A 66 2.096 5.001 10.758 1.00 64.21 H new ATOM 0 HD13 ILE A 66 1.805 3.476 11.628 1.00 64.21 H new ATOM 1137 N ILE A 67 5.905 0.972 8.149 1.00 13.42 N ATOM 1138 CA ILE A 67 6.032 -0.321 7.487 1.00 23.01 C ATOM 1139 C ILE A 67 7.137 -1.147 8.171 1.00 12.35 C ATOM 1140 O ILE A 67 6.895 -2.318 8.480 1.00 3.34 O ATOM 1141 CB ILE A 67 6.192 -0.119 5.954 1.00 75.03 C ATOM 1142 CG1 ILE A 67 4.832 -0.334 5.252 1.00 20.32 C ATOM 1143 CG2 ILE A 67 7.232 -1.027 5.284 1.00 62.12 C ATOM 1144 CD1 ILE A 67 3.826 0.780 5.554 1.00 12.44 C ATOM 0 H ILE A 67 6.076 1.775 7.543 1.00 13.42 H new ATOM 0 HA ILE A 67 5.125 -0.915 7.596 1.00 23.01 H new ATOM 0 HB ILE A 67 6.554 0.903 5.841 1.00 75.03 H new ATOM 0 HG12 ILE A 67 4.989 -0.393 4.175 1.00 20.32 H new ATOM 0 HG13 ILE A 67 4.413 -1.290 5.566 1.00 20.32 H new ATOM 0 HG21 ILE A 67 7.270 -0.811 4.216 1.00 62.12 H new ATOM 0 HG22 ILE A 67 8.212 -0.846 5.726 1.00 62.12 H new ATOM 0 HG23 ILE A 67 6.954 -2.070 5.433 1.00 62.12 H new ATOM 0 HD11 ILE A 67 2.890 0.576 5.034 1.00 12.44 H new ATOM 0 HD12 ILE A 67 3.643 0.824 6.628 1.00 12.44 H new ATOM 0 HD13 ILE A 67 4.228 1.735 5.215 1.00 12.44 H new ATOM 1156 N ARG A 68 8.318 -0.586 8.476 1.00 22.31 N ATOM 1157 CA ARG A 68 9.370 -1.354 9.130 1.00 13.43 C ATOM 1158 C ARG A 68 8.970 -1.681 10.567 1.00 15.24 C ATOM 1159 O ARG A 68 9.303 -2.759 11.059 1.00 55.53 O ATOM 1160 CB ARG A 68 10.712 -0.606 9.046 1.00 52.52 C ATOM 1161 CG ARG A 68 11.185 -0.394 7.592 1.00 22.25 C ATOM 1162 CD ARG A 68 12.710 -0.256 7.475 1.00 2.12 C ATOM 1163 NE ARG A 68 13.377 -1.545 7.188 1.00 74.14 N ATOM 1164 CZ ARG A 68 14.648 -1.843 7.484 1.00 35.01 C ATOM 1165 NH1 ARG A 68 15.422 -0.993 8.136 1.00 0.52 N ATOM 1166 NH2 ARG A 68 15.168 -3.018 7.155 1.00 54.13 N ATOM 0 H ARG A 68 8.559 0.385 8.280 1.00 22.31 H new ATOM 0 HA ARG A 68 9.502 -2.303 8.610 1.00 13.43 H new ATOM 0 HB2 ARG A 68 10.615 0.362 9.537 1.00 52.52 H new ATOM 0 HB3 ARG A 68 11.471 -1.166 9.593 1.00 52.52 H new ATOM 0 HG2 ARG A 68 10.853 -1.233 6.981 1.00 22.25 H new ATOM 0 HG3 ARG A 68 10.712 0.501 7.188 1.00 22.25 H new ATOM 0 HD2 ARG A 68 12.947 0.456 6.684 1.00 2.12 H new ATOM 0 HD3 ARG A 68 13.106 0.155 8.403 1.00 2.12 H new ATOM 0 HE ARG A 68 12.823 -2.266 6.726 1.00 74.14 H new ATOM 0 HH11 ARG A 68 15.054 -0.087 8.425 1.00 0.52 H new ATOM 0 HH12 ARG A 68 16.387 -1.243 8.350 1.00 0.52 H new ATOM 0 HH21 ARG A 68 14.598 -3.710 6.669 1.00 54.13 H new ATOM 0 HH22 ARG A 68 16.138 -3.229 7.388 1.00 54.13 H new ATOM 1180 N ARG A 69 8.205 -0.814 11.238 1.00 61.32 N ATOM 1181 CA ARG A 69 7.758 -1.028 12.611 1.00 11.21 C ATOM 1182 C ARG A 69 6.950 -2.311 12.729 1.00 72.14 C ATOM 1183 O ARG A 69 7.304 -3.201 13.492 1.00 15.15 O ATOM 1184 CB ARG A 69 6.938 0.178 13.104 1.00 61.20 C ATOM 1185 CG ARG A 69 6.634 0.043 14.608 1.00 41.20 C ATOM 1186 CD ARG A 69 6.657 1.372 15.377 1.00 55.40 C ATOM 1187 NE ARG A 69 5.631 2.330 14.933 1.00 74.43 N ATOM 1188 CZ ARG A 69 4.337 2.324 15.282 1.00 1.45 C ATOM 1189 NH1 ARG A 69 3.816 1.350 16.014 1.00 1.45 N ATOM 1190 NH2 ARG A 69 3.565 3.330 14.907 1.00 43.12 N ATOM 0 H ARG A 69 7.877 0.064 10.836 1.00 61.32 H new ATOM 0 HA ARG A 69 8.640 -1.129 13.243 1.00 11.21 H new ATOM 0 HB2 ARG A 69 7.489 1.100 12.919 1.00 61.20 H new ATOM 0 HB3 ARG A 69 6.006 0.246 12.543 1.00 61.20 H new ATOM 0 HG2 ARG A 69 5.653 -0.417 14.729 1.00 41.20 H new ATOM 0 HG3 ARG A 69 7.361 -0.635 15.055 1.00 41.20 H new ATOM 0 HD2 ARG A 69 6.517 1.170 16.439 1.00 55.40 H new ATOM 0 HD3 ARG A 69 7.640 1.829 15.266 1.00 55.40 H new ATOM 0 HE ARG A 69 5.934 3.069 14.299 1.00 74.43 H new ATOM 0 HH11 ARG A 69 4.404 0.577 16.328 1.00 1.45 H new ATOM 0 HH12 ARG A 69 2.827 1.373 16.264 1.00 1.45 H new ATOM 0 HH21 ARG A 69 3.956 4.097 14.360 1.00 43.12 H new ATOM 0 HH22 ARG A 69 2.578 3.339 15.165 1.00 43.12 H new ATOM 1204 N ARG A 70 5.852 -2.414 11.979 1.00 31.01 N ATOM 1205 CA ARG A 70 4.975 -3.584 12.003 1.00 23.24 C ATOM 1206 C ARG A 70 5.640 -4.817 11.402 1.00 23.33 C ATOM 1207 O ARG A 70 5.300 -5.929 11.808 1.00 54.42 O ATOM 1208 CB ARG A 70 3.632 -3.255 11.334 1.00 11.55 C ATOM 1209 CG ARG A 70 3.789 -2.649 9.928 1.00 63.14 C ATOM 1210 CD ARG A 70 2.986 -3.374 8.842 1.00 11.43 C ATOM 1211 NE ARG A 70 3.562 -4.710 8.553 1.00 12.41 N ATOM 1212 CZ ARG A 70 3.129 -5.888 9.029 1.00 63.03 C ATOM 1213 NH1 ARG A 70 1.965 -5.968 9.658 1.00 40.15 N ATOM 1214 NH2 ARG A 70 3.857 -6.987 8.864 1.00 41.22 N ATOM 0 H ARG A 70 5.545 -1.685 11.335 1.00 31.01 H new ATOM 0 HA ARG A 70 4.776 -3.837 13.044 1.00 23.24 H new ATOM 0 HB2 ARG A 70 3.034 -4.164 11.266 1.00 11.55 H new ATOM 0 HB3 ARG A 70 3.081 -2.557 11.964 1.00 11.55 H new ATOM 0 HG2 ARG A 70 3.479 -1.604 9.957 1.00 63.14 H new ATOM 0 HG3 ARG A 70 4.844 -2.661 9.654 1.00 63.14 H new ATOM 0 HD2 ARG A 70 1.950 -3.483 9.163 1.00 11.43 H new ATOM 0 HD3 ARG A 70 2.976 -2.774 7.932 1.00 11.43 H new ATOM 0 HE ARG A 70 4.369 -4.736 7.929 1.00 12.41 H new ATOM 0 HH11 ARG A 70 1.394 -5.132 9.782 1.00 40.15 H new ATOM 0 HH12 ARG A 70 1.640 -6.866 10.018 1.00 40.15 H new ATOM 0 HH21 ARG A 70 4.750 -6.938 8.373 1.00 41.22 H new ATOM 0 HH22 ARG A 70 3.523 -7.879 9.228 1.00 41.22 H new ATOM 1228 N LEU A 71 6.525 -4.656 10.410 1.00 12.44 N ATOM 1229 CA LEU A 71 7.225 -5.793 9.809 1.00 44.54 C ATOM 1230 C LEU A 71 8.142 -6.446 10.834 1.00 55.51 C ATOM 1231 O LEU A 71 8.272 -7.666 10.818 1.00 3.35 O ATOM 1232 CB LEU A 71 8.097 -5.354 8.624 1.00 52.21 C ATOM 1233 CG LEU A 71 7.388 -5.478 7.272 1.00 61.40 C ATOM 1234 CD1 LEU A 71 8.116 -4.635 6.236 1.00 12.53 C ATOM 1235 CD2 LEU A 71 7.402 -6.933 6.795 1.00 65.34 C ATOM 0 H LEU A 71 6.771 -3.751 10.009 1.00 12.44 H new ATOM 0 HA LEU A 71 6.462 -6.491 9.465 1.00 44.54 H new ATOM 0 HB2 LEU A 71 8.404 -4.319 8.772 1.00 52.21 H new ATOM 0 HB3 LEU A 71 9.005 -5.957 8.607 1.00 52.21 H new ATOM 0 HG LEU A 71 6.360 -5.137 7.391 1.00 61.40 H new ATOM 0 HD11 LEU A 71 7.611 -4.724 5.274 1.00 12.53 H new ATOM 0 HD12 LEU A 71 8.116 -3.591 6.551 1.00 12.53 H new ATOM 0 HD13 LEU A 71 9.144 -4.985 6.139 1.00 12.53 H new ATOM 0 HD21 LEU A 71 6.895 -7.005 5.833 1.00 65.34 H new ATOM 0 HD22 LEU A 71 8.433 -7.271 6.688 1.00 65.34 H new ATOM 0 HD23 LEU A 71 6.889 -7.560 7.524 1.00 65.34 H new ATOM 1247 N GLN A 72 8.757 -5.651 11.717 1.00 34.03 N ATOM 1248 CA GLN A 72 9.670 -6.140 12.748 1.00 14.13 C ATOM 1249 C GLN A 72 10.856 -6.925 12.144 1.00 20.24 C ATOM 1250 O GLN A 72 11.297 -7.931 12.705 1.00 52.51 O ATOM 1251 CB GLN A 72 8.899 -6.936 13.811 1.00 4.33 C ATOM 1252 CG GLN A 72 7.720 -6.174 14.412 1.00 72.11 C ATOM 1253 CD GLN A 72 7.089 -6.933 15.566 1.00 71.11 C ATOM 1254 OE1 GLN A 72 6.783 -8.117 15.481 1.00 64.31 O ATOM 1255 NE2 GLN A 72 6.842 -6.247 16.666 1.00 20.21 N ATOM 0 H GLN A 72 8.631 -4.639 11.733 1.00 34.03 H new ATOM 0 HA GLN A 72 10.116 -5.281 13.250 1.00 14.13 H new ATOM 0 HB2 GLN A 72 8.533 -7.861 13.365 1.00 4.33 H new ATOM 0 HB3 GLN A 72 9.585 -7.217 14.611 1.00 4.33 H new ATOM 0 HG2 GLN A 72 8.057 -5.198 14.760 1.00 72.11 H new ATOM 0 HG3 GLN A 72 6.971 -5.996 13.641 1.00 72.11 H new ATOM 0 HE21 GLN A 72 7.102 -5.262 16.722 1.00 20.21 H new ATOM 0 HE22 GLN A 72 6.391 -6.701 17.460 1.00 20.21 H new ATOM 1264 N LEU A 73 11.348 -6.469 10.984 1.00 40.30 N ATOM 1265 CA LEU A 73 12.469 -7.051 10.238 1.00 60.00 C ATOM 1266 C LEU A 73 13.760 -7.083 11.061 1.00 20.45 C ATOM 1267 O LEU A 73 13.858 -6.440 12.108 1.00 63.10 O ATOM 1268 CB LEU A 73 12.700 -6.301 8.903 1.00 44.24 C ATOM 1269 CG LEU A 73 12.757 -4.763 8.895 1.00 61.12 C ATOM 1270 CD1 LEU A 73 11.363 -4.157 8.784 1.00 3.24 C ATOM 1271 CD2 LEU A 73 13.504 -4.062 10.034 1.00 64.33 C ATOM 0 H LEU A 73 10.957 -5.648 10.521 1.00 40.30 H new ATOM 0 HA LEU A 73 12.195 -8.083 10.017 1.00 60.00 H new ATOM 0 HB2 LEU A 73 13.638 -6.664 8.483 1.00 44.24 H new ATOM 0 HB3 LEU A 73 11.907 -6.602 8.219 1.00 44.24 H new ATOM 0 HG LEU A 73 13.365 -4.574 8.010 1.00 61.12 H new ATOM 0 HD11 LEU A 73 11.438 -3.070 8.781 1.00 3.24 H new ATOM 0 HD12 LEU A 73 10.894 -4.491 7.859 1.00 3.24 H new ATOM 0 HD13 LEU A 73 10.759 -4.477 9.633 1.00 3.24 H new ATOM 0 HD21 LEU A 73 13.457 -2.983 9.890 1.00 64.33 H new ATOM 0 HD22 LEU A 73 13.042 -4.322 10.986 1.00 64.33 H new ATOM 0 HD23 LEU A 73 14.546 -4.382 10.037 1.00 64.33 H new ATOM 1283 N ASN A 74 14.773 -7.806 10.573 1.00 54.52 N ATOM 1284 CA ASN A 74 16.054 -7.912 11.246 1.00 21.11 C ATOM 1285 C ASN A 74 16.773 -6.569 11.225 1.00 75.34 C ATOM 1286 O ASN A 74 16.599 -5.748 10.324 1.00 20.14 O ATOM 1287 CB ASN A 74 16.929 -8.977 10.560 1.00 41.10 C ATOM 1288 CG ASN A 74 17.118 -10.247 11.360 1.00 43.30 C ATOM 1289 OD1 ASN A 74 17.923 -11.149 10.848 1.00 65.24 O flip ATOM 1290 ND2 ASN A 74 16.584 -10.423 12.449 1.00 3.43 N flip ATOM 0 H ASN A 74 14.719 -8.331 9.700 1.00 54.52 H new ATOM 0 HA ASN A 74 15.878 -8.207 12.281 1.00 21.11 H new ATOM 0 HB2 ASN A 74 16.482 -9.232 9.599 1.00 41.10 H new ATOM 0 HB3 ASN A 74 17.908 -8.545 10.352 1.00 41.10 H new ATOM 0 HD21 ASN A 74 15.961 -9.712 12.832 1.00 3.43 H new ATOM 0 HD22 ASN A 74 16.762 -11.280 12.972 1.00 3.43 H new ATOM 1297 N ALA A 75 17.625 -6.369 12.218 1.00 44.53 N ATOM 1298 CA ALA A 75 18.425 -5.166 12.400 1.00 2.24 C ATOM 1299 C ALA A 75 19.629 -5.240 11.472 1.00 62.13 C ATOM 1300 O ALA A 75 20.098 -4.218 10.967 1.00 71.40 O ATOM 1301 CB ALA A 75 18.881 -5.065 13.862 1.00 74.13 C ATOM 0 H ALA A 75 17.785 -7.065 12.946 1.00 44.53 H new ATOM 0 HA ALA A 75 17.835 -4.281 12.162 1.00 2.24 H new ATOM 0 HB1 ALA A 75 19.479 -4.164 13.995 1.00 74.13 H new ATOM 0 HB2 ALA A 75 18.008 -5.020 14.513 1.00 74.13 H new ATOM 0 HB3 ALA A 75 19.480 -5.939 14.118 1.00 74.13 H new ATOM 1307 N ASN A 76 20.129 -6.460 11.269 1.00 15.41 N ATOM 1308 CA ASN A 76 21.263 -6.749 10.409 1.00 4.34 C ATOM 1309 C ASN A 76 20.845 -6.763 8.937 1.00 35.25 C ATOM 1310 O ASN A 76 21.731 -6.777 8.080 1.00 51.30 O ATOM 1311 CB ASN A 76 21.883 -8.100 10.789 1.00 61.40 C ATOM 1312 CG ASN A 76 20.849 -9.212 10.718 1.00 24.32 C ATOM 1313 OD1 ASN A 76 20.282 -9.575 11.854 1.00 74.41 O flip ATOM 1314 ND2 ASN A 76 20.448 -9.653 9.650 1.00 71.12 N flip ATOM 0 H ASN A 76 19.741 -7.292 11.713 1.00 15.41 H new ATOM 0 HA ASN A 76 22.004 -5.962 10.548 1.00 4.34 H new ATOM 0 HB2 ASN A 76 22.712 -8.326 10.118 1.00 61.40 H new ATOM 0 HB3 ASN A 76 22.295 -8.045 11.797 1.00 61.40 H new ATOM 0 HD21 ASN A 76 20.894 -9.365 8.779 1.00 71.12 H new ATOM 0 HD22 ASN A 76 19.667 -10.309 9.630 1.00 71.12 H new ATOM 1321 N GLN A 77 19.538 -6.755 8.630 1.00 71.12 N ATOM 1322 CA GLN A 77 19.073 -6.769 7.235 1.00 45.32 C ATOM 1323 C GLN A 77 18.404 -5.443 6.859 1.00 31.12 C ATOM 1324 O GLN A 77 17.864 -4.761 7.728 1.00 22.21 O ATOM 1325 CB GLN A 77 18.188 -7.993 6.942 1.00 70.23 C ATOM 1326 CG GLN A 77 16.704 -7.737 7.232 1.00 13.14 C ATOM 1327 CD GLN A 77 15.764 -8.869 6.834 1.00 71.31 C ATOM 1328 OE1 GLN A 77 14.819 -9.171 7.558 1.00 51.23 O ATOM 1329 NE2 GLN A 77 15.922 -9.437 5.648 1.00 33.44 N ATOM 0 H GLN A 77 18.790 -6.739 9.323 1.00 71.12 H new ATOM 0 HA GLN A 77 19.947 -6.869 6.591 1.00 45.32 H new ATOM 0 HB2 GLN A 77 18.305 -8.278 5.897 1.00 70.23 H new ATOM 0 HB3 GLN A 77 18.531 -8.836 7.543 1.00 70.23 H new ATOM 0 HG2 GLN A 77 16.586 -7.545 8.298 1.00 13.14 H new ATOM 0 HG3 GLN A 77 16.398 -6.831 6.709 1.00 13.14 H new ATOM 0 HE21 GLN A 77 16.712 -9.175 5.058 1.00 33.44 H new ATOM 0 HE22 GLN A 77 15.254 -10.136 5.324 1.00 33.44 H new ATOM 1338 N ALA A 78 18.439 -5.062 5.584 1.00 43.34 N ATOM 1339 CA ALA A 78 17.846 -3.837 5.044 1.00 11.31 C ATOM 1340 C ALA A 78 16.784 -4.136 3.977 1.00 22.01 C ATOM 1341 O ALA A 78 16.527 -5.305 3.664 1.00 43.42 O ATOM 1342 CB ALA A 78 18.966 -2.953 4.489 1.00 51.20 C ATOM 0 H ALA A 78 18.901 -5.621 4.867 1.00 43.34 H new ATOM 0 HA ALA A 78 17.329 -3.309 5.845 1.00 11.31 H new ATOM 0 HB1 ALA A 78 18.539 -2.036 4.083 1.00 51.20 H new ATOM 0 HB2 ALA A 78 19.664 -2.705 5.289 1.00 51.20 H new ATOM 0 HB3 ALA A 78 19.494 -3.488 3.699 1.00 51.20 H new ATOM 1348 N PHE A 79 16.105 -3.102 3.465 1.00 60.42 N ATOM 1349 CA PHE A 79 15.113 -3.243 2.400 1.00 10.11 C ATOM 1350 C PHE A 79 15.019 -1.972 1.556 1.00 24.35 C ATOM 1351 O PHE A 79 15.561 -0.933 1.938 1.00 72.31 O ATOM 1352 CB PHE A 79 13.733 -3.619 2.950 1.00 11.51 C ATOM 1353 CG PHE A 79 12.723 -2.493 3.037 1.00 43.14 C ATOM 1354 CD1 PHE A 79 12.945 -1.398 3.888 1.00 41.13 C ATOM 1355 CD2 PHE A 79 11.587 -2.518 2.212 1.00 53.41 C ATOM 1356 CE1 PHE A 79 12.005 -0.360 3.947 1.00 33.01 C ATOM 1357 CE2 PHE A 79 10.628 -1.498 2.298 1.00 13.53 C ATOM 1358 CZ PHE A 79 10.831 -0.423 3.177 1.00 14.22 C ATOM 0 H PHE A 79 16.231 -2.141 3.782 1.00 60.42 H new ATOM 0 HA PHE A 79 15.452 -4.058 1.761 1.00 10.11 H new ATOM 0 HB2 PHE A 79 13.316 -4.407 2.322 1.00 11.51 H new ATOM 0 HB3 PHE A 79 13.864 -4.041 3.946 1.00 11.51 H new ATOM 0 HD1 PHE A 79 13.837 -1.356 4.495 1.00 41.13 H new ATOM 0 HD2 PHE A 79 11.451 -3.326 1.508 1.00 53.41 H new ATOM 0 HE1 PHE A 79 12.184 0.492 4.587 1.00 33.01 H new ATOM 0 HE2 PHE A 79 9.736 -1.540 1.690 1.00 13.53 H new ATOM 0 HZ PHE A 79 10.086 0.355 3.262 1.00 14.22 H new ATOM 1368 N PHE A 80 14.302 -2.067 0.437 1.00 11.53 N ATOM 1369 CA PHE A 80 14.033 -1.001 -0.510 1.00 60.44 C ATOM 1370 C PHE A 80 12.569 -1.113 -0.926 1.00 43.24 C ATOM 1371 O PHE A 80 11.937 -2.172 -0.810 1.00 4.15 O ATOM 1372 CB PHE A 80 14.949 -1.082 -1.733 1.00 44.23 C ATOM 1373 CG PHE A 80 16.419 -0.945 -1.390 1.00 44.50 C ATOM 1374 CD1 PHE A 80 17.151 -2.059 -0.938 1.00 44.41 C ATOM 1375 CD2 PHE A 80 17.042 0.316 -1.460 1.00 15.53 C ATOM 1376 CE1 PHE A 80 18.496 -1.918 -0.562 1.00 44.33 C ATOM 1377 CE2 PHE A 80 18.386 0.460 -1.083 1.00 44.30 C ATOM 1378 CZ PHE A 80 19.109 -0.657 -0.635 1.00 42.51 C ATOM 0 H PHE A 80 13.870 -2.947 0.156 1.00 11.53 H new ATOM 0 HA PHE A 80 14.229 -0.037 -0.041 1.00 60.44 H new ATOM 0 HB2 PHE A 80 14.788 -2.035 -2.237 1.00 44.23 H new ATOM 0 HB3 PHE A 80 14.673 -0.298 -2.438 1.00 44.23 H new ATOM 0 HD1 PHE A 80 16.675 -3.027 -0.880 1.00 44.41 H new ATOM 0 HD2 PHE A 80 16.484 1.174 -1.805 1.00 15.53 H new ATOM 0 HE1 PHE A 80 19.056 -2.775 -0.218 1.00 44.33 H new ATOM 0 HE2 PHE A 80 18.863 1.427 -1.137 1.00 44.30 H new ATOM 0 HZ PHE A 80 20.143 -0.546 -0.345 1.00 42.51 H new ATOM 1388 N LEU A 81 12.028 -0.016 -1.444 1.00 71.00 N ATOM 1389 CA LEU A 81 10.649 0.071 -1.879 1.00 22.23 C ATOM 1390 C LEU A 81 10.652 0.665 -3.278 1.00 35.35 C ATOM 1391 O LEU A 81 11.353 1.639 -3.542 1.00 42.44 O ATOM 1392 CB LEU A 81 9.874 0.873 -0.827 1.00 11.23 C ATOM 1393 CG LEU A 81 8.384 0.519 -0.836 1.00 51.41 C ATOM 1394 CD1 LEU A 81 7.774 0.685 0.557 1.00 72.43 C ATOM 1395 CD2 LEU A 81 7.613 1.399 -1.813 1.00 14.14 C ATOM 0 H LEU A 81 12.550 0.851 -1.573 1.00 71.00 H new ATOM 0 HA LEU A 81 10.143 -0.892 -1.953 1.00 22.23 H new ATOM 0 HB2 LEU A 81 10.290 0.676 0.161 1.00 11.23 H new ATOM 0 HB3 LEU A 81 9.997 1.939 -1.018 1.00 11.23 H new ATOM 0 HG LEU A 81 8.306 -0.522 -1.149 1.00 51.41 H new ATOM 0 HD11 LEU A 81 6.715 0.428 0.524 1.00 72.43 H new ATOM 0 HD12 LEU A 81 8.286 0.027 1.259 1.00 72.43 H new ATOM 0 HD13 LEU A 81 7.886 1.719 0.882 1.00 72.43 H new ATOM 0 HD21 LEU A 81 6.559 1.124 -1.797 1.00 14.14 H new ATOM 0 HD22 LEU A 81 7.720 2.444 -1.523 1.00 14.14 H new ATOM 0 HD23 LEU A 81 8.009 1.259 -2.819 1.00 14.14 H new ATOM 1407 N LEU A 82 9.891 0.051 -4.174 1.00 54.40 N ATOM 1408 CA LEU A 82 9.770 0.421 -5.572 1.00 22.42 C ATOM 1409 C LEU A 82 8.325 0.818 -5.870 1.00 45.22 C ATOM 1410 O LEU A 82 7.388 0.355 -5.206 1.00 11.52 O ATOM 1411 CB LEU A 82 10.213 -0.762 -6.449 1.00 73.34 C ATOM 1412 CG LEU A 82 11.525 -1.481 -6.041 1.00 31.13 C ATOM 1413 CD1 LEU A 82 11.238 -2.675 -5.115 1.00 62.10 C ATOM 1414 CD2 LEU A 82 12.228 -1.965 -7.314 1.00 73.44 C ATOM 0 H LEU A 82 9.316 -0.756 -3.931 1.00 54.40 H new ATOM 0 HA LEU A 82 10.411 1.274 -5.793 1.00 22.42 H new ATOM 0 HB2 LEU A 82 9.410 -1.499 -6.457 1.00 73.34 H new ATOM 0 HB3 LEU A 82 10.326 -0.403 -7.472 1.00 73.34 H new ATOM 0 HG LEU A 82 12.162 -0.784 -5.496 1.00 31.13 H new ATOM 0 HD11 LEU A 82 12.176 -3.160 -4.845 1.00 62.10 H new ATOM 0 HD12 LEU A 82 10.738 -2.323 -4.212 1.00 62.10 H new ATOM 0 HD13 LEU A 82 10.596 -3.389 -5.630 1.00 62.10 H new ATOM 0 HD21 LEU A 82 13.154 -2.474 -7.047 1.00 73.44 H new ATOM 0 HD22 LEU A 82 11.576 -2.655 -7.850 1.00 73.44 H new ATOM 0 HD23 LEU A 82 12.454 -1.111 -7.952 1.00 73.44 H new ATOM 1426 N VAL A 83 8.116 1.658 -6.875 1.00 32.22 N ATOM 1427 CA VAL A 83 6.812 2.136 -7.309 1.00 31.12 C ATOM 1428 C VAL A 83 6.568 1.529 -8.684 1.00 44.12 C ATOM 1429 O VAL A 83 7.482 1.505 -9.492 1.00 74.44 O ATOM 1430 CB VAL A 83 6.803 3.676 -7.314 1.00 23.35 C ATOM 1431 CG1 VAL A 83 5.392 4.156 -7.675 1.00 24.04 C ATOM 1432 CG2 VAL A 83 7.224 4.238 -5.941 1.00 55.43 C ATOM 0 H VAL A 83 8.881 2.039 -7.431 1.00 32.22 H new ATOM 0 HA VAL A 83 6.007 1.835 -6.639 1.00 31.12 H new ATOM 0 HB VAL A 83 7.521 4.037 -8.051 1.00 23.35 H new ATOM 0 HG11 VAL A 83 5.369 5.246 -7.683 1.00 24.04 H new ATOM 0 HG12 VAL A 83 5.121 3.780 -8.662 1.00 24.04 H new ATOM 0 HG13 VAL A 83 4.681 3.783 -6.937 1.00 24.04 H new ATOM 0 HG21 VAL A 83 7.209 5.327 -5.974 1.00 55.43 H new ATOM 0 HG22 VAL A 83 6.530 3.888 -5.176 1.00 55.43 H new ATOM 0 HG23 VAL A 83 8.231 3.896 -5.701 1.00 55.43 H new ATOM 1442 N ASN A 84 5.389 0.957 -8.943 1.00 72.33 N ATOM 1443 CA ASN A 84 5.052 0.327 -10.229 1.00 61.14 C ATOM 1444 C ASN A 84 6.090 -0.718 -10.731 1.00 64.21 C ATOM 1445 O ASN A 84 6.085 -1.092 -11.908 1.00 22.42 O ATOM 1446 CB ASN A 84 4.839 1.409 -11.308 1.00 42.52 C ATOM 1447 CG ASN A 84 3.599 2.256 -11.137 1.00 45.42 C ATOM 1448 OD1 ASN A 84 2.521 1.729 -10.879 1.00 61.24 O ATOM 1449 ND2 ASN A 84 3.714 3.555 -11.314 1.00 13.24 N ATOM 0 H ASN A 84 4.632 0.916 -8.261 1.00 72.33 H new ATOM 0 HA ASN A 84 4.132 -0.229 -10.050 1.00 61.14 H new ATOM 0 HB2 ASN A 84 5.709 2.066 -11.317 1.00 42.52 H new ATOM 0 HB3 ASN A 84 4.796 0.923 -12.283 1.00 42.52 H new ATOM 0 HD21 ASN A 84 2.893 4.155 -11.238 1.00 13.24 H new ATOM 0 HD22 ASN A 84 4.625 3.962 -11.527 1.00 13.24 H new ATOM 1456 N GLY A 85 6.987 -1.208 -9.870 1.00 32.41 N ATOM 1457 CA GLY A 85 8.042 -2.173 -10.147 1.00 22.14 C ATOM 1458 C GLY A 85 9.414 -1.522 -10.363 1.00 61.34 C ATOM 1459 O GLY A 85 10.333 -2.208 -10.823 1.00 74.40 O ATOM 0 H GLY A 85 6.990 -0.916 -8.893 1.00 32.41 H new ATOM 0 HA2 GLY A 85 8.108 -2.878 -9.318 1.00 22.14 H new ATOM 0 HA3 GLY A 85 7.776 -2.748 -11.034 1.00 22.14 H new ATOM 1463 N HIS A 86 9.584 -0.235 -10.031 1.00 11.13 N ATOM 1464 CA HIS A 86 10.825 0.509 -10.209 1.00 44.24 C ATOM 1465 C HIS A 86 10.977 1.633 -9.164 1.00 70.00 C ATOM 1466 O HIS A 86 10.027 2.342 -8.846 1.00 43.53 O ATOM 1467 CB HIS A 86 10.800 1.054 -11.643 1.00 74.12 C ATOM 1468 CG HIS A 86 9.673 1.975 -11.996 1.00 3.51 C ATOM 1469 ND1 HIS A 86 9.782 3.331 -12.135 1.00 1.33 N ATOM 1470 CD2 HIS A 86 8.416 1.606 -12.393 1.00 73.21 C ATOM 1471 CE1 HIS A 86 8.604 3.769 -12.598 1.00 22.44 C ATOM 1472 NE2 HIS A 86 7.758 2.751 -12.832 1.00 2.43 N ATOM 0 H HIS A 86 8.838 0.327 -9.621 1.00 11.13 H new ATOM 0 HA HIS A 86 11.690 -0.136 -10.057 1.00 44.24 H new ATOM 0 HB2 HIS A 86 11.738 1.580 -11.823 1.00 74.12 H new ATOM 0 HB3 HIS A 86 10.773 0.207 -12.328 1.00 74.12 H new ATOM 0 HD2 HIS A 86 8.008 0.606 -12.370 1.00 73.21 H new ATOM 0 HE1 HIS A 86 8.364 4.809 -12.763 1.00 22.44 H new ATOM 0 HE2 HIS A 86 6.827 2.806 -13.245 1.00 2.43 H new ATOM 1480 N SER A 87 12.143 1.784 -8.535 1.00 25.14 N ATOM 1481 CA SER A 87 12.364 2.835 -7.538 1.00 52.52 C ATOM 1482 C SER A 87 12.955 4.070 -8.236 1.00 31.13 C ATOM 1483 O SER A 87 14.172 4.252 -8.259 1.00 51.22 O ATOM 1484 CB SER A 87 13.228 2.302 -6.385 1.00 60.02 C ATOM 1485 OG SER A 87 12.926 2.984 -5.178 1.00 72.34 O ATOM 0 H SER A 87 12.954 1.188 -8.699 1.00 25.14 H new ATOM 0 HA SER A 87 11.422 3.143 -7.084 1.00 52.52 H new ATOM 0 HB2 SER A 87 13.055 1.233 -6.258 1.00 60.02 H new ATOM 0 HB3 SER A 87 14.284 2.428 -6.626 1.00 60.02 H new ATOM 0 HG SER A 87 12.156 2.559 -4.746 1.00 72.34 H new ATOM 1491 N MET A 88 12.099 4.938 -8.793 1.00 51.52 N ATOM 1492 CA MET A 88 12.553 6.147 -9.494 1.00 11.34 C ATOM 1493 C MET A 88 12.453 7.425 -8.658 1.00 34.42 C ATOM 1494 O MET A 88 12.711 8.510 -9.187 1.00 75.00 O ATOM 1495 CB MET A 88 11.809 6.328 -10.832 1.00 61.04 C ATOM 1496 CG MET A 88 10.354 6.820 -10.750 1.00 4.12 C ATOM 1497 SD MET A 88 9.992 8.153 -11.936 1.00 14.24 S ATOM 1498 CE MET A 88 8.220 8.370 -11.624 1.00 31.25 C ATOM 0 H MET A 88 11.086 4.825 -8.771 1.00 51.52 H new ATOM 0 HA MET A 88 13.614 5.986 -9.686 1.00 11.34 H new ATOM 0 HB2 MET A 88 12.373 7.033 -11.443 1.00 61.04 H new ATOM 0 HB3 MET A 88 11.817 5.373 -11.358 1.00 61.04 H new ATOM 0 HG2 MET A 88 9.681 5.983 -10.935 1.00 4.12 H new ATOM 0 HG3 MET A 88 10.151 7.174 -9.739 1.00 4.12 H new ATOM 0 HE1 MET A 88 7.901 9.343 -11.997 1.00 31.25 H new ATOM 0 HE2 MET A 88 7.662 7.585 -12.134 1.00 31.25 H new ATOM 0 HE3 MET A 88 8.030 8.313 -10.552 1.00 31.25 H new ATOM 1508 N VAL A 89 12.084 7.333 -7.379 1.00 32.05 N ATOM 1509 CA VAL A 89 11.914 8.501 -6.522 1.00 54.41 C ATOM 1510 C VAL A 89 12.692 8.400 -5.205 1.00 62.01 C ATOM 1511 O VAL A 89 13.165 7.330 -4.824 1.00 40.14 O ATOM 1512 CB VAL A 89 10.389 8.722 -6.385 1.00 55.11 C ATOM 1513 CG1 VAL A 89 9.702 7.764 -5.400 1.00 22.13 C ATOM 1514 CG2 VAL A 89 10.058 10.177 -6.049 1.00 54.44 C ATOM 0 H VAL A 89 11.895 6.446 -6.911 1.00 32.05 H new ATOM 0 HA VAL A 89 12.359 9.392 -6.965 1.00 54.41 H new ATOM 0 HB VAL A 89 9.979 8.487 -7.367 1.00 55.11 H new ATOM 0 HG11 VAL A 89 8.635 7.985 -5.362 1.00 22.13 H new ATOM 0 HG12 VAL A 89 9.848 6.736 -5.731 1.00 22.13 H new ATOM 0 HG13 VAL A 89 10.134 7.891 -4.408 1.00 22.13 H new ATOM 0 HG21 VAL A 89 8.978 10.293 -5.961 1.00 54.44 H new ATOM 0 HG22 VAL A 89 10.531 10.449 -5.105 1.00 54.44 H new ATOM 0 HG23 VAL A 89 10.429 10.827 -6.841 1.00 54.44 H new ATOM 1524 N SER A 90 12.858 9.546 -4.540 1.00 55.40 N ATOM 1525 CA SER A 90 13.557 9.690 -3.270 1.00 4.15 C ATOM 1526 C SER A 90 12.735 9.117 -2.098 1.00 64.20 C ATOM 1527 O SER A 90 11.582 8.720 -2.259 1.00 15.32 O ATOM 1528 CB SER A 90 13.860 11.182 -3.054 1.00 60.31 C ATOM 1529 OG SER A 90 14.647 11.724 -4.104 1.00 54.50 O ATOM 0 H SER A 90 12.493 10.432 -4.890 1.00 55.40 H new ATOM 0 HA SER A 90 14.486 9.121 -3.303 1.00 4.15 H new ATOM 0 HB2 SER A 90 12.923 11.735 -2.981 1.00 60.31 H new ATOM 0 HB3 SER A 90 14.382 11.312 -2.106 1.00 60.31 H new ATOM 0 HG SER A 90 14.816 12.674 -3.930 1.00 54.50 H new ATOM 1535 N VAL A 91 13.313 9.135 -0.891 1.00 74.13 N ATOM 1536 CA VAL A 91 12.698 8.632 0.343 1.00 2.54 C ATOM 1537 C VAL A 91 12.179 9.726 1.290 1.00 40.51 C ATOM 1538 O VAL A 91 11.633 9.426 2.353 1.00 42.10 O ATOM 1539 CB VAL A 91 13.701 7.721 1.065 1.00 71.41 C ATOM 1540 CG1 VAL A 91 14.011 6.471 0.237 1.00 35.44 C ATOM 1541 CG2 VAL A 91 15.007 8.438 1.408 1.00 2.42 C ATOM 0 H VAL A 91 14.249 9.511 -0.742 1.00 74.13 H new ATOM 0 HA VAL A 91 11.810 8.075 0.046 1.00 2.54 H new ATOM 0 HB VAL A 91 13.222 7.429 1.999 1.00 71.41 H new ATOM 0 HG11 VAL A 91 14.724 5.846 0.775 1.00 35.44 H new ATOM 0 HG12 VAL A 91 13.092 5.910 0.067 1.00 35.44 H new ATOM 0 HG13 VAL A 91 14.438 6.766 -0.722 1.00 35.44 H new ATOM 0 HG21 VAL A 91 15.679 7.747 1.917 1.00 2.42 H new ATOM 0 HG22 VAL A 91 15.478 8.794 0.492 1.00 2.42 H new ATOM 0 HG23 VAL A 91 14.796 9.286 2.060 1.00 2.42 H new ATOM 1551 N SER A 92 12.355 11.001 0.956 1.00 1.24 N ATOM 1552 CA SER A 92 11.916 12.141 1.769 1.00 74.40 C ATOM 1553 C SER A 92 10.786 12.933 1.101 1.00 40.54 C ATOM 1554 O SER A 92 10.328 13.944 1.630 1.00 24.24 O ATOM 1555 CB SER A 92 13.132 13.017 2.098 1.00 64.42 C ATOM 1556 OG SER A 92 14.061 13.131 1.028 1.00 12.44 O ATOM 0 H SER A 92 12.818 11.282 0.092 1.00 1.24 H new ATOM 0 HA SER A 92 11.490 11.768 2.700 1.00 74.40 H new ATOM 0 HB2 SER A 92 12.787 14.013 2.375 1.00 64.42 H new ATOM 0 HB3 SER A 92 13.642 12.603 2.968 1.00 64.42 H new ATOM 0 HG SER A 92 14.808 13.702 1.303 1.00 12.44 H new ATOM 1562 N THR A 93 10.345 12.488 -0.065 1.00 51.43 N ATOM 1563 CA THR A 93 9.322 13.034 -0.919 1.00 44.51 C ATOM 1564 C THR A 93 7.902 12.773 -0.380 1.00 75.02 C ATOM 1565 O THR A 93 7.702 11.813 0.379 1.00 43.53 O ATOM 1566 CB THR A 93 9.546 12.346 -2.291 1.00 63.23 C ATOM 1567 OG1 THR A 93 10.472 11.265 -2.257 1.00 60.30 O ATOM 1568 CG2 THR A 93 10.167 13.331 -3.278 1.00 32.22 C ATOM 0 H THR A 93 10.744 11.643 -0.473 1.00 51.43 H new ATOM 0 HA THR A 93 9.395 14.120 -0.983 1.00 44.51 H new ATOM 0 HB THR A 93 8.556 11.989 -2.575 1.00 63.23 H new ATOM 0 HG1 THR A 93 9.989 10.418 -2.354 1.00 60.30 H new ATOM 0 HG21 THR A 93 10.320 12.837 -4.238 1.00 32.22 H new ATOM 0 HG22 THR A 93 9.500 14.183 -3.410 1.00 32.22 H new ATOM 0 HG23 THR A 93 11.126 13.678 -2.892 1.00 32.22 H new ATOM 1576 N PRO A 94 6.906 13.600 -0.753 1.00 53.53 N ATOM 1577 CA PRO A 94 5.525 13.429 -0.335 1.00 22.21 C ATOM 1578 C PRO A 94 4.854 12.416 -1.266 1.00 24.44 C ATOM 1579 O PRO A 94 4.858 12.564 -2.500 1.00 53.40 O ATOM 1580 CB PRO A 94 4.873 14.799 -0.469 1.00 62.01 C ATOM 1581 CG PRO A 94 5.672 15.494 -1.572 1.00 21.05 C ATOM 1582 CD PRO A 94 7.022 14.766 -1.619 1.00 55.53 C ATOM 0 HA PRO A 94 5.438 13.060 0.687 1.00 22.21 H new ATOM 0 HB2 PRO A 94 3.819 14.713 -0.735 1.00 62.01 H new ATOM 0 HB3 PRO A 94 4.921 15.355 0.467 1.00 62.01 H new ATOM 0 HG2 PRO A 94 5.157 15.429 -2.530 1.00 21.05 H new ATOM 0 HG3 PRO A 94 5.805 16.553 -1.353 1.00 21.05 H new ATOM 0 HD2 PRO A 94 7.264 14.467 -2.639 1.00 55.53 H new ATOM 0 HD3 PRO A 94 7.825 15.420 -1.280 1.00 55.53 H new ATOM 1590 N ILE A 95 4.222 11.391 -0.686 1.00 52.33 N ATOM 1591 CA ILE A 95 3.573 10.390 -1.518 1.00 60.24 C ATOM 1592 C ILE A 95 2.442 11.026 -2.336 1.00 41.22 C ATOM 1593 O ILE A 95 2.022 10.414 -3.300 1.00 22.01 O ATOM 1594 CB ILE A 95 3.209 9.116 -0.728 1.00 32.31 C ATOM 1595 CG1 ILE A 95 3.083 7.838 -1.579 1.00 35.03 C ATOM 1596 CG2 ILE A 95 1.901 9.309 0.016 1.00 35.22 C ATOM 1597 CD1 ILE A 95 4.442 7.289 -2.009 1.00 51.31 C ATOM 0 H ILE A 95 4.150 11.240 0.320 1.00 52.33 H new ATOM 0 HA ILE A 95 4.281 10.018 -2.258 1.00 60.24 H new ATOM 0 HB ILE A 95 4.048 8.970 -0.048 1.00 32.31 H new ATOM 0 HG12 ILE A 95 2.550 7.077 -1.010 1.00 35.03 H new ATOM 0 HG13 ILE A 95 2.484 8.052 -2.464 1.00 35.03 H new ATOM 0 HG21 ILE A 95 1.659 8.401 0.568 1.00 35.22 H new ATOM 0 HG22 ILE A 95 1.998 10.142 0.712 1.00 35.22 H new ATOM 0 HG23 ILE A 95 1.105 9.523 -0.697 1.00 35.22 H new ATOM 0 HD11 ILE A 95 4.298 6.388 -2.606 1.00 51.31 H new ATOM 0 HD12 ILE A 95 4.966 8.038 -2.603 1.00 51.31 H new ATOM 0 HD13 ILE A 95 5.033 7.048 -1.125 1.00 51.31 H new ATOM 1609 N SER A 96 1.907 12.201 -1.970 1.00 74.45 N ATOM 1610 CA SER A 96 0.847 12.844 -2.748 1.00 22.44 C ATOM 1611 C SER A 96 1.389 13.231 -4.141 1.00 24.01 C ATOM 1612 O SER A 96 0.676 13.089 -5.140 1.00 24.11 O ATOM 1613 CB SER A 96 0.263 14.040 -1.981 1.00 24.32 C ATOM 1614 OG SER A 96 -1.119 14.181 -2.256 1.00 11.21 O ATOM 0 H SER A 96 2.193 12.721 -1.141 1.00 74.45 H new ATOM 0 HA SER A 96 0.024 12.146 -2.900 1.00 22.44 H new ATOM 0 HB2 SER A 96 0.414 13.901 -0.910 1.00 24.32 H new ATOM 0 HB3 SER A 96 0.790 14.952 -2.262 1.00 24.32 H new ATOM 0 HG SER A 96 -1.475 14.946 -1.758 1.00 11.21 H new ATOM 1620 N GLU A 97 2.623 13.756 -4.240 1.00 41.53 N ATOM 1621 CA GLU A 97 3.154 14.091 -5.556 1.00 60.24 C ATOM 1622 C GLU A 97 3.518 12.764 -6.224 1.00 62.42 C ATOM 1623 O GLU A 97 3.284 12.616 -7.424 1.00 64.01 O ATOM 1624 CB GLU A 97 4.283 15.135 -5.528 1.00 23.13 C ATOM 1625 CG GLU A 97 5.682 14.563 -5.285 1.00 1.24 C ATOM 1626 CD GLU A 97 6.822 15.579 -5.406 1.00 54.44 C ATOM 1627 OE1 GLU A 97 6.577 16.794 -5.587 1.00 62.44 O ATOM 1628 OE2 GLU A 97 7.991 15.134 -5.351 1.00 4.45 O ATOM 0 H GLU A 97 3.244 13.949 -3.454 1.00 41.53 H new ATOM 0 HA GLU A 97 2.403 14.608 -6.154 1.00 60.24 H new ATOM 0 HB2 GLU A 97 4.285 15.672 -6.476 1.00 23.13 H new ATOM 0 HB3 GLU A 97 4.064 15.865 -4.749 1.00 23.13 H new ATOM 0 HG2 GLU A 97 5.711 14.123 -4.288 1.00 1.24 H new ATOM 0 HG3 GLU A 97 5.857 13.755 -5.996 1.00 1.24 H new ATOM 1635 N VAL A 98 4.047 11.782 -5.463 1.00 23.01 N ATOM 1636 CA VAL A 98 4.373 10.485 -6.073 1.00 55.13 C ATOM 1637 C VAL A 98 3.083 9.895 -6.668 1.00 71.25 C ATOM 1638 O VAL A 98 3.113 9.352 -7.767 1.00 23.03 O ATOM 1639 CB VAL A 98 5.005 9.500 -5.069 1.00 42.41 C ATOM 1640 CG1 VAL A 98 5.412 8.179 -5.740 1.00 12.32 C ATOM 1641 CG2 VAL A 98 6.274 10.055 -4.414 1.00 40.54 C ATOM 0 H VAL A 98 4.249 11.859 -4.466 1.00 23.01 H new ATOM 0 HA VAL A 98 5.119 10.645 -6.852 1.00 55.13 H new ATOM 0 HB VAL A 98 4.230 9.340 -4.320 1.00 42.41 H new ATOM 0 HG11 VAL A 98 5.853 7.514 -4.997 1.00 12.32 H new ATOM 0 HG12 VAL A 98 4.532 7.705 -6.174 1.00 12.32 H new ATOM 0 HG13 VAL A 98 6.141 8.379 -6.525 1.00 12.32 H new ATOM 0 HG21 VAL A 98 6.675 9.319 -3.717 1.00 40.54 H new ATOM 0 HG22 VAL A 98 7.016 10.269 -5.183 1.00 40.54 H new ATOM 0 HG23 VAL A 98 6.034 10.972 -3.875 1.00 40.54 H new ATOM 1651 N TYR A 99 1.953 10.036 -5.968 1.00 42.35 N ATOM 1652 CA TYR A 99 0.640 9.564 -6.353 1.00 12.10 C ATOM 1653 C TYR A 99 0.309 10.154 -7.702 1.00 64.13 C ATOM 1654 O TYR A 99 0.187 9.384 -8.644 1.00 24.50 O ATOM 1655 CB TYR A 99 -0.398 9.962 -5.293 1.00 31.41 C ATOM 1656 CG TYR A 99 -1.802 9.427 -5.477 1.00 4.31 C ATOM 1657 CD1 TYR A 99 -2.103 8.117 -5.069 1.00 15.12 C ATOM 1658 CD2 TYR A 99 -2.832 10.266 -5.940 1.00 11.44 C ATOM 1659 CE1 TYR A 99 -3.416 7.628 -5.129 1.00 34.14 C ATOM 1660 CE2 TYR A 99 -4.154 9.791 -5.980 1.00 41.31 C ATOM 1661 CZ TYR A 99 -4.452 8.474 -5.570 1.00 60.25 C ATOM 1662 OH TYR A 99 -5.723 8.006 -5.635 1.00 20.22 O ATOM 0 H TYR A 99 1.941 10.512 -5.066 1.00 42.35 H new ATOM 0 HA TYR A 99 0.627 8.476 -6.422 1.00 12.10 H new ATOM 0 HB2 TYR A 99 -0.034 9.632 -4.320 1.00 31.41 H new ATOM 0 HB3 TYR A 99 -0.451 11.050 -5.261 1.00 31.41 H new ATOM 0 HD1 TYR A 99 -1.313 7.478 -4.704 1.00 15.12 H new ATOM 0 HD2 TYR A 99 -2.608 11.272 -6.264 1.00 11.44 H new ATOM 0 HE1 TYR A 99 -3.631 6.610 -4.839 1.00 34.14 H new ATOM 0 HE2 TYR A 99 -4.947 10.438 -6.327 1.00 41.31 H new ATOM 0 HH TYR A 99 -5.774 7.289 -6.301 1.00 20.22 H new ATOM 1672 N GLU A 100 0.223 11.481 -7.830 1.00 3.44 N ATOM 1673 CA GLU A 100 -0.093 12.063 -9.128 1.00 34.30 C ATOM 1674 C GLU A 100 0.996 11.842 -10.201 1.00 41.23 C ATOM 1675 O GLU A 100 0.696 12.032 -11.379 1.00 2.04 O ATOM 1676 CB GLU A 100 -0.584 13.506 -9.007 1.00 20.14 C ATOM 1677 CG GLU A 100 0.413 14.491 -8.392 1.00 35.50 C ATOM 1678 CD GLU A 100 0.113 15.930 -8.823 1.00 13.02 C ATOM 1679 OE1 GLU A 100 0.014 16.220 -10.044 1.00 34.11 O ATOM 1680 OE2 GLU A 100 -0.065 16.793 -7.930 1.00 74.45 O ATOM 0 H GLU A 100 0.363 12.151 -7.074 1.00 3.44 H new ATOM 0 HA GLU A 100 -0.940 11.497 -9.516 1.00 34.30 H new ATOM 0 HB2 GLU A 100 -0.856 13.864 -10.000 1.00 20.14 H new ATOM 0 HB3 GLU A 100 -1.493 13.513 -8.406 1.00 20.14 H new ATOM 0 HG2 GLU A 100 0.375 14.419 -7.305 1.00 35.50 H new ATOM 0 HG3 GLU A 100 1.425 14.223 -8.694 1.00 35.50 H new ATOM 1687 N SER A 101 2.212 11.405 -9.846 1.00 42.44 N ATOM 1688 CA SER A 101 3.278 11.153 -10.817 1.00 11.44 C ATOM 1689 C SER A 101 3.359 9.696 -11.290 1.00 60.13 C ATOM 1690 O SER A 101 3.809 9.452 -12.410 1.00 23.01 O ATOM 1691 CB SER A 101 4.645 11.466 -10.197 1.00 34.02 C ATOM 1692 OG SER A 101 4.730 12.769 -9.656 1.00 53.44 O ATOM 0 H SER A 101 2.481 11.218 -8.880 1.00 42.44 H new ATOM 0 HA SER A 101 3.037 11.794 -11.665 1.00 11.44 H new ATOM 0 HB2 SER A 101 4.854 10.740 -9.411 1.00 34.02 H new ATOM 0 HB3 SER A 101 5.417 11.345 -10.957 1.00 34.02 H new ATOM 0 HG SER A 101 4.343 12.775 -8.755 1.00 53.44 H new ATOM 1698 N GLU A 102 2.878 8.730 -10.511 1.00 24.30 N ATOM 1699 CA GLU A 102 2.948 7.294 -10.813 1.00 35.34 C ATOM 1700 C GLU A 102 1.573 6.618 -10.926 1.00 55.32 C ATOM 1701 O GLU A 102 1.484 5.436 -11.246 1.00 72.13 O ATOM 1702 CB GLU A 102 3.781 6.673 -9.677 1.00 75.32 C ATOM 1703 CG GLU A 102 5.261 7.113 -9.668 1.00 53.40 C ATOM 1704 CD GLU A 102 6.231 6.076 -10.240 1.00 62.13 C ATOM 1705 OE1 GLU A 102 5.847 5.355 -11.189 1.00 43.50 O ATOM 1706 OE2 GLU A 102 7.370 6.033 -9.722 1.00 2.23 O ATOM 0 H GLU A 102 2.414 8.926 -9.624 1.00 24.30 H new ATOM 0 HA GLU A 102 3.400 7.143 -11.793 1.00 35.34 H new ATOM 0 HB2 GLU A 102 3.328 6.939 -8.722 1.00 75.32 H new ATOM 0 HB3 GLU A 102 3.736 5.587 -9.760 1.00 75.32 H new ATOM 0 HG2 GLU A 102 5.357 8.036 -10.239 1.00 53.40 H new ATOM 0 HG3 GLU A 102 5.554 7.340 -8.643 1.00 53.40 H new ATOM 1713 N LYS A 103 0.504 7.379 -10.695 1.00 60.43 N ATOM 1714 CA LYS A 103 -0.908 6.992 -10.717 1.00 75.11 C ATOM 1715 C LYS A 103 -1.397 6.231 -11.942 1.00 60.53 C ATOM 1716 O LYS A 103 -1.274 6.712 -13.075 1.00 53.31 O ATOM 1717 CB LYS A 103 -1.784 8.251 -10.625 1.00 23.52 C ATOM 1718 CG LYS A 103 -1.241 9.412 -11.483 1.00 20.22 C ATOM 1719 CD LYS A 103 -2.232 10.563 -11.630 1.00 61.54 C ATOM 1720 CE LYS A 103 -3.424 10.173 -12.484 1.00 40.32 C ATOM 1721 NZ LYS A 103 -3.024 9.636 -13.803 1.00 34.33 N ATOM 0 H LYS A 103 0.612 8.368 -10.468 1.00 60.43 H new ATOM 0 HA LYS A 103 -0.993 6.313 -9.869 1.00 75.11 H new ATOM 0 HB2 LYS A 103 -2.797 8.009 -10.946 1.00 23.52 H new ATOM 0 HB3 LYS A 103 -1.847 8.571 -9.585 1.00 23.52 H new ATOM 0 HG2 LYS A 103 -0.321 9.788 -11.035 1.00 20.22 H new ATOM 0 HG3 LYS A 103 -0.983 9.035 -12.472 1.00 20.22 H new ATOM 0 HD2 LYS A 103 -2.577 10.874 -10.644 1.00 61.54 H new ATOM 0 HD3 LYS A 103 -1.729 11.421 -12.077 1.00 61.54 H new ATOM 0 HE2 LYS A 103 -4.017 9.426 -11.956 1.00 40.32 H new ATOM 0 HE3 LYS A 103 -4.064 11.044 -12.629 1.00 40.32 H new ATOM 0 HZ1 LYS A 103 -3.848 9.623 -14.437 1.00 34.33 H new ATOM 0 HZ2 LYS A 103 -2.282 10.238 -14.212 1.00 34.33 H new ATOM 0 HZ3 LYS A 103 -2.661 8.668 -13.688 1.00 34.33 H new ATOM 1735 N ASP A 104 -2.081 5.119 -11.692 1.00 32.43 N ATOM 1736 CA ASP A 104 -2.671 4.283 -12.729 1.00 21.42 C ATOM 1737 C ASP A 104 -4.077 4.791 -13.045 1.00 25.20 C ATOM 1738 O ASP A 104 -4.657 5.580 -12.299 1.00 34.44 O ATOM 1739 CB ASP A 104 -2.712 2.813 -12.283 1.00 63.54 C ATOM 1740 CG ASP A 104 -1.540 2.062 -12.896 1.00 14.14 C ATOM 1741 OD1 ASP A 104 -0.402 2.300 -12.452 1.00 21.22 O ATOM 1742 OD2 ASP A 104 -1.748 1.237 -13.815 1.00 32.10 O ATOM 0 H ASP A 104 -2.243 4.769 -10.748 1.00 32.43 H new ATOM 0 HA ASP A 104 -2.058 4.340 -13.629 1.00 21.42 H new ATOM 0 HB2 ASP A 104 -2.668 2.751 -11.196 1.00 63.54 H new ATOM 0 HB3 ASP A 104 -3.652 2.355 -12.591 1.00 63.54 H new ATOM 1747 N GLU A 105 -4.653 4.262 -14.119 1.00 11.00 N ATOM 1748 CA GLU A 105 -5.976 4.532 -14.673 1.00 74.24 C ATOM 1749 C GLU A 105 -7.134 4.293 -13.702 1.00 3.32 C ATOM 1750 O GLU A 105 -8.230 4.815 -13.903 1.00 51.24 O ATOM 1751 CB GLU A 105 -6.156 3.669 -15.933 1.00 43.45 C ATOM 1752 CG GLU A 105 -5.915 2.163 -15.698 1.00 50.35 C ATOM 1753 CD GLU A 105 -5.853 1.378 -17.008 1.00 25.23 C ATOM 1754 OE1 GLU A 105 -6.643 1.671 -17.932 1.00 43.03 O ATOM 1755 OE2 GLU A 105 -4.961 0.511 -17.144 1.00 53.01 O ATOM 0 H GLU A 105 -4.158 3.567 -14.677 1.00 11.00 H new ATOM 0 HA GLU A 105 -6.014 5.597 -14.903 1.00 74.24 H new ATOM 0 HB2 GLU A 105 -7.166 3.810 -16.317 1.00 43.45 H new ATOM 0 HB3 GLU A 105 -5.470 4.021 -16.704 1.00 43.45 H new ATOM 0 HG2 GLU A 105 -4.983 2.027 -15.150 1.00 50.35 H new ATOM 0 HG3 GLU A 105 -6.713 1.762 -15.073 1.00 50.35 H new ATOM 1762 N ASP A 106 -6.909 3.488 -12.673 1.00 32.34 N ATOM 1763 CA ASP A 106 -7.874 3.156 -11.626 1.00 64.21 C ATOM 1764 C ASP A 106 -7.833 4.243 -10.539 1.00 12.20 C ATOM 1765 O ASP A 106 -8.828 4.558 -9.880 1.00 22.32 O ATOM 1766 CB ASP A 106 -7.437 1.800 -11.072 1.00 32.40 C ATOM 1767 CG ASP A 106 -8.291 1.248 -9.940 1.00 12.14 C ATOM 1768 OD1 ASP A 106 -8.273 1.833 -8.837 1.00 4.00 O ATOM 1769 OD2 ASP A 106 -8.823 0.136 -10.148 1.00 41.42 O ATOM 0 H ASP A 106 -6.010 3.026 -12.536 1.00 32.34 H new ATOM 0 HA ASP A 106 -8.897 3.107 -11.998 1.00 64.21 H new ATOM 0 HB2 ASP A 106 -7.435 1.077 -11.888 1.00 32.40 H new ATOM 0 HB3 ASP A 106 -6.409 1.885 -10.720 1.00 32.40 H new ATOM 1774 N GLY A 107 -6.670 4.878 -10.386 1.00 12.32 N ATOM 1775 CA GLY A 107 -6.376 5.926 -9.426 1.00 35.10 C ATOM 1776 C GLY A 107 -5.632 5.377 -8.207 1.00 21.52 C ATOM 1777 O GLY A 107 -4.986 6.172 -7.526 1.00 43.31 O ATOM 0 H GLY A 107 -5.863 4.655 -10.968 1.00 12.32 H new ATOM 0 HA2 GLY A 107 -5.774 6.699 -9.903 1.00 35.10 H new ATOM 0 HA3 GLY A 107 -7.305 6.398 -9.105 1.00 35.10 H new ATOM 1781 N PHE A 108 -5.704 4.073 -7.899 1.00 4.41 N ATOM 1782 CA PHE A 108 -4.984 3.471 -6.768 1.00 3.01 C ATOM 1783 C PHE A 108 -3.488 3.530 -7.118 1.00 75.33 C ATOM 1784 O PHE A 108 -3.149 3.327 -8.288 1.00 25.54 O ATOM 1785 CB PHE A 108 -5.395 1.990 -6.603 1.00 61.21 C ATOM 1786 CG PHE A 108 -5.871 1.533 -5.238 1.00 72.33 C ATOM 1787 CD1 PHE A 108 -5.055 1.686 -4.102 1.00 72.44 C ATOM 1788 CD2 PHE A 108 -7.100 0.856 -5.125 1.00 4.33 C ATOM 1789 CE1 PHE A 108 -5.453 1.140 -2.869 1.00 54.44 C ATOM 1790 CE2 PHE A 108 -7.529 0.369 -3.880 1.00 73.31 C ATOM 1791 CZ PHE A 108 -6.683 0.469 -2.763 1.00 53.35 C ATOM 0 H PHE A 108 -6.265 3.406 -8.429 1.00 4.41 H new ATOM 0 HA PHE A 108 -5.210 4.001 -5.843 1.00 3.01 H new ATOM 0 HB2 PHE A 108 -6.188 1.781 -7.321 1.00 61.21 H new ATOM 0 HB3 PHE A 108 -4.541 1.373 -6.883 1.00 61.21 H new ATOM 0 HD1 PHE A 108 -4.121 2.224 -4.177 1.00 72.44 H new ATOM 0 HD2 PHE A 108 -7.716 0.711 -6.000 1.00 4.33 H new ATOM 0 HE1 PHE A 108 -4.814 1.236 -2.004 1.00 54.44 H new ATOM 0 HE2 PHE A 108 -8.506 -0.081 -3.781 1.00 73.31 H new ATOM 0 HZ PHE A 108 -6.978 0.030 -1.822 1.00 53.35 H new ATOM 1801 N LEU A 109 -2.592 3.742 -6.147 1.00 32.34 N ATOM 1802 CA LEU A 109 -1.149 3.797 -6.443 1.00 42.11 C ATOM 1803 C LEU A 109 -0.473 2.457 -6.143 1.00 35.24 C ATOM 1804 O LEU A 109 -0.552 1.995 -5.003 1.00 33.50 O ATOM 1805 CB LEU A 109 -0.537 4.938 -5.630 1.00 3.12 C ATOM 1806 CG LEU A 109 0.988 5.110 -5.748 1.00 54.41 C ATOM 1807 CD1 LEU A 109 1.413 5.479 -7.170 1.00 63.34 C ATOM 1808 CD2 LEU A 109 1.427 6.206 -4.764 1.00 61.14 C ATOM 0 H LEU A 109 -2.831 3.877 -5.165 1.00 32.34 H new ATOM 0 HA LEU A 109 -0.992 3.987 -7.505 1.00 42.11 H new ATOM 0 HB2 LEU A 109 -1.012 5.870 -5.935 1.00 3.12 H new ATOM 0 HB3 LEU A 109 -0.785 4.783 -4.580 1.00 3.12 H new ATOM 0 HG LEU A 109 1.469 4.162 -5.508 1.00 54.41 H new ATOM 0 HD11 LEU A 109 2.497 5.591 -7.208 1.00 63.34 H new ATOM 0 HD12 LEU A 109 1.105 4.692 -7.858 1.00 63.34 H new ATOM 0 HD13 LEU A 109 0.941 6.418 -7.459 1.00 63.34 H new ATOM 0 HD21 LEU A 109 2.506 6.344 -4.831 1.00 61.14 H new ATOM 0 HD22 LEU A 109 0.925 7.141 -5.013 1.00 61.14 H new ATOM 0 HD23 LEU A 109 1.162 5.911 -3.749 1.00 61.14 H new ATOM 1820 N TYR A 110 0.175 1.827 -7.126 1.00 65.34 N ATOM 1821 CA TYR A 110 0.858 0.544 -6.952 1.00 1.23 C ATOM 1822 C TYR A 110 2.279 0.712 -6.399 1.00 74.22 C ATOM 1823 O TYR A 110 3.113 1.412 -6.976 1.00 53.25 O ATOM 1824 CB TYR A 110 0.957 -0.208 -8.286 1.00 72.35 C ATOM 1825 CG TYR A 110 -0.346 -0.686 -8.897 1.00 11.00 C ATOM 1826 CD1 TYR A 110 -1.130 -1.637 -8.223 1.00 14.31 C ATOM 1827 CD2 TYR A 110 -0.737 -0.250 -10.177 1.00 41.44 C ATOM 1828 CE1 TYR A 110 -2.297 -2.133 -8.826 1.00 65.21 C ATOM 1829 CE2 TYR A 110 -1.892 -0.761 -10.793 1.00 21.20 C ATOM 1830 CZ TYR A 110 -2.685 -1.705 -10.112 1.00 33.41 C ATOM 1831 OH TYR A 110 -3.827 -2.194 -10.667 1.00 44.34 O ATOM 0 H TYR A 110 0.241 2.197 -8.074 1.00 65.34 H new ATOM 0 HA TYR A 110 0.261 -0.021 -6.237 1.00 1.23 H new ATOM 0 HB2 TYR A 110 1.453 0.442 -9.007 1.00 72.35 H new ATOM 0 HB3 TYR A 110 1.603 -1.074 -8.141 1.00 72.35 H new ATOM 0 HD1 TYR A 110 -0.836 -1.986 -7.244 1.00 14.31 H new ATOM 0 HD2 TYR A 110 -0.141 0.488 -10.693 1.00 41.44 H new ATOM 0 HE1 TYR A 110 -2.906 -2.852 -8.298 1.00 65.21 H new ATOM 0 HE2 TYR A 110 -2.170 -0.432 -11.783 1.00 21.20 H new ATOM 0 HH TYR A 110 -3.954 -1.800 -11.555 1.00 44.34 H new ATOM 1841 N MET A 111 2.600 -0.001 -5.318 1.00 2.53 N ATOM 1842 CA MET A 111 3.902 0.016 -4.658 1.00 73.20 C ATOM 1843 C MET A 111 4.256 -1.423 -4.268 1.00 44.22 C ATOM 1844 O MET A 111 3.385 -2.232 -3.920 1.00 42.44 O ATOM 1845 CB MET A 111 3.900 0.929 -3.419 1.00 52.21 C ATOM 1846 CG MET A 111 3.237 2.297 -3.617 1.00 20.44 C ATOM 1847 SD MET A 111 3.156 3.313 -2.109 1.00 20.44 S ATOM 1848 CE MET A 111 4.876 3.874 -1.949 1.00 54.52 C ATOM 0 H MET A 111 1.935 -0.628 -4.864 1.00 2.53 H new ATOM 0 HA MET A 111 4.648 0.419 -5.343 1.00 73.20 H new ATOM 0 HB2 MET A 111 3.391 0.411 -2.606 1.00 52.21 H new ATOM 0 HB3 MET A 111 4.931 1.085 -3.101 1.00 52.21 H new ATOM 0 HG2 MET A 111 3.785 2.846 -4.383 1.00 20.44 H new ATOM 0 HG3 MET A 111 2.226 2.147 -3.995 1.00 20.44 H new ATOM 0 HE1 MET A 111 4.929 4.679 -1.216 1.00 54.52 H new ATOM 0 HE2 MET A 111 5.501 3.043 -1.621 1.00 54.52 H new ATOM 0 HE3 MET A 111 5.231 4.237 -2.913 1.00 54.52 H new ATOM 1858 N VAL A 112 5.537 -1.785 -4.346 1.00 73.23 N ATOM 1859 CA VAL A 112 6.025 -3.122 -4.013 1.00 5.11 C ATOM 1860 C VAL A 112 7.324 -2.972 -3.209 1.00 62.02 C ATOM 1861 O VAL A 112 7.966 -1.926 -3.300 1.00 43.44 O ATOM 1862 CB VAL A 112 6.166 -3.987 -5.293 1.00 70.14 C ATOM 1863 CG1 VAL A 112 6.399 -5.466 -4.999 1.00 4.43 C ATOM 1864 CG2 VAL A 112 4.910 -3.954 -6.190 1.00 64.31 C ATOM 0 H VAL A 112 6.275 -1.148 -4.647 1.00 73.23 H new ATOM 0 HA VAL A 112 5.312 -3.659 -3.388 1.00 5.11 H new ATOM 0 HB VAL A 112 7.026 -3.541 -5.793 1.00 70.14 H new ATOM 0 HG11 VAL A 112 6.489 -6.014 -5.937 1.00 4.43 H new ATOM 0 HG12 VAL A 112 7.316 -5.582 -4.422 1.00 4.43 H new ATOM 0 HG13 VAL A 112 5.559 -5.860 -4.428 1.00 4.43 H new ATOM 0 HG21 VAL A 112 5.073 -4.579 -7.068 1.00 64.31 H new ATOM 0 HG22 VAL A 112 4.054 -4.331 -5.631 1.00 64.31 H new ATOM 0 HG23 VAL A 112 4.715 -2.929 -6.505 1.00 64.31 H new ATOM 1874 N TYR A 113 7.708 -3.963 -2.402 1.00 31.15 N ATOM 1875 CA TYR A 113 8.940 -3.908 -1.609 1.00 1.23 C ATOM 1876 C TYR A 113 9.744 -5.202 -1.716 1.00 25.04 C ATOM 1877 O TYR A 113 9.166 -6.265 -1.970 1.00 24.13 O ATOM 1878 CB TYR A 113 8.611 -3.597 -0.143 1.00 44.43 C ATOM 1879 CG TYR A 113 7.896 -4.703 0.613 1.00 25.23 C ATOM 1880 CD1 TYR A 113 6.493 -4.785 0.570 1.00 43.13 C ATOM 1881 CD2 TYR A 113 8.630 -5.646 1.363 1.00 34.12 C ATOM 1882 CE1 TYR A 113 5.823 -5.795 1.278 1.00 72.23 C ATOM 1883 CE2 TYR A 113 7.965 -6.665 2.069 1.00 73.30 C ATOM 1884 CZ TYR A 113 6.555 -6.743 2.026 1.00 3.35 C ATOM 1885 OH TYR A 113 5.885 -7.713 2.700 1.00 74.31 O ATOM 0 H TYR A 113 7.176 -4.825 -2.279 1.00 31.15 H new ATOM 0 HA TYR A 113 9.560 -3.108 -2.013 1.00 1.23 H new ATOM 0 HB2 TYR A 113 9.540 -3.365 0.379 1.00 44.43 H new ATOM 0 HB3 TYR A 113 7.994 -2.699 -0.109 1.00 44.43 H new ATOM 0 HD1 TYR A 113 5.929 -4.069 -0.009 1.00 43.13 H new ATOM 0 HD2 TYR A 113 9.708 -5.585 1.395 1.00 34.12 H new ATOM 0 HE1 TYR A 113 4.745 -5.847 1.251 1.00 72.23 H new ATOM 0 HE2 TYR A 113 8.530 -7.385 2.642 1.00 73.30 H new ATOM 0 HH TYR A 113 6.486 -8.469 2.868 1.00 74.31 H new ATOM 1895 N ALA A 114 11.061 -5.106 -1.490 1.00 54.13 N ATOM 1896 CA ALA A 114 12.009 -6.212 -1.521 1.00 54.11 C ATOM 1897 C ALA A 114 13.286 -5.828 -0.757 1.00 21.12 C ATOM 1898 O ALA A 114 13.459 -4.676 -0.361 1.00 32.44 O ATOM 1899 CB ALA A 114 12.370 -6.530 -2.975 1.00 63.22 C ATOM 0 H ALA A 114 11.507 -4.215 -1.272 1.00 54.13 H new ATOM 0 HA ALA A 114 11.556 -7.085 -1.051 1.00 54.11 H new ATOM 0 HB1 ALA A 114 13.079 -7.357 -3.001 1.00 63.22 H new ATOM 0 HB2 ALA A 114 11.469 -6.807 -3.521 1.00 63.22 H new ATOM 0 HB3 ALA A 114 12.819 -5.652 -3.439 1.00 63.22 H new ATOM 1905 N SER A 115 14.210 -6.769 -0.584 1.00 3.13 N ATOM 1906 CA SER A 115 15.484 -6.593 0.087 1.00 33.22 C ATOM 1907 C SER A 115 16.565 -6.719 -0.987 1.00 71.33 C ATOM 1908 O SER A 115 17.235 -7.750 -1.093 1.00 14.43 O ATOM 1909 CB SER A 115 15.590 -7.632 1.221 1.00 25.14 C ATOM 1910 OG SER A 115 16.722 -7.466 2.057 1.00 22.05 O ATOM 0 H SER A 115 14.079 -7.721 -0.927 1.00 3.13 H new ATOM 0 HA SER A 115 15.598 -5.619 0.563 1.00 33.22 H new ATOM 0 HB2 SER A 115 14.690 -7.579 1.833 1.00 25.14 H new ATOM 0 HB3 SER A 115 15.619 -8.630 0.783 1.00 25.14 H new ATOM 0 HG SER A 115 16.555 -6.739 2.693 1.00 22.05 H new ATOM 1916 N GLN A 116 16.731 -5.651 -1.773 1.00 1.55 N ATOM 1917 CA GLN A 116 17.703 -5.476 -2.851 1.00 21.03 C ATOM 1918 C GLN A 116 17.440 -4.110 -3.486 1.00 30.44 C ATOM 1919 O GLN A 116 16.277 -3.781 -3.723 1.00 53.54 O ATOM 1920 CB GLN A 116 17.607 -6.575 -3.927 1.00 12.54 C ATOM 1921 CG GLN A 116 18.869 -6.587 -4.792 1.00 12.42 C ATOM 1922 CD GLN A 116 18.995 -7.898 -5.551 1.00 1.43 C ATOM 1923 OE1 GLN A 116 19.539 -8.868 -5.031 1.00 65.03 O ATOM 1924 NE2 GLN A 116 18.509 -7.972 -6.776 1.00 11.33 N ATOM 0 H GLN A 116 16.143 -4.825 -1.662 1.00 1.55 H new ATOM 0 HA GLN A 116 18.707 -5.543 -2.431 1.00 21.03 H new ATOM 0 HB2 GLN A 116 17.475 -7.547 -3.452 1.00 12.54 H new ATOM 0 HB3 GLN A 116 16.731 -6.404 -4.553 1.00 12.54 H new ATOM 0 HG2 GLN A 116 18.840 -5.756 -5.497 1.00 12.42 H new ATOM 0 HG3 GLN A 116 19.747 -6.441 -4.163 1.00 12.42 H new ATOM 0 HE21 GLN A 116 18.059 -7.159 -7.196 1.00 11.33 H new ATOM 0 HE22 GLN A 116 18.583 -8.843 -7.302 1.00 11.33 H new ATOM 1933 N GLU A 117 18.488 -3.352 -3.798 1.00 73.34 N ATOM 1934 CA GLU A 117 18.403 -2.024 -4.398 1.00 65.42 C ATOM 1935 C GLU A 117 18.046 -2.065 -5.888 1.00 25.13 C ATOM 1936 O GLU A 117 17.371 -1.162 -6.376 1.00 21.35 O ATOM 1937 CB GLU A 117 19.762 -1.331 -4.217 1.00 61.13 C ATOM 1938 CG GLU A 117 19.727 0.168 -4.552 1.00 23.11 C ATOM 1939 CD GLU A 117 21.127 0.773 -4.461 1.00 2.14 C ATOM 1940 OE1 GLU A 117 21.705 0.822 -3.346 1.00 4.15 O ATOM 1941 OE2 GLU A 117 21.687 1.211 -5.488 1.00 64.13 O ATOM 0 H GLU A 117 19.448 -3.654 -3.635 1.00 73.34 H new ATOM 0 HA GLU A 117 17.603 -1.477 -3.899 1.00 65.42 H new ATOM 0 HB2 GLU A 117 20.093 -1.459 -3.186 1.00 61.13 H new ATOM 0 HB3 GLU A 117 20.500 -1.821 -4.852 1.00 61.13 H new ATOM 0 HG2 GLU A 117 19.327 0.312 -5.556 1.00 23.11 H new ATOM 0 HG3 GLU A 117 19.057 0.684 -3.865 1.00 23.11 H new ATOM 1948 N THR A 118 18.451 -3.100 -6.626 1.00 25.13 N ATOM 1949 CA THR A 118 18.173 -3.191 -8.057 1.00 21.22 C ATOM 1950 C THR A 118 17.447 -4.485 -8.404 1.00 22.21 C ATOM 1951 O THR A 118 17.690 -5.523 -7.783 1.00 41.21 O ATOM 1952 CB THR A 118 19.480 -2.981 -8.844 1.00 71.11 C ATOM 1953 OG1 THR A 118 20.575 -3.754 -8.350 1.00 70.24 O ATOM 1954 CG2 THR A 118 19.907 -1.507 -8.773 1.00 70.13 C ATOM 0 H THR A 118 18.976 -3.891 -6.252 1.00 25.13 H new ATOM 0 HA THR A 118 17.486 -2.397 -8.351 1.00 21.22 H new ATOM 0 HB THR A 118 19.259 -3.299 -9.863 1.00 71.11 H new ATOM 0 HG1 THR A 118 21.372 -3.577 -8.892 1.00 70.24 H new ATOM 0 HG21 THR A 118 20.832 -1.369 -9.333 1.00 70.13 H new ATOM 0 HG22 THR A 118 19.126 -0.881 -9.203 1.00 70.13 H new ATOM 0 HG23 THR A 118 20.067 -1.224 -7.733 1.00 70.13 H new ATOM 1962 N PHE A 119 16.530 -4.406 -9.366 1.00 13.14 N ATOM 1963 CA PHE A 119 15.726 -5.517 -9.851 1.00 65.02 C ATOM 1964 C PHE A 119 16.340 -6.059 -11.125 1.00 11.41 C ATOM 1965 O PHE A 119 16.337 -7.301 -11.271 1.00 4.45 O ATOM 1966 CB PHE A 119 14.284 -5.039 -10.083 1.00 13.35 C ATOM 1967 CG PHE A 119 13.322 -5.198 -8.918 1.00 65.44 C ATOM 1968 CD1 PHE A 119 13.781 -5.352 -7.594 1.00 30.31 C ATOM 1969 CD2 PHE A 119 11.938 -5.198 -9.174 1.00 61.04 C ATOM 1970 CE1 PHE A 119 12.863 -5.541 -6.550 1.00 64.23 C ATOM 1971 CE2 PHE A 119 11.021 -5.356 -8.125 1.00 5.45 C ATOM 1972 CZ PHE A 119 11.484 -5.543 -6.813 1.00 64.33 C ATOM 0 H PHE A 119 16.321 -3.530 -9.845 1.00 13.14 H new ATOM 0 HA PHE A 119 15.704 -6.319 -9.114 1.00 65.02 H new ATOM 0 HB2 PHE A 119 14.314 -3.985 -10.359 1.00 13.35 H new ATOM 0 HB3 PHE A 119 13.878 -5.581 -10.937 1.00 13.35 H new ATOM 0 HD1 PHE A 119 14.840 -5.324 -7.383 1.00 30.31 H new ATOM 0 HD2 PHE A 119 11.580 -5.075 -10.185 1.00 61.04 H new ATOM 0 HE1 PHE A 119 13.218 -5.685 -5.540 1.00 64.23 H new ATOM 0 HE2 PHE A 119 9.960 -5.334 -8.326 1.00 5.45 H new ATOM 0 HZ PHE A 119 10.780 -5.688 -6.007 1.00 64.33 H new TER 1982 PHE A 119 ATOM 1983 N ASN B 169 -17.174 -9.947 -4.291 1.00 12.00 N ATOM 1984 CA ASN B 169 -17.841 -9.263 -5.419 1.00 24.40 C ATOM 1985 C ASN B 169 -19.342 -9.238 -5.170 1.00 21.51 C ATOM 1986 O ASN B 169 -19.796 -8.232 -4.639 1.00 44.02 O ATOM 1987 CB ASN B 169 -17.406 -9.751 -6.808 1.00 73.55 C ATOM 1988 CG ASN B 169 -17.269 -11.263 -6.949 1.00 10.03 C ATOM 1989 OD1 ASN B 169 -18.178 -12.031 -6.651 1.00 12.12 O ATOM 1990 ND2 ASN B 169 -16.106 -11.738 -7.361 1.00 33.20 N ATOM 0 HA ASN B 169 -17.500 -8.228 -5.449 1.00 24.40 H new ATOM 0 HB2 ASN B 169 -18.129 -9.397 -7.543 1.00 73.55 H new ATOM 0 HB3 ASN B 169 -16.449 -9.291 -7.055 1.00 73.55 H new ATOM 0 HD21 ASN B 169 -15.963 -12.745 -7.432 1.00 33.20 H new ATOM 0 HD22 ASN B 169 -15.352 -11.097 -7.608 1.00 33.20 H new HETATM 1997 N SEP B 170 -20.122 -10.275 -5.502 1.00 33.12 N HETATM 1998 CA SEP B 170 -21.564 -10.292 -5.242 1.00 2.43 C HETATM 1999 CB SEP B 170 -22.168 -11.620 -5.688 1.00 63.41 C HETATM 2000 OG SEP B 170 -22.051 -11.778 -7.087 1.00 43.01 O HETATM 2001 C SEP B 170 -21.776 -10.061 -3.741 1.00 30.40 C HETATM 2002 O SEP B 170 -22.460 -9.117 -3.342 1.00 25.30 O HETATM 2003 P SEP B 170 -22.690 -13.057 -7.793 1.00 61.12 P HETATM 2004 O1P SEP B 170 -21.914 -14.189 -7.249 1.00 4.03 O HETATM 2005 O2P SEP B 170 -24.109 -13.011 -7.393 1.00 70.41 O HETATM 2006 O3P SEP B 170 -22.443 -12.763 -9.218 1.00 31.42 O HETATM 0 HB3 SEP B 170 -21.664 -12.443 -5.181 1.00 63.41 H new HETATM 0 HB2 SEP B 170 -23.218 -11.663 -5.399 1.00 63.41 H new HETATM 0 HA SEP B 170 -22.064 -9.505 -5.807 1.00 2.43 H new HETATM 0 H SEP B 170 -19.671 -11.085 -5.926 1.00 33.12 H new HETATM 2011 N SEP B 171 -21.217 -10.938 -2.904 1.00 3.00 N HETATM 2012 CA SEP B 171 -21.312 -10.789 -1.460 1.00 44.34 C HETATM 2013 CB SEP B 171 -21.062 -12.126 -0.774 1.00 71.51 C HETATM 2014 OG SEP B 171 -22.045 -13.081 -1.133 1.00 64.32 O HETATM 2015 C SEP B 171 -20.250 -9.774 -1.021 1.00 21.41 C HETATM 2016 O SEP B 171 -19.322 -9.469 -1.781 1.00 51.31 O HETATM 2017 P SEP B 171 -22.808 -13.919 -0.006 1.00 1.20 P HETATM 2018 O1P SEP B 171 -23.625 -12.896 0.676 1.00 42.21 O HETATM 2019 O2P SEP B 171 -23.556 -14.896 -0.820 1.00 30.33 O HETATM 2020 O3P SEP B 171 -21.693 -14.479 0.782 1.00 14.34 O HETATM 0 HB3 SEP B 171 -20.074 -12.498 -1.046 1.00 71.51 H new HETATM 0 HB2 SEP B 171 -21.064 -11.988 0.307 1.00 71.51 H new HETATM 0 HA SEP B 171 -22.309 -10.445 -1.183 1.00 44.34 H new HETATM 0 H SEP B 171 -21.008 -11.850 -3.310 1.00 3.00 H new ATOM 2025 N GLY B 172 -20.281 -9.372 0.248 1.00 53.15 N ATOM 2026 CA GLY B 172 -19.339 -8.422 0.810 1.00 51.41 C ATOM 2027 C GLY B 172 -19.316 -8.512 2.326 1.00 42.12 C ATOM 2028 O GLY B 172 -19.915 -9.424 2.902 1.00 2.24 O ATOM 0 H GLY B 172 -20.973 -9.705 0.919 1.00 53.15 H new ATOM 0 HA2 GLY B 172 -18.342 -8.616 0.415 1.00 51.41 H new ATOM 0 HA3 GLY B 172 -19.611 -7.411 0.506 1.00 51.41 H new HETATM 2032 N SEP B 173 -18.587 -7.609 2.970 1.00 4.43 N HETATM 2033 CA SEP B 173 -18.475 -7.545 4.417 1.00 32.53 C HETATM 2034 CB SEP B 173 -17.473 -8.597 4.921 1.00 53.21 C HETATM 2035 OG SEP B 173 -18.144 -9.733 5.431 1.00 50.05 O HETATM 2036 C SEP B 173 -18.030 -6.149 4.822 1.00 3.02 C HETATM 2037 O SEP B 173 -17.441 -5.424 4.013 1.00 10.31 O HETATM 2038 P SEP B 173 -18.637 -9.783 6.953 1.00 54.12 P HETATM 2039 O1P SEP B 173 -19.669 -10.834 6.923 1.00 50.12 O HETATM 2040 O2P SEP B 173 -17.399 -10.164 7.656 1.00 45.24 O HETATM 2041 O3P SEP B 173 -19.130 -8.423 7.251 1.00 13.04 O HETATM 0 HB3 SEP B 173 -16.813 -8.895 4.106 1.00 53.21 H new HETATM 0 HB2 SEP B 173 -16.844 -8.162 5.698 1.00 53.21 H new HETATM 0 HA SEP B 173 -19.445 -7.758 4.866 1.00 32.53 H new HETATM 2046 N SEP B 174 -18.079 -5.890 6.125 1.00 50.35 N HETATM 2047 CA SEP B 174 -17.699 -4.631 6.733 1.00 55.14 C HETATM 2048 CB SEP B 174 -18.957 -3.928 7.255 1.00 33.10 C HETATM 2049 OG SEP B 174 -19.174 -2.743 6.513 1.00 75.13 O HETATM 2050 C SEP B 174 -16.651 -4.911 7.805 1.00 44.25 C HETATM 2051 O SEP B 174 -16.957 -5.098 8.983 1.00 54.03 O HETATM 2052 P SEP B 174 -20.380 -1.773 6.887 1.00 60.21 P HETATM 2053 O1P SEP B 174 -20.183 -1.602 8.340 1.00 20.40 O HETATM 2054 O2P SEP B 174 -20.082 -0.579 6.076 1.00 64.52 O HETATM 2055 O3P SEP B 174 -21.565 -2.553 6.483 1.00 55.41 O HETATM 0 HB3 SEP B 174 -19.819 -4.589 7.167 1.00 33.10 H new HETATM 0 HB2 SEP B 174 -18.843 -3.692 8.313 1.00 33.10 H new HETATM 0 HA SEP B 174 -17.244 -3.948 6.016 1.00 55.14 H new ATOM 2060 N GLU B 175 -15.397 -5.040 7.381 1.00 15.23 N ATOM 2061 CA GLU B 175 -14.253 -5.307 8.244 1.00 75.33 C ATOM 2062 C GLU B 175 -13.156 -4.294 7.911 1.00 4.01 C ATOM 2063 O GLU B 175 -13.414 -3.298 7.228 1.00 13.01 O ATOM 2064 CB GLU B 175 -13.783 -6.753 8.066 1.00 45.15 C ATOM 2065 CG GLU B 175 -14.809 -7.809 8.498 1.00 70.45 C ATOM 2066 CD GLU B 175 -14.206 -9.205 8.355 1.00 3.03 C ATOM 2067 OE1 GLU B 175 -13.499 -9.435 7.347 1.00 63.43 O ATOM 2068 OE2 GLU B 175 -14.378 -10.072 9.244 1.00 51.24 O ATOM 0 H GLU B 175 -15.142 -4.959 6.397 1.00 15.23 H new ATOM 0 HA GLU B 175 -14.524 -5.194 9.294 1.00 75.33 H new ATOM 0 HB2 GLU B 175 -13.532 -6.915 7.018 1.00 45.15 H new ATOM 0 HB3 GLU B 175 -12.867 -6.898 8.639 1.00 45.15 H new ATOM 0 HG2 GLU B 175 -15.109 -7.637 9.532 1.00 70.45 H new ATOM 0 HG3 GLU B 175 -15.708 -7.727 7.887 1.00 70.45 H new ATOM 2075 N ASP B 176 -11.953 -4.508 8.437 1.00 23.21 N ATOM 2076 CA ASP B 176 -10.794 -3.650 8.244 1.00 0.01 C ATOM 2077 C ASP B 176 -10.195 -3.904 6.864 1.00 62.25 C ATOM 2078 O ASP B 176 -9.594 -4.962 6.642 1.00 43.25 O ATOM 2079 CB ASP B 176 -9.744 -3.939 9.327 1.00 22.34 C ATOM 2080 CG ASP B 176 -10.287 -3.784 10.743 1.00 12.43 C ATOM 2081 OD1 ASP B 176 -10.980 -2.780 11.038 1.00 63.15 O ATOM 2082 OD2 ASP B 176 -10.078 -4.725 11.537 1.00 12.02 O ATOM 0 H ASP B 176 -11.754 -5.314 9.030 1.00 23.21 H new ATOM 0 HA ASP B 176 -11.103 -2.607 8.318 1.00 0.01 H new ATOM 0 HB2 ASP B 176 -9.367 -4.954 9.198 1.00 22.34 H new ATOM 0 HB3 ASP B 176 -8.898 -3.265 9.193 1.00 22.34 H new HETATM 2087 N SEP B 177 -10.241 -2.925 5.960 1.00 23.51 N HETATM 2088 CA SEP B 177 -9.711 -3.077 4.609 1.00 35.23 C HETATM 2089 CB SEP B 177 -10.673 -2.465 3.567 1.00 14.04 C HETATM 2090 OG SEP B 177 -11.896 -3.154 3.369 1.00 53.12 O HETATM 2091 C SEP B 177 -8.383 -2.335 4.490 1.00 15.20 C HETATM 2092 O SEP B 177 -7.397 -2.945 4.071 1.00 21.22 O HETATM 2093 P SEP B 177 -12.076 -4.279 2.241 1.00 44.22 P HETATM 2094 O1P SEP B 177 -11.521 -3.703 0.988 1.00 31.53 O HETATM 2095 O2P SEP B 177 -11.254 -5.378 2.759 1.00 63.52 O HETATM 2096 O3P SEP B 177 -13.530 -4.528 2.231 1.00 21.21 O HETATM 0 HB3 SEP B 177 -10.900 -1.442 3.868 1.00 14.04 H new HETATM 0 HB2 SEP B 177 -10.152 -2.408 2.611 1.00 14.04 H new HETATM 0 HA SEP B 177 -9.586 -4.143 4.422 1.00 35.23 H new HETATM 0 H SEP B 177 -11.138 -2.462 6.107 1.00 23.51 H new ATOM 2101 N PHE B 178 -8.335 -1.048 4.836 1.00 4.24 N ATOM 2102 CA PHE B 178 -7.133 -0.235 4.719 1.00 0.22 C ATOM 2103 C PHE B 178 -6.446 -0.005 6.055 1.00 21.53 C ATOM 2104 O PHE B 178 -7.089 0.015 7.101 1.00 2.43 O ATOM 2105 CB PHE B 178 -7.503 1.122 4.105 1.00 62.41 C ATOM 2106 CG PHE B 178 -7.933 1.073 2.652 1.00 74.32 C ATOM 2107 CD1 PHE B 178 -9.191 0.546 2.303 1.00 2.20 C ATOM 2108 CD2 PHE B 178 -7.095 1.588 1.645 1.00 74.52 C ATOM 2109 CE1 PHE B 178 -9.584 0.471 0.959 1.00 71.35 C ATOM 2110 CE2 PHE B 178 -7.522 1.592 0.309 1.00 75.34 C ATOM 2111 CZ PHE B 178 -8.757 1.013 -0.038 1.00 11.12 C ATOM 0 H PHE B 178 -9.138 -0.540 5.208 1.00 4.24 H new ATOM 0 HA PHE B 178 -6.434 -0.778 4.083 1.00 0.22 H new ATOM 0 HB2 PHE B 178 -8.309 1.562 4.692 1.00 62.41 H new ATOM 0 HB3 PHE B 178 -6.645 1.789 4.192 1.00 62.41 H new ATOM 0 HD1 PHE B 178 -9.859 0.197 3.077 1.00 2.20 H new ATOM 0 HD2 PHE B 178 -6.122 1.981 1.901 1.00 74.52 H new ATOM 0 HE1 PHE B 178 -10.518 -0.001 0.692 1.00 71.35 H new ATOM 0 HE2 PHE B 178 -6.903 2.040 -0.454 1.00 75.34 H new ATOM 0 HZ PHE B 178 -9.069 0.986 -1.072 1.00 11.12 H new ATOM 2121 N VAL B 179 -5.139 0.246 6.018 1.00 61.23 N ATOM 2122 CA VAL B 179 -4.330 0.514 7.200 1.00 20.33 C ATOM 2123 C VAL B 179 -3.749 1.922 7.080 1.00 54.22 C ATOM 2124 O VAL B 179 -2.903 2.192 6.222 1.00 75.41 O ATOM 2125 CB VAL B 179 -3.350 -0.637 7.484 1.00 32.20 C ATOM 2126 CG1 VAL B 179 -2.677 -1.263 6.265 1.00 44.31 C ATOM 2127 CG2 VAL B 179 -2.304 -0.283 8.548 1.00 31.10 C ATOM 0 H VAL B 179 -4.605 0.269 5.149 1.00 61.23 H new ATOM 0 HA VAL B 179 -4.928 0.528 8.111 1.00 20.33 H new ATOM 0 HB VAL B 179 -4.010 -1.410 7.877 1.00 32.20 H new ATOM 0 HG11 VAL B 179 -2.010 -2.062 6.588 1.00 44.31 H new ATOM 0 HG12 VAL B 179 -3.437 -1.672 5.600 1.00 44.31 H new ATOM 0 HG13 VAL B 179 -2.103 -0.502 5.736 1.00 44.31 H new ATOM 0 HG21 VAL B 179 -1.642 -1.134 8.705 1.00 31.10 H new ATOM 0 HG22 VAL B 179 -1.720 0.574 8.213 1.00 31.10 H new ATOM 0 HG23 VAL B 179 -2.806 -0.037 9.484 1.00 31.10 H new ATOM 2137 N GLU B 180 -4.280 2.856 7.872 1.00 72.11 N ATOM 2138 CA GLU B 180 -3.825 4.238 7.876 1.00 1.24 C ATOM 2139 C GLU B 180 -2.455 4.338 8.563 1.00 34.42 C ATOM 2140 O GLU B 180 -2.118 3.530 9.438 1.00 72.34 O ATOM 2141 CB GLU B 180 -4.836 5.171 8.562 1.00 11.43 C ATOM 2142 CG GLU B 180 -6.205 5.275 7.879 1.00 4.44 C ATOM 2143 CD GLU B 180 -7.104 6.264 8.618 1.00 44.25 C ATOM 2144 OE1 GLU B 180 -6.988 7.483 8.352 1.00 63.23 O ATOM 2145 OE2 GLU B 180 -7.873 5.822 9.497 1.00 35.44 O ATOM 0 H GLU B 180 -5.039 2.670 8.528 1.00 72.11 H new ATOM 0 HA GLU B 180 -3.734 4.561 6.839 1.00 1.24 H new ATOM 0 HB2 GLU B 180 -4.985 4.827 9.586 1.00 11.43 H new ATOM 0 HB3 GLU B 180 -4.402 6.169 8.621 1.00 11.43 H new ATOM 0 HG2 GLU B 180 -6.077 5.595 6.845 1.00 4.44 H new ATOM 0 HG3 GLU B 180 -6.679 4.294 7.853 1.00 4.44 H new ATOM 2152 N ILE B 181 -1.663 5.344 8.186 1.00 23.30 N ATOM 2153 CA ILE B 181 -0.331 5.582 8.750 1.00 64.43 C ATOM 2154 C ILE B 181 -0.464 6.412 10.029 1.00 12.01 C ATOM 2155 O ILE B 181 -0.631 7.630 9.967 1.00 40.05 O ATOM 2156 CB ILE B 181 0.607 6.243 7.721 1.00 2.22 C ATOM 2157 CG1 ILE B 181 0.632 5.463 6.398 1.00 20.31 C ATOM 2158 CG2 ILE B 181 2.045 6.416 8.238 1.00 22.43 C ATOM 2159 CD1 ILE B 181 0.920 3.970 6.516 1.00 63.02 C ATOM 0 H ILE B 181 -1.930 6.023 7.474 1.00 23.30 H new ATOM 0 HA ILE B 181 0.126 4.626 9.006 1.00 64.43 H new ATOM 0 HB ILE B 181 0.194 7.237 7.549 1.00 2.22 H new ATOM 0 HG12 ILE B 181 -0.331 5.591 5.904 1.00 20.31 H new ATOM 0 HG13 ILE B 181 1.385 5.909 5.748 1.00 20.31 H new ATOM 0 HG21 ILE B 181 2.655 6.887 7.467 1.00 22.43 H new ATOM 0 HG22 ILE B 181 2.038 7.044 9.129 1.00 22.43 H new ATOM 0 HG23 ILE B 181 2.463 5.440 8.485 1.00 22.43 H new ATOM 0 HD11 ILE B 181 0.914 3.519 5.524 1.00 63.02 H new ATOM 0 HD12 ILE B 181 1.897 3.823 6.975 1.00 63.02 H new ATOM 0 HD13 ILE B 181 0.155 3.499 7.133 1.00 63.02 H new ATOM 2171 N ARG B 182 -0.436 5.741 11.181 1.00 35.22 N ATOM 2172 CA ARG B 182 -0.523 6.343 12.515 1.00 71.21 C ATOM 2173 C ARG B 182 0.647 7.313 12.751 1.00 32.42 C ATOM 2174 O ARG B 182 1.620 7.307 11.997 1.00 74.22 O ATOM 2175 CB ARG B 182 -0.477 5.211 13.556 1.00 62.32 C ATOM 2176 CG ARG B 182 -1.835 4.556 13.855 1.00 42.34 C ATOM 2177 CD ARG B 182 -2.332 3.588 12.783 1.00 32.13 C ATOM 2178 NE ARG B 182 -3.522 2.859 13.252 1.00 33.11 N ATOM 2179 CZ ARG B 182 -4.801 3.165 13.000 1.00 43.03 C ATOM 2180 NH1 ARG B 182 -5.135 4.258 12.325 1.00 61.13 N ATOM 2181 NH2 ARG B 182 -5.748 2.348 13.439 1.00 51.21 N ATOM 0 H ARG B 182 -0.349 4.725 11.213 1.00 35.22 H new ATOM 0 HA ARG B 182 -1.452 6.907 12.602 1.00 71.21 H new ATOM 0 HB2 ARG B 182 0.212 4.442 13.206 1.00 62.32 H new ATOM 0 HB3 ARG B 182 -0.068 5.607 14.485 1.00 62.32 H new ATOM 0 HG2 ARG B 182 -1.763 4.021 14.802 1.00 42.34 H new ATOM 0 HG3 ARG B 182 -2.579 5.341 13.988 1.00 42.34 H new ATOM 0 HD2 ARG B 182 -2.571 4.137 11.873 1.00 32.13 H new ATOM 0 HD3 ARG B 182 -1.542 2.881 12.530 1.00 32.13 H new ATOM 0 HE ARG B 182 -3.355 2.035 13.829 1.00 33.11 H new ATOM 0 HH11 ARG B 182 -4.409 4.889 11.984 1.00 61.13 H new ATOM 0 HH12 ARG B 182 -6.117 4.467 12.147 1.00 61.13 H new ATOM 0 HH21 ARG B 182 -5.496 1.506 13.957 1.00 51.21 H new ATOM 0 HH22 ARG B 182 -6.729 2.561 13.259 1.00 51.21 H new ATOM 2195 N MET B 183 0.607 8.126 13.808 1.00 3.42 N ATOM 2196 CA MET B 183 1.666 9.086 14.142 1.00 4.23 C ATOM 2197 C MET B 183 1.446 9.641 15.551 1.00 62.45 C ATOM 2198 O MET B 183 0.353 9.511 16.108 1.00 63.23 O ATOM 2199 CB MET B 183 1.699 10.251 13.136 1.00 42.14 C ATOM 2200 CG MET B 183 0.293 10.743 12.796 1.00 44.45 C ATOM 2201 SD MET B 183 0.242 12.421 12.129 1.00 35.24 S ATOM 2202 CE MET B 183 -1.536 12.733 12.263 1.00 3.21 C ATOM 0 H MET B 183 -0.172 8.138 14.467 1.00 3.42 H new ATOM 0 HA MET B 183 2.620 8.560 14.097 1.00 4.23 H new ATOM 0 HB2 MET B 183 2.282 11.073 13.550 1.00 42.14 H new ATOM 0 HB3 MET B 183 2.203 9.931 12.224 1.00 42.14 H new ATOM 0 HG2 MET B 183 -0.154 10.062 12.072 1.00 44.45 H new ATOM 0 HG3 MET B 183 -0.322 10.702 13.695 1.00 44.45 H new ATOM 0 HE1 MET B 183 -1.846 13.418 11.474 1.00 3.21 H new ATOM 0 HE2 MET B 183 -2.079 11.793 12.161 1.00 3.21 H new ATOM 0 HE3 MET B 183 -1.756 13.176 13.235 1.00 3.21 H new ATOM 2212 N ALA B 184 2.479 10.266 16.120 1.00 64.03 N ATOM 2213 CA ALA B 184 2.487 10.874 17.444 1.00 34.10 C ATOM 2214 C ALA B 184 1.828 12.261 17.400 1.00 31.31 C ATOM 2215 O ALA B 184 2.466 13.283 17.655 1.00 54.21 O ATOM 2216 CB ALA B 184 3.927 10.909 17.974 1.00 51.31 C ATOM 0 H ALA B 184 3.375 10.364 15.643 1.00 64.03 H new ATOM 0 HA ALA B 184 1.896 10.277 18.139 1.00 34.10 H new ATOM 0 HB1 ALA B 184 3.939 11.363 18.965 1.00 51.31 H new ATOM 0 HB2 ALA B 184 4.317 9.893 18.036 1.00 51.31 H new ATOM 0 HB3 ALA B 184 4.549 11.496 17.298 1.00 51.31 H new ATOM 2222 N GLU B 185 0.548 12.286 17.039 1.00 0.54 N ATOM 2223 CA GLU B 185 -0.276 13.482 16.934 1.00 40.22 C ATOM 2224 C GLU B 185 -0.344 14.211 18.264 1.00 43.43 C ATOM 2225 O GLU B 185 -0.690 13.563 19.270 1.00 34.14 O ATOM 2226 CB GLU B 185 -1.672 13.056 16.473 1.00 1.21 C ATOM 2227 CG GLU B 185 -2.634 14.240 16.341 1.00 74.44 C ATOM 2228 CD GLU B 185 -3.924 13.777 15.676 1.00 35.41 C ATOM 2229 OE1 GLU B 185 -3.943 13.673 14.431 1.00 64.43 O ATOM 2230 OE2 GLU B 185 -4.925 13.474 16.359 1.00 62.55 O ATOM 0 H GLU B 185 0.037 11.436 16.802 1.00 0.54 H new ATOM 0 HA GLU B 185 0.160 14.173 16.212 1.00 40.22 H new ATOM 0 HB2 GLU B 185 -1.594 12.547 15.512 1.00 1.21 H new ATOM 0 HB3 GLU B 185 -2.081 12.337 17.183 1.00 1.21 H new ATOM 0 HG2 GLU B 185 -2.849 14.658 17.324 1.00 74.44 H new ATOM 0 HG3 GLU B 185 -2.173 15.033 15.752 1.00 74.44 H new TER 2237 GLU B 185