USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 LYS NZ :NH3+ 178:sc= 0.0412 (180deg=0) USER MOD Set 1.2: A 79 ASN :FLIP amide:sc= -0.391 F(o=-1.6,f=-0.35) USER MOD Set 2.1: A 9 HIS :FLIP no HE2:sc= -2.6 F(o=-5.7!,f=-2.3) USER MOD Set 2.2: A 65 TYR OH : rot 117:sc= 0.348 USER MOD Set 3.1: A 37 GLN :FLIP amide:sc= -0.263 F(o=-3.5,f=-1.5) USER MOD Set 3.2: A 69 GLN : amide:sc= -1.23 K(o=-1.5,f=-2.9!) USER MOD Single : A 6 TYR OH : rot 30:sc= -1.1 USER MOD Single : A 10 THR OG1 : rot -150:sc= -0.932 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -119:sc= -1.76 (180deg=-3.34!) USER MOD Single : A 21 ASN : amide:sc= -0.269 K(o=-0.27,f=-1.5) USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= -0.0247 (180deg=-0.206) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.034) USER MOD Single : A 70 MET CE :methyl 142:sc= -0.0223 (180deg=-0.554) USER MOD Single : A 88 THR OG1 : rot 39:sc= -0.997 USER MOD Single : A 105 SER OG : rot 110:sc= 0.00922 USER MOD Single : A 111 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.56) USER MOD Single : A 116 SER OG : rot 79:sc= -1.02 USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 0.414 8.308 -9.259 1.00 0.00 N ATOM 15 CA ILE A 3 0.566 7.719 -7.934 1.00 0.00 C ATOM 16 C ILE A 3 1.020 6.263 -8.037 1.00 0.00 C ATOM 17 O ILE A 3 0.917 5.650 -9.101 1.00 0.00 O ATOM 18 CB ILE A 3 -0.749 7.815 -7.122 1.00 0.00 C ATOM 19 CG1 ILE A 3 -1.732 6.710 -7.519 1.00 0.00 C ATOM 20 CG2 ILE A 3 -1.390 9.180 -7.321 1.00 0.00 C ATOM 21 CD1 ILE A 3 -2.131 6.751 -8.978 1.00 0.00 C ATOM 0 HA ILE A 3 1.332 8.287 -7.407 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.502 7.684 -6.068 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.284 5.741 -7.300 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.628 6.793 -6.903 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.314 9.236 -6.745 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.704 9.957 -6.983 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.612 9.327 -8.378 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.828 5.940 -9.187 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.608 7.706 -9.198 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.244 6.637 -9.601 1.00 0.00 H new ATOM 33 N GLU A 4 1.533 5.715 -6.939 1.00 0.00 N ATOM 34 CA GLU A 4 2.009 4.336 -6.934 1.00 0.00 C ATOM 35 C GLU A 4 1.649 3.616 -5.637 1.00 0.00 C ATOM 36 O GLU A 4 1.304 4.243 -4.632 1.00 0.00 O ATOM 37 CB GLU A 4 3.525 4.303 -7.148 1.00 0.00 C ATOM 38 CG GLU A 4 3.939 3.710 -8.484 1.00 0.00 C ATOM 39 CD GLU A 4 5.390 3.987 -8.821 1.00 0.00 C ATOM 40 OE1 GLU A 4 6.214 4.057 -7.886 1.00 0.00 O ATOM 41 OE2 GLU A 4 5.705 4.134 -10.022 1.00 0.00 O ATOM 0 H GLU A 4 1.629 6.201 -6.047 1.00 0.00 H new ATOM 0 HA GLU A 4 1.514 3.813 -7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.916 5.318 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.984 3.725 -6.346 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.774 2.633 -8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.303 4.117 -9.270 1.00 0.00 H new ATOM 48 N TRP A 5 1.740 2.287 -5.672 1.00 0.00 N ATOM 49 CA TRP A 5 1.434 1.458 -4.512 1.00 0.00 C ATOM 50 C TRP A 5 2.674 1.258 -3.646 1.00 0.00 C ATOM 51 O TRP A 5 3.490 0.376 -3.911 1.00 0.00 O ATOM 52 CB TRP A 5 0.899 0.095 -4.958 1.00 0.00 C ATOM 53 CG TRP A 5 -0.530 0.120 -5.407 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.993 0.384 -6.664 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.687 -0.138 -4.603 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.362 0.303 -6.691 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.812 -0.014 -5.436 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.880 -0.460 -3.256 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -4.110 -0.204 -4.971 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -3.168 -0.649 -2.794 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.269 -0.522 -3.649 1.00 0.00 C ATOM 0 H TRP A 5 2.025 1.761 -6.498 1.00 0.00 H new ATOM 0 HA TRP A 5 0.672 1.971 -3.924 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.519 -0.278 -5.773 1.00 0.00 H new ATOM 0 HB3 TRP A 5 0.998 -0.611 -4.133 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.371 0.622 -7.514 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.949 0.454 -7.511 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -1.037 -0.559 -2.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.961 -0.104 -5.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.328 -0.899 -1.756 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.264 -0.678 -3.258 1.00 0.00 H new ATOM 72 N TYR A 6 2.808 2.077 -2.609 1.00 0.00 N ATOM 73 CA TYR A 6 3.948 1.979 -1.705 1.00 0.00 C ATOM 74 C TYR A 6 3.746 0.849 -0.704 1.00 0.00 C ATOM 75 O TYR A 6 2.740 0.810 0.006 1.00 0.00 O ATOM 76 CB TYR A 6 4.156 3.303 -0.968 1.00 0.00 C ATOM 77 CG TYR A 6 5.047 4.274 -1.708 1.00 0.00 C ATOM 78 CD1 TYR A 6 4.794 4.605 -3.033 1.00 0.00 C ATOM 79 CD2 TYR A 6 6.143 4.856 -1.083 1.00 0.00 C ATOM 80 CE1 TYR A 6 5.607 5.491 -3.715 1.00 0.00 C ATOM 81 CE2 TYR A 6 6.959 5.744 -1.759 1.00 0.00 C ATOM 82 CZ TYR A 6 6.687 6.058 -3.074 1.00 0.00 C ATOM 83 OH TYR A 6 7.497 6.941 -3.749 1.00 0.00 O ATOM 0 H TYR A 6 2.144 2.814 -2.374 1.00 0.00 H new ATOM 0 HA TYR A 6 4.837 1.761 -2.298 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.186 3.770 -0.797 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.589 3.100 0.012 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.948 4.163 -3.539 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.361 4.611 -0.054 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.397 5.738 -4.745 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.806 6.190 -1.259 1.00 0.00 H new ATOM 0 HH TYR A 6 6.971 7.416 -4.426 1.00 0.00 H new ATOM 93 N ALA A 7 4.701 -0.073 -0.654 1.00 0.00 N ATOM 94 CA ALA A 7 4.616 -1.208 0.257 1.00 0.00 C ATOM 95 C ALA A 7 5.708 -1.155 1.321 1.00 0.00 C ATOM 96 O ALA A 7 6.875 -0.902 1.018 1.00 0.00 O ATOM 97 CB ALA A 7 4.701 -2.513 -0.519 1.00 0.00 C ATOM 0 H ALA A 7 5.541 -0.057 -1.232 1.00 0.00 H new ATOM 0 HA ALA A 7 3.653 -1.156 0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.636 -3.353 0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.879 -2.566 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.649 -2.557 -1.055 1.00 0.00 H new ATOM 103 N VAL A 8 5.318 -1.403 2.568 1.00 0.00 N ATOM 104 CA VAL A 8 6.257 -1.395 3.682 1.00 0.00 C ATOM 105 C VAL A 8 6.166 -2.703 4.467 1.00 0.00 C ATOM 106 O VAL A 8 5.565 -3.674 4.004 1.00 0.00 O ATOM 107 CB VAL A 8 6.010 -0.187 4.621 1.00 0.00 C ATOM 108 CG1 VAL A 8 4.994 -0.515 5.709 1.00 0.00 C ATOM 109 CG2 VAL A 8 7.319 0.305 5.226 1.00 0.00 C ATOM 0 H VAL A 8 4.355 -1.612 2.831 1.00 0.00 H new ATOM 0 HA VAL A 8 7.261 -1.300 3.269 1.00 0.00 H new ATOM 0 HB VAL A 8 5.589 0.617 4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.849 0.357 6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.045 -0.791 5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.361 -1.347 6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.121 1.153 5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.779 -0.499 5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.995 0.613 4.429 1.00 0.00 H new ATOM 119 N HIS A 9 6.764 -2.724 5.649 1.00 0.00 N ATOM 120 CA HIS A 9 6.748 -3.916 6.490 1.00 0.00 C ATOM 121 C HIS A 9 6.381 -3.571 7.929 1.00 0.00 C ATOM 122 O HIS A 9 6.487 -2.419 8.350 1.00 0.00 O ATOM 123 CB HIS A 9 8.111 -4.610 6.454 1.00 0.00 C ATOM 124 CG HIS A 9 8.610 -4.880 5.069 1.00 0.00 C ATOM 125 ND1 HIS A 9 8.793 -4.052 4.013 1.00 0.00 N flip ATOM 126 CD2 HIS A 9 8.992 -6.135 4.639 1.00 0.00 C flip ATOM 127 CE1 HIS A 9 9.277 -4.813 2.978 1.00 0.00 C flip ATOM 128 NE2 HIS A 9 9.388 -6.065 3.381 1.00 0.00 N flip ATOM 0 H HIS A 9 7.266 -1.931 6.049 1.00 0.00 H new ATOM 0 HA HIS A 9 5.990 -4.592 6.096 1.00 0.00 H new ATOM 0 HB2 HIS A 9 8.838 -3.991 6.979 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.044 -5.553 6.997 1.00 0.00 H new ATOM 0 HD1 HIS A 9 8.606 -3.050 3.991 1.00 0.00 H new ATOM 0 HD2 HIS A 9 8.970 -7.034 5.238 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.527 -4.447 1.993 1.00 0.00 H new ATOM 137 N THR A 10 5.951 -4.581 8.680 1.00 0.00 N ATOM 138 CA THR A 10 5.569 -4.391 10.075 1.00 0.00 C ATOM 139 C THR A 10 5.680 -5.700 10.849 1.00 0.00 C ATOM 140 O THR A 10 5.959 -6.751 10.273 1.00 0.00 O ATOM 141 CB THR A 10 4.141 -3.851 10.165 1.00 0.00 C ATOM 142 OG1 THR A 10 3.211 -4.808 9.688 1.00 0.00 O ATOM 143 CG2 THR A 10 3.931 -2.575 9.380 1.00 0.00 C ATOM 0 H THR A 10 5.858 -5.540 8.345 1.00 0.00 H new ATOM 0 HA THR A 10 6.252 -3.667 10.519 1.00 0.00 H new ATOM 0 HB THR A 10 3.981 -3.637 11.222 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.435 -4.348 9.306 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.897 -2.248 9.488 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.598 -1.801 9.759 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.147 -2.756 8.327 1.00 0.00 H new ATOM 151 N LEU A 11 5.461 -5.630 12.159 1.00 0.00 N ATOM 152 CA LEU A 11 5.538 -6.810 13.010 1.00 0.00 C ATOM 153 C LEU A 11 4.408 -7.785 12.691 1.00 0.00 C ATOM 154 O LEU A 11 3.269 -7.377 12.463 1.00 0.00 O ATOM 155 CB LEU A 11 5.481 -6.408 14.485 1.00 0.00 C ATOM 156 CG LEU A 11 6.390 -7.219 15.412 1.00 0.00 C ATOM 157 CD1 LEU A 11 7.309 -6.300 16.203 1.00 0.00 C ATOM 158 CD2 LEU A 11 5.561 -8.083 16.351 1.00 0.00 C ATOM 0 H LEU A 11 5.229 -4.768 12.653 1.00 0.00 H new ATOM 0 HA LEU A 11 6.488 -7.307 12.814 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.748 -5.355 14.570 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.453 -6.505 14.833 1.00 0.00 H new ATOM 0 HG LEU A 11 7.008 -7.874 14.798 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.946 -6.897 16.855 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.930 -5.726 15.515 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.710 -5.618 16.806 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.224 -8.652 17.002 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.916 -7.447 16.957 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.948 -8.770 15.767 1.00 0.00 H new ATOM 170 N VAL A 12 4.731 -9.074 12.674 1.00 0.00 N ATOM 171 CA VAL A 12 3.745 -10.105 12.382 1.00 0.00 C ATOM 172 C VAL A 12 2.674 -10.164 13.466 1.00 0.00 C ATOM 173 O VAL A 12 2.980 -10.304 14.650 1.00 0.00 O ATOM 174 CB VAL A 12 4.403 -11.493 12.250 1.00 0.00 C ATOM 175 CG1 VAL A 12 3.384 -12.527 11.795 1.00 0.00 C ATOM 176 CG2 VAL A 12 5.580 -11.438 11.288 1.00 0.00 C ATOM 0 H VAL A 12 5.669 -9.429 12.859 1.00 0.00 H new ATOM 0 HA VAL A 12 3.283 -9.839 11.431 1.00 0.00 H new ATOM 0 HB VAL A 12 4.777 -11.790 13.230 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.867 -13.500 11.708 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.576 -12.587 12.524 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.977 -12.236 10.827 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.031 -12.427 11.208 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.233 -11.117 10.306 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.321 -10.730 11.660 1.00 0.00 H new ATOM 186 N GLY A 13 1.413 -10.056 13.053 1.00 0.00 N ATOM 187 CA GLY A 13 0.315 -10.100 14.001 1.00 0.00 C ATOM 188 C GLY A 13 -0.152 -8.719 14.414 1.00 0.00 C ATOM 189 O GLY A 13 -1.319 -8.528 14.758 1.00 0.00 O ATOM 0 H GLY A 13 1.134 -9.939 12.079 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.520 -10.645 13.560 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.626 -10.655 14.886 1.00 0.00 H new ATOM 193 N GLN A 14 0.760 -7.753 14.382 1.00 0.00 N ATOM 194 CA GLN A 14 0.437 -6.381 14.758 1.00 0.00 C ATOM 195 C GLN A 14 0.033 -5.554 13.536 1.00 0.00 C ATOM 196 O GLN A 14 -0.555 -4.481 13.673 1.00 0.00 O ATOM 197 CB GLN A 14 1.631 -5.729 15.459 1.00 0.00 C ATOM 198 CG GLN A 14 1.513 -5.718 16.974 1.00 0.00 C ATOM 199 CD GLN A 14 2.476 -4.745 17.627 1.00 0.00 C ATOM 200 OE1 GLN A 14 3.629 -5.078 17.892 1.00 0.00 O ATOM 201 NE2 GLN A 14 2.002 -3.531 17.888 1.00 0.00 N ATOM 0 H GLN A 14 1.730 -7.895 14.099 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.409 -6.411 15.445 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.541 -6.259 15.177 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.736 -4.704 15.103 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.492 -5.456 17.253 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.701 -6.721 17.357 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.038 -3.298 17.651 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.603 -2.832 18.326 1.00 0.00 H new ATOM 210 N GLU A 15 0.353 -6.055 12.345 1.00 0.00 N ATOM 211 CA GLU A 15 0.021 -5.355 11.107 1.00 0.00 C ATOM 212 C GLU A 15 -1.456 -4.977 11.066 1.00 0.00 C ATOM 213 O GLU A 15 -1.822 -3.920 10.553 1.00 0.00 O ATOM 214 CB GLU A 15 0.371 -6.225 9.897 1.00 0.00 C ATOM 215 CG GLU A 15 -0.065 -7.674 10.043 1.00 0.00 C ATOM 216 CD GLU A 15 -0.284 -8.355 8.705 1.00 0.00 C ATOM 217 OE1 GLU A 15 0.610 -8.261 7.837 1.00 0.00 O ATOM 218 OE2 GLU A 15 -1.349 -8.982 8.526 1.00 0.00 O ATOM 0 H GLU A 15 0.841 -6.941 12.211 1.00 0.00 H new ATOM 0 HA GLU A 15 0.609 -4.438 11.072 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.096 -5.801 9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.449 -6.193 9.736 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.691 -8.222 10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.987 -7.715 10.623 1.00 0.00 H new ATOM 225 N GLU A 16 -2.301 -5.848 11.611 1.00 0.00 N ATOM 226 CA GLU A 16 -3.738 -5.601 11.637 1.00 0.00 C ATOM 227 C GLU A 16 -4.056 -4.317 12.396 1.00 0.00 C ATOM 228 O GLU A 16 -5.032 -3.631 12.095 1.00 0.00 O ATOM 229 CB GLU A 16 -4.468 -6.783 12.280 1.00 0.00 C ATOM 230 CG GLU A 16 -5.841 -7.048 11.683 1.00 0.00 C ATOM 231 CD GLU A 16 -6.877 -6.038 12.137 1.00 0.00 C ATOM 232 OE1 GLU A 16 -7.328 -6.129 13.298 1.00 0.00 O ATOM 233 OE2 GLU A 16 -7.239 -5.156 11.328 1.00 0.00 O ATOM 0 H GLU A 16 -2.016 -6.729 12.039 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.081 -5.487 10.609 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.856 -7.679 12.174 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.576 -6.595 13.348 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.771 -7.028 10.595 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.168 -8.050 11.963 1.00 0.00 H new ATOM 240 N LYS A 17 -3.223 -3.999 13.383 1.00 0.00 N ATOM 241 CA LYS A 17 -3.414 -2.796 14.184 1.00 0.00 C ATOM 242 C LYS A 17 -2.701 -1.604 13.556 1.00 0.00 C ATOM 243 O LYS A 17 -3.121 -0.459 13.721 1.00 0.00 O ATOM 244 CB LYS A 17 -2.899 -3.022 15.608 1.00 0.00 C ATOM 245 CG LYS A 17 -3.697 -2.278 16.668 1.00 0.00 C ATOM 246 CD LYS A 17 -2.798 -1.756 17.778 1.00 0.00 C ATOM 247 CE LYS A 17 -3.581 -1.503 19.056 1.00 0.00 C ATOM 248 NZ LYS A 17 -2.833 -1.947 20.264 1.00 0.00 N ATOM 0 H LYS A 17 -2.411 -4.557 13.646 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.481 -2.578 14.220 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.923 -4.089 15.829 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.857 -2.708 15.663 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.229 -1.445 16.207 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.451 -2.942 17.091 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.004 -2.476 17.973 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.318 -0.832 17.455 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.806 -0.440 19.139 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.535 -2.028 19.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.402 -1.757 21.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.640 -2.967 20.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.934 -1.428 20.326 1.00 0.00 H new ATOM 262 N ALA A 18 -1.618 -1.880 12.837 1.00 0.00 N ATOM 263 CA ALA A 18 -0.846 -0.830 12.184 1.00 0.00 C ATOM 264 C ALA A 18 -1.704 -0.056 11.189 1.00 0.00 C ATOM 265 O ALA A 18 -1.485 1.134 10.959 1.00 0.00 O ATOM 266 CB ALA A 18 0.368 -1.425 11.484 1.00 0.00 C ATOM 0 H ALA A 18 -1.255 -2.822 12.692 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.506 -0.134 12.950 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.935 -0.630 11.001 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.000 -1.928 12.216 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.039 -2.144 10.733 1.00 0.00 H new ATOM 272 N LYS A 19 -2.683 -0.738 10.603 1.00 0.00 N ATOM 273 CA LYS A 19 -3.576 -0.114 9.633 1.00 0.00 C ATOM 274 C LYS A 19 -4.343 1.044 10.265 1.00 0.00 C ATOM 275 O LYS A 19 -4.334 2.162 9.751 1.00 0.00 O ATOM 276 CB LYS A 19 -4.555 -1.147 9.073 1.00 0.00 C ATOM 277 CG LYS A 19 -4.688 -1.101 7.560 1.00 0.00 C ATOM 278 CD LYS A 19 -5.075 -2.458 6.994 1.00 0.00 C ATOM 279 CE LYS A 19 -4.009 -3.504 7.274 1.00 0.00 C ATOM 280 NZ LYS A 19 -4.327 -4.317 8.481 1.00 0.00 N ATOM 0 H LYS A 19 -2.878 -1.723 10.783 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.969 0.280 8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.228 -2.143 9.371 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.536 -0.986 9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.439 -0.362 7.282 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.745 -0.778 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.022 -2.778 7.428 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.230 -2.374 5.918 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.911 -4.161 6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.046 -3.012 7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.577 -4.192 9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.236 -4.006 8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.390 -5.321 8.217 1.00 0.00 H new ATOM 294 N ALA A 20 -5.005 0.767 11.384 1.00 0.00 N ATOM 295 CA ALA A 20 -5.778 1.784 12.085 1.00 0.00 C ATOM 296 C ALA A 20 -4.869 2.874 12.644 1.00 0.00 C ATOM 297 O ALA A 20 -5.179 4.061 12.552 1.00 0.00 O ATOM 298 CB ALA A 20 -6.592 1.150 13.202 1.00 0.00 C ATOM 0 H ALA A 20 -5.021 -0.153 11.824 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.459 2.246 11.370 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.165 1.921 13.718 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.274 0.412 12.781 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.921 0.662 13.909 1.00 0.00 H new ATOM 304 N ASN A 21 -3.746 2.461 13.223 1.00 0.00 N ATOM 305 CA ASN A 21 -2.791 3.403 13.797 1.00 0.00 C ATOM 306 C ASN A 21 -2.275 4.369 12.735 1.00 0.00 C ATOM 307 O ASN A 21 -1.952 5.519 13.032 1.00 0.00 O ATOM 308 CB ASN A 21 -1.620 2.651 14.431 1.00 0.00 C ATOM 309 CG ASN A 21 -1.932 2.175 15.837 1.00 0.00 C ATOM 310 OD1 ASN A 21 -3.055 2.325 16.320 1.00 0.00 O ATOM 311 ND2 ASN A 21 -0.938 1.597 16.501 1.00 0.00 N ATOM 0 H ASN A 21 -3.475 1.481 13.307 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.304 3.978 14.568 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.363 1.794 13.809 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.745 3.301 14.456 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.089 1.256 17.450 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.023 1.494 16.062 1.00 0.00 H new ATOM 318 N LEU A 22 -2.199 3.893 11.497 1.00 0.00 N ATOM 319 CA LEU A 22 -1.723 4.715 10.390 1.00 0.00 C ATOM 320 C LEU A 22 -2.877 5.477 9.745 1.00 0.00 C ATOM 321 O LEU A 22 -2.791 6.685 9.525 1.00 0.00 O ATOM 322 CB LEU A 22 -1.022 3.844 9.345 1.00 0.00 C ATOM 323 CG LEU A 22 -0.559 4.584 8.088 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.552 5.568 8.425 1.00 0.00 C ATOM 325 CD2 LEU A 22 -0.094 3.596 7.030 1.00 0.00 C ATOM 0 H LEU A 22 -2.461 2.943 11.235 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.010 5.438 10.786 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.156 3.372 9.810 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.700 3.044 9.048 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.404 5.145 7.688 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.868 6.084 7.519 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.186 6.296 9.149 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.399 5.029 8.849 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.232 4.139 6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.737 3.008 7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.917 2.931 6.767 1.00 0.00 H new ATOM 337 N GLU A 23 -3.954 4.761 9.442 1.00 0.00 N ATOM 338 CA GLU A 23 -5.126 5.367 8.821 1.00 0.00 C ATOM 339 C GLU A 23 -5.748 6.419 9.736 1.00 0.00 C ATOM 340 O GLU A 23 -6.430 7.331 9.270 1.00 0.00 O ATOM 341 CB GLU A 23 -6.161 4.295 8.478 1.00 0.00 C ATOM 342 CG GLU A 23 -7.094 4.689 7.345 1.00 0.00 C ATOM 343 CD GLU A 23 -8.210 5.606 7.802 1.00 0.00 C ATOM 344 OE1 GLU A 23 -9.162 5.110 8.442 1.00 0.00 O ATOM 345 OE2 GLU A 23 -8.133 6.822 7.524 1.00 0.00 O ATOM 0 H GLU A 23 -4.040 3.760 9.616 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.804 5.857 7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.643 3.375 8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.754 4.077 9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.520 5.184 6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.525 3.790 6.905 1.00 0.00 H new ATOM 352 N LYS A 24 -5.508 6.289 11.037 1.00 0.00 N ATOM 353 CA LYS A 24 -6.046 7.239 12.004 1.00 0.00 C ATOM 354 C LYS A 24 -5.185 8.494 12.045 1.00 0.00 C ATOM 355 O LYS A 24 -5.697 9.608 12.156 1.00 0.00 O ATOM 356 CB LYS A 24 -6.120 6.607 13.395 1.00 0.00 C ATOM 357 CG LYS A 24 -6.904 7.436 14.398 1.00 0.00 C ATOM 358 CD LYS A 24 -6.333 7.301 15.800 1.00 0.00 C ATOM 359 CE LYS A 24 -6.863 6.059 16.500 1.00 0.00 C ATOM 360 NZ LYS A 24 -8.296 6.201 16.873 1.00 0.00 N ATOM 0 H LYS A 24 -4.948 5.540 11.444 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.054 7.512 11.693 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.578 5.621 13.313 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.108 6.458 13.772 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.888 8.484 14.097 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.947 7.120 14.397 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.245 7.255 15.748 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.587 8.186 16.384 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.742 5.195 15.847 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.272 5.867 17.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.538 5.494 17.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.463 7.155 17.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.890 6.053 16.032 1.00 0.00 H new ATOM 374 N ARG A 25 -3.875 8.305 11.940 1.00 0.00 N ATOM 375 CA ARG A 25 -2.942 9.423 11.949 1.00 0.00 C ATOM 376 C ARG A 25 -3.027 10.199 10.638 1.00 0.00 C ATOM 377 O ARG A 25 -2.659 11.372 10.575 1.00 0.00 O ATOM 378 CB ARG A 25 -1.513 8.924 12.174 1.00 0.00 C ATOM 379 CG ARG A 25 -1.245 8.469 13.599 1.00 0.00 C ATOM 380 CD ARG A 25 -1.328 9.629 14.578 1.00 0.00 C ATOM 381 NE ARG A 25 -2.686 9.826 15.080 1.00 0.00 N ATOM 382 CZ ARG A 25 -3.083 10.912 15.739 1.00 0.00 C ATOM 383 NH1 ARG A 25 -2.230 11.899 15.979 1.00 0.00 N ATOM 384 NH2 ARG A 25 -4.337 11.010 16.161 1.00 0.00 N ATOM 0 H ARG A 25 -3.436 7.389 11.848 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.213 10.090 12.768 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.315 8.096 11.494 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.814 9.721 11.918 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.967 7.702 13.879 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.257 8.012 13.657 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.655 9.445 15.416 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.986 10.541 14.089 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.370 9.088 14.916 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.264 11.828 15.658 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.540 12.729 16.484 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.997 10.253 15.980 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.642 11.842 16.666 1.00 0.00 H new ATOM 398 N ILE A 26 -3.515 9.534 9.592 1.00 0.00 N ATOM 399 CA ILE A 26 -3.653 10.160 8.285 1.00 0.00 C ATOM 400 C ILE A 26 -4.798 11.171 8.280 1.00 0.00 C ATOM 401 O ILE A 26 -4.774 12.148 7.530 1.00 0.00 O ATOM 402 CB ILE A 26 -3.873 9.105 7.172 1.00 0.00 C ATOM 403 CG1 ILE A 26 -3.342 9.628 5.838 1.00 0.00 C ATOM 404 CG2 ILE A 26 -5.345 8.725 7.047 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.914 9.218 5.553 1.00 0.00 C ATOM 0 H ILE A 26 -3.821 8.562 9.628 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.721 10.686 8.079 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.321 8.206 7.447 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.983 9.266 5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.407 10.716 5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.463 7.983 6.257 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.695 8.308 7.992 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.930 9.612 6.803 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.604 9.624 4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.262 9.603 6.337 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.846 8.130 5.526 1.00 0.00 H new ATOM 417 N LYS A 27 -5.801 10.928 9.123 1.00 0.00 N ATOM 418 CA LYS A 27 -6.953 11.815 9.214 1.00 0.00 C ATOM 419 C LYS A 27 -6.719 12.911 10.248 1.00 0.00 C ATOM 420 O LYS A 27 -7.243 14.018 10.123 1.00 0.00 O ATOM 421 CB LYS A 27 -8.208 11.019 9.576 1.00 0.00 C ATOM 422 CG LYS A 27 -9.502 11.773 9.316 1.00 0.00 C ATOM 423 CD LYS A 27 -10.131 12.266 10.610 1.00 0.00 C ATOM 424 CE LYS A 27 -11.428 13.015 10.350 1.00 0.00 C ATOM 425 NZ LYS A 27 -11.552 14.224 11.209 1.00 0.00 N ATOM 0 H LYS A 27 -5.836 10.125 9.751 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.094 12.284 8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.217 10.091 9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.163 10.744 10.630 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.304 12.621 8.660 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.204 11.123 8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.325 11.418 11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.431 12.919 11.130 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.474 13.308 9.301 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.273 12.352 10.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.449 14.707 11.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.534 13.942 12.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.759 14.869 11.017 1.00 0.00 H new ATOM 439 N ALA A 28 -5.930 12.596 11.270 1.00 0.00 N ATOM 440 CA ALA A 28 -5.630 13.557 12.324 1.00 0.00 C ATOM 441 C ALA A 28 -4.668 14.631 11.828 1.00 0.00 C ATOM 442 O ALA A 28 -4.787 15.801 12.194 1.00 0.00 O ATOM 443 CB ALA A 28 -5.050 12.843 13.538 1.00 0.00 C ATOM 0 H ALA A 28 -5.488 11.685 11.390 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.560 14.046 12.614 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.830 13.572 14.318 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.772 12.117 13.912 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.132 12.328 13.253 1.00 0.00 H new ATOM 449 N PHE A 29 -3.717 14.227 10.992 1.00 0.00 N ATOM 450 CA PHE A 29 -2.737 15.155 10.443 1.00 0.00 C ATOM 451 C PHE A 29 -3.266 15.820 9.177 1.00 0.00 C ATOM 452 O PHE A 29 -2.915 16.960 8.868 1.00 0.00 O ATOM 453 CB PHE A 29 -1.427 14.425 10.140 1.00 0.00 C ATOM 454 CG PHE A 29 -0.501 14.337 11.318 1.00 0.00 C ATOM 455 CD1 PHE A 29 0.386 15.365 11.597 1.00 0.00 C ATOM 456 CD2 PHE A 29 -0.517 13.227 12.148 1.00 0.00 C ATOM 457 CE1 PHE A 29 1.240 15.287 12.681 1.00 0.00 C ATOM 458 CE2 PHE A 29 0.336 13.144 13.233 1.00 0.00 C ATOM 459 CZ PHE A 29 1.215 14.175 13.500 1.00 0.00 C ATOM 0 H PHE A 29 -3.605 13.262 10.680 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.550 15.929 11.187 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.655 13.418 9.791 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.916 14.937 9.324 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.410 16.237 10.960 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.203 12.418 11.945 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.926 16.095 12.887 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.315 12.273 13.871 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.882 14.112 14.347 1.00 0.00 H new ATOM 469 N GLY A 30 -4.114 15.101 8.446 1.00 0.00 N ATOM 470 CA GLY A 30 -4.679 15.638 7.223 1.00 0.00 C ATOM 471 C GLY A 30 -3.866 15.269 5.997 1.00 0.00 C ATOM 472 O GLY A 30 -3.656 16.098 5.112 1.00 0.00 O ATOM 0 H GLY A 30 -4.419 14.156 8.680 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.698 15.269 7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.741 16.723 7.301 1.00 0.00 H new ATOM 476 N LEU A 31 -3.408 14.022 5.946 1.00 0.00 N ATOM 477 CA LEU A 31 -2.613 13.548 4.819 1.00 0.00 C ATOM 478 C LEU A 31 -3.464 12.712 3.865 1.00 0.00 C ATOM 479 O LEU A 31 -2.949 11.856 3.148 1.00 0.00 O ATOM 480 CB LEU A 31 -1.423 12.718 5.314 1.00 0.00 C ATOM 481 CG LEU A 31 -0.780 13.207 6.616 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.417 12.029 7.507 1.00 0.00 C ATOM 483 CD2 LEU A 31 0.450 14.051 6.316 1.00 0.00 C ATOM 0 H LEU A 31 -3.573 13.323 6.670 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.241 14.420 4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.753 11.689 5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.661 12.705 4.535 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.502 13.827 7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.038 12.395 8.427 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.317 11.464 7.748 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.289 11.382 6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.895 14.391 7.251 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.176 13.453 5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.161 14.915 5.717 1.00 0.00 H new ATOM 495 N GLN A 32 -4.770 12.965 3.864 1.00 0.00 N ATOM 496 CA GLN A 32 -5.689 12.237 2.999 1.00 0.00 C ATOM 497 C GLN A 32 -5.437 12.560 1.526 1.00 0.00 C ATOM 498 O GLN A 32 -5.888 11.838 0.638 1.00 0.00 O ATOM 499 CB GLN A 32 -7.137 12.566 3.363 1.00 0.00 C ATOM 500 CG GLN A 32 -7.466 12.318 4.828 1.00 0.00 C ATOM 501 CD GLN A 32 -8.958 12.259 5.088 1.00 0.00 C ATOM 502 OE1 GLN A 32 -9.486 11.232 5.515 1.00 0.00 O ATOM 503 NE2 GLN A 32 -9.650 13.364 4.831 1.00 0.00 N ATOM 0 H GLN A 32 -5.214 13.669 4.453 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.515 11.172 3.150 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.334 13.612 3.127 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.804 11.968 2.743 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.008 11.381 5.146 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.026 13.110 5.434 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.173 14.194 4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.658 13.382 4.987 1.00 0.00 H new ATOM 512 N ASP A 33 -4.718 13.651 1.273 1.00 0.00 N ATOM 513 CA ASP A 33 -4.412 14.065 -0.091 1.00 0.00 C ATOM 514 C ASP A 33 -3.250 13.255 -0.662 1.00 0.00 C ATOM 515 O ASP A 33 -3.130 13.096 -1.876 1.00 0.00 O ATOM 516 CB ASP A 33 -4.080 15.558 -0.131 1.00 0.00 C ATOM 517 CG ASP A 33 -4.867 16.297 -1.195 1.00 0.00 C ATOM 518 OD1 ASP A 33 -4.398 16.350 -2.352 1.00 0.00 O ATOM 519 OD2 ASP A 33 -5.952 16.825 -0.873 1.00 0.00 O ATOM 0 H ASP A 33 -4.337 14.263 1.995 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.293 13.880 -0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.288 16.000 0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.014 15.685 -0.318 1.00 0.00 H new ATOM 524 N LYS A 34 -2.395 12.747 0.221 1.00 0.00 N ATOM 525 CA LYS A 34 -1.244 11.956 -0.200 1.00 0.00 C ATOM 526 C LYS A 34 -1.659 10.525 -0.524 1.00 0.00 C ATOM 527 O LYS A 34 -1.503 10.065 -1.656 1.00 0.00 O ATOM 528 CB LYS A 34 -0.170 11.956 0.889 1.00 0.00 C ATOM 529 CG LYS A 34 0.858 13.063 0.730 1.00 0.00 C ATOM 530 CD LYS A 34 0.293 14.412 1.146 1.00 0.00 C ATOM 531 CE LYS A 34 0.478 14.659 2.634 1.00 0.00 C ATOM 532 NZ LYS A 34 0.467 16.112 2.961 1.00 0.00 N ATOM 0 H LYS A 34 -2.477 12.869 1.230 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.833 12.409 -1.102 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.651 12.056 1.862 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.341 10.993 0.883 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.737 12.834 1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.187 13.109 -0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.785 15.204 0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.768 14.455 0.898 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.316 14.156 3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.421 14.220 2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.562 16.237 3.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.260 16.582 2.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.429 16.533 2.642 1.00 0.00 H new ATOM 546 N ILE A 35 -2.192 9.825 0.471 1.00 0.00 N ATOM 547 CA ILE A 35 -2.631 8.447 0.283 1.00 0.00 C ATOM 548 C ILE A 35 -3.997 8.402 -0.389 1.00 0.00 C ATOM 549 O ILE A 35 -4.748 9.377 -0.358 1.00 0.00 O ATOM 550 CB ILE A 35 -2.703 7.686 1.618 1.00 0.00 C ATOM 551 CG1 ILE A 35 -3.609 8.423 2.608 1.00 0.00 C ATOM 552 CG2 ILE A 35 -1.311 7.499 2.198 1.00 0.00 C ATOM 553 CD1 ILE A 35 -4.543 7.506 3.368 1.00 0.00 C ATOM 0 H ILE A 35 -2.330 10.188 1.414 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.892 7.963 -0.356 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.132 6.701 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.989 8.968 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.199 9.163 2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.380 6.959 3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.699 6.930 1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.855 8.474 2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.155 8.095 4.051 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.188 6.980 2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.959 6.782 3.936 1.00 0.00 H new ATOM 565 N PHE A 36 -4.315 7.267 -1.001 1.00 0.00 N ATOM 566 CA PHE A 36 -5.593 7.104 -1.682 1.00 0.00 C ATOM 567 C PHE A 36 -6.124 5.688 -1.523 1.00 0.00 C ATOM 568 O PHE A 36 -7.285 5.487 -1.166 1.00 0.00 O ATOM 569 CB PHE A 36 -5.449 7.433 -3.168 1.00 0.00 C ATOM 570 CG PHE A 36 -4.651 8.675 -3.431 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.122 9.916 -3.034 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.425 8.600 -4.071 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.384 11.060 -3.272 1.00 0.00 C ATOM 574 CE2 PHE A 36 -2.684 9.740 -4.312 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.164 10.972 -3.912 1.00 0.00 C ATOM 0 H PHE A 36 -3.707 6.449 -1.039 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.303 7.794 -1.225 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.975 6.592 -3.674 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.441 7.549 -3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.076 9.990 -2.533 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.044 7.639 -4.385 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.761 12.022 -2.958 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.730 9.668 -4.813 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.586 11.865 -4.100 1.00 0.00 H new ATOM 585 N GLN A 37 -5.274 4.706 -1.802 1.00 0.00 N ATOM 586 CA GLN A 37 -5.676 3.309 -1.697 1.00 0.00 C ATOM 587 C GLN A 37 -4.842 2.567 -0.657 1.00 0.00 C ATOM 588 O GLN A 37 -3.657 2.843 -0.483 1.00 0.00 O ATOM 589 CB GLN A 37 -5.557 2.623 -3.058 1.00 0.00 C ATOM 590 CG GLN A 37 -6.887 2.423 -3.763 1.00 0.00 C ATOM 591 CD GLN A 37 -7.185 3.520 -4.764 1.00 0.00 C ATOM 592 OE1 GLN A 37 -6.769 3.313 -6.007 1.00 0.00 O flip ATOM 593 NE2 GLN A 37 -7.785 4.541 -4.423 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.309 4.850 -2.100 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.716 3.282 -1.373 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.903 3.216 -3.697 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.078 1.653 -2.925 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.882 1.461 -4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.685 2.386 -3.022 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.086 4.657 -3.455 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.981 5.270 -5.109 1.00 0.00 H new ATOM 602 N VAL A 38 -5.477 1.621 0.027 1.00 0.00 N ATOM 603 CA VAL A 38 -4.805 0.829 1.051 1.00 0.00 C ATOM 604 C VAL A 38 -5.418 -0.564 1.150 1.00 0.00 C ATOM 605 O VAL A 38 -6.488 -0.742 1.731 1.00 0.00 O ATOM 606 CB VAL A 38 -4.882 1.508 2.432 1.00 0.00 C ATOM 607 CG1 VAL A 38 -3.865 2.635 2.533 1.00 0.00 C ATOM 608 CG2 VAL A 38 -6.287 2.024 2.700 1.00 0.00 C ATOM 0 H VAL A 38 -6.459 1.384 -0.110 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.759 0.748 0.754 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.643 0.764 3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.935 3.102 3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.861 2.233 2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.068 3.379 1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.319 2.500 3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.560 2.751 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.991 1.192 2.677 1.00 0.00 H new ATOM 618 N LEU A 39 -4.735 -1.550 0.574 1.00 0.00 N ATOM 619 CA LEU A 39 -5.218 -2.926 0.594 1.00 0.00 C ATOM 620 C LEU A 39 -4.310 -3.813 1.442 1.00 0.00 C ATOM 621 O LEU A 39 -3.132 -3.512 1.634 1.00 0.00 O ATOM 622 CB LEU A 39 -5.307 -3.479 -0.829 1.00 0.00 C ATOM 623 CG LEU A 39 -6.603 -3.151 -1.572 1.00 0.00 C ATOM 624 CD1 LEU A 39 -7.782 -3.864 -0.928 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.836 -1.647 -1.595 1.00 0.00 C ATOM 0 H LEU A 39 -3.847 -1.421 0.089 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.213 -2.927 1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.467 -3.091 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.193 -4.562 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.510 -3.501 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.696 -3.619 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.618 -4.941 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.878 -3.544 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.762 -1.430 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.909 -1.274 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.004 -1.158 -2.101 1.00 0.00 H new ATOM 637 N ILE A 40 -4.871 -4.908 1.946 1.00 0.00 N ATOM 638 CA ILE A 40 -4.117 -5.843 2.772 1.00 0.00 C ATOM 639 C ILE A 40 -3.746 -7.098 1.984 1.00 0.00 C ATOM 640 O ILE A 40 -4.610 -7.745 1.392 1.00 0.00 O ATOM 641 CB ILE A 40 -4.914 -6.255 4.025 1.00 0.00 C ATOM 642 CG1 ILE A 40 -5.514 -5.024 4.705 1.00 0.00 C ATOM 643 CG2 ILE A 40 -4.023 -7.021 4.992 1.00 0.00 C ATOM 644 CD1 ILE A 40 -6.889 -4.659 4.189 1.00 0.00 C ATOM 0 H ILE A 40 -5.846 -5.169 1.796 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.207 -5.329 3.082 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.730 -6.909 3.718 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.574 -5.205 5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.844 -4.176 4.561 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.600 -7.305 5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.642 -7.918 4.503 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.187 -6.390 5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.253 -3.777 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.832 -4.446 3.121 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.573 -5.490 4.358 1.00 0.00 H new ATOM 656 N PRO A 41 -2.451 -7.463 1.962 1.00 0.00 N ATOM 657 CA PRO A 41 -1.975 -8.647 1.236 1.00 0.00 C ATOM 658 C PRO A 41 -2.442 -9.952 1.877 1.00 0.00 C ATOM 659 O PRO A 41 -1.630 -10.762 2.324 1.00 0.00 O ATOM 660 CB PRO A 41 -0.452 -8.529 1.320 1.00 0.00 C ATOM 661 CG PRO A 41 -0.199 -7.714 2.540 1.00 0.00 C ATOM 662 CD PRO A 41 -1.349 -6.750 2.637 1.00 0.00 C ATOM 0 HA PRO A 41 -2.359 -8.678 0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.017 -9.510 1.396 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.043 -8.048 0.431 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.143 -8.345 3.427 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.750 -7.183 2.466 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.595 -6.520 3.674 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.122 -5.804 2.146 1.00 0.00 H new ATOM 670 N THR A 42 -3.756 -10.151 1.916 1.00 0.00 N ATOM 671 CA THR A 42 -4.327 -11.360 2.500 1.00 0.00 C ATOM 672 C THR A 42 -5.381 -11.968 1.580 1.00 0.00 C ATOM 673 O THR A 42 -6.161 -11.251 0.953 1.00 0.00 O ATOM 674 CB THR A 42 -4.942 -11.049 3.865 1.00 0.00 C ATOM 675 OG1 THR A 42 -5.909 -10.019 3.756 1.00 0.00 O ATOM 676 CG2 THR A 42 -3.925 -10.616 4.897 1.00 0.00 C ATOM 0 H THR A 42 -4.444 -9.492 1.551 1.00 0.00 H new ATOM 0 HA THR A 42 -3.523 -12.085 2.627 1.00 0.00 H new ATOM 0 HB THR A 42 -5.395 -11.984 4.196 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.292 -9.835 4.639 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.429 -10.411 5.841 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.192 -11.410 5.041 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.419 -9.714 4.553 1.00 0.00 H new ATOM 948 N LYS A 59 -5.106 -16.635 4.017 1.00 0.00 N ATOM 949 CA LYS A 59 -3.686 -16.931 3.875 1.00 0.00 C ATOM 950 C LYS A 59 -2.918 -15.696 3.419 1.00 0.00 C ATOM 951 O LYS A 59 -2.898 -15.368 2.234 1.00 0.00 O ATOM 952 CB LYS A 59 -3.477 -18.075 2.878 1.00 0.00 C ATOM 953 CG LYS A 59 -4.320 -17.948 1.620 1.00 0.00 C ATOM 954 CD LYS A 59 -4.345 -19.249 0.833 1.00 0.00 C ATOM 955 CE LYS A 59 -3.315 -19.242 -0.285 1.00 0.00 C ATOM 956 NZ LYS A 59 -3.703 -20.147 -1.403 1.00 0.00 N ATOM 0 HA LYS A 59 -3.304 -17.236 4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.424 -18.113 2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.711 -19.020 3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.337 -17.665 1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.922 -17.150 0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.150 -20.085 1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.339 -19.403 0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.197 -18.227 -0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.347 -19.549 0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.975 -20.114 -2.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.791 -21.120 -1.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.614 -19.839 -1.798 1.00 0.00 H new ATOM 970 N LYS A 60 -2.290 -15.011 4.371 1.00 0.00 N ATOM 971 CA LYS A 60 -1.523 -13.808 4.068 1.00 0.00 C ATOM 972 C LYS A 60 -0.460 -14.087 3.010 1.00 0.00 C ATOM 973 O LYS A 60 0.557 -14.724 3.288 1.00 0.00 O ATOM 974 CB LYS A 60 -0.865 -13.263 5.338 1.00 0.00 C ATOM 975 CG LYS A 60 -0.014 -14.286 6.072 1.00 0.00 C ATOM 976 CD LYS A 60 0.275 -13.848 7.499 1.00 0.00 C ATOM 977 CE LYS A 60 -0.951 -13.989 8.385 1.00 0.00 C ATOM 978 NZ LYS A 60 -1.228 -15.412 8.729 1.00 0.00 N ATOM 0 H LYS A 60 -2.298 -15.269 5.358 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.212 -13.061 3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.243 -12.407 5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.641 -12.899 6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.527 -15.248 6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.925 -14.431 5.537 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.090 -14.446 7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.609 -12.811 7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.805 -13.416 9.301 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.817 -13.563 7.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.974 -15.455 9.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.542 -15.920 7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.362 -15.855 9.097 1.00 0.00 H new ATOM 992 N LEU A 61 -0.701 -13.600 1.798 1.00 0.00 N ATOM 993 CA LEU A 61 0.235 -13.794 0.696 1.00 0.00 C ATOM 994 C LEU A 61 1.569 -13.124 1.001 1.00 0.00 C ATOM 995 O LEU A 61 2.625 -13.750 0.904 1.00 0.00 O ATOM 996 CB LEU A 61 -0.347 -13.234 -0.604 1.00 0.00 C ATOM 997 CG LEU A 61 -1.848 -13.479 -0.800 1.00 0.00 C ATOM 998 CD1 LEU A 61 -2.603 -12.159 -0.853 1.00 0.00 C ATOM 999 CD2 LEU A 61 -2.096 -14.288 -2.066 1.00 0.00 C ATOM 0 H LEU A 61 -1.536 -13.068 1.553 1.00 0.00 H new ATOM 0 HA LEU A 61 0.402 -14.864 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.162 -12.160 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.190 -13.674 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.217 -14.051 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.666 -12.353 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.453 -11.616 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.231 -11.560 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.167 -14.452 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.711 -13.742 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.588 -15.249 -1.989 1.00 0.00 H new ATOM 1011 N PHE A 62 1.514 -11.851 1.376 1.00 0.00 N ATOM 1012 CA PHE A 62 2.719 -11.099 1.703 1.00 0.00 C ATOM 1013 C PHE A 62 2.831 -10.902 3.216 1.00 0.00 C ATOM 1014 O PHE A 62 2.250 -9.970 3.772 1.00 0.00 O ATOM 1015 CB PHE A 62 2.713 -9.741 0.995 1.00 0.00 C ATOM 1016 CG PHE A 62 2.484 -9.838 -0.487 1.00 0.00 C ATOM 1017 CD1 PHE A 62 1.228 -10.139 -0.990 1.00 0.00 C ATOM 1018 CD2 PHE A 62 3.525 -9.628 -1.378 1.00 0.00 C ATOM 1019 CE1 PHE A 62 1.014 -10.228 -2.353 1.00 0.00 C ATOM 1020 CE2 PHE A 62 3.318 -9.716 -2.742 1.00 0.00 C ATOM 1021 CZ PHE A 62 2.060 -10.017 -3.229 1.00 0.00 C ATOM 0 H PHE A 62 0.648 -11.319 1.461 1.00 0.00 H new ATOM 0 HA PHE A 62 3.582 -11.668 1.358 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.937 -9.115 1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.665 -9.242 1.176 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.407 -10.306 -0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.510 -9.393 -1.002 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.030 -10.462 -2.732 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.137 -9.550 -3.426 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.895 -10.087 -4.294 1.00 0.00 H new ATOM 1031 N PRO A 63 3.576 -11.787 3.908 1.00 0.00 N ATOM 1032 CA PRO A 63 3.749 -11.705 5.361 1.00 0.00 C ATOM 1033 C PRO A 63 4.345 -10.374 5.803 1.00 0.00 C ATOM 1034 O PRO A 63 5.370 -9.935 5.280 1.00 0.00 O ATOM 1035 CB PRO A 63 4.711 -12.857 5.686 1.00 0.00 C ATOM 1036 CG PRO A 63 5.329 -13.236 4.384 1.00 0.00 C ATOM 1037 CD PRO A 63 4.300 -12.933 3.335 1.00 0.00 C ATOM 0 HA PRO A 63 2.794 -11.776 5.881 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.469 -12.545 6.405 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.180 -13.699 6.129 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.244 -12.671 4.207 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.599 -14.292 4.373 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.759 -12.684 2.378 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.639 -13.782 3.160 1.00 0.00 H new ATOM 1045 N GLY A 64 3.695 -9.735 6.771 1.00 0.00 N ATOM 1046 CA GLY A 64 4.171 -8.460 7.272 1.00 0.00 C ATOM 1047 C GLY A 64 4.319 -7.424 6.177 1.00 0.00 C ATOM 1048 O GLY A 64 5.283 -6.659 6.163 1.00 0.00 O ATOM 0 H GLY A 64 2.845 -10.079 7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.478 -8.089 8.027 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.133 -8.603 7.764 1.00 0.00 H new ATOM 1052 N TYR A 65 3.363 -7.399 5.253 1.00 0.00 N ATOM 1053 CA TYR A 65 3.391 -6.449 4.147 1.00 0.00 C ATOM 1054 C TYR A 65 2.108 -5.624 4.102 1.00 0.00 C ATOM 1055 O TYR A 65 1.025 -6.126 4.403 1.00 0.00 O ATOM 1056 CB TYR A 65 3.583 -7.189 2.819 1.00 0.00 C ATOM 1057 CG TYR A 65 4.969 -7.038 2.234 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.387 -5.827 1.695 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.857 -8.106 2.218 1.00 0.00 C ATOM 1060 CE1 TYR A 65 6.653 -5.686 1.157 1.00 0.00 C ATOM 1061 CE2 TYR A 65 7.124 -7.972 1.682 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.516 -6.761 1.153 1.00 0.00 C ATOM 1063 OH TYR A 65 8.777 -6.625 0.617 1.00 0.00 O ATOM 0 H TYR A 65 2.559 -8.027 5.249 1.00 0.00 H new ATOM 0 HA TYR A 65 4.230 -5.771 4.304 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.376 -8.248 2.970 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.852 -6.821 2.099 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.713 -4.983 1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.553 -9.056 2.631 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.964 -4.739 0.742 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.803 -8.812 1.678 1.00 0.00 H new ATOM 0 HH TYR A 65 9.447 -6.762 1.319 1.00 0.00 H new ATOM 1073 N LEU A 66 2.238 -4.358 3.723 1.00 0.00 N ATOM 1074 CA LEU A 66 1.091 -3.463 3.633 1.00 0.00 C ATOM 1075 C LEU A 66 1.173 -2.606 2.375 1.00 0.00 C ATOM 1076 O LEU A 66 2.169 -1.922 2.145 1.00 0.00 O ATOM 1077 CB LEU A 66 1.015 -2.570 4.876 1.00 0.00 C ATOM 1078 CG LEU A 66 -0.230 -2.768 5.739 1.00 0.00 C ATOM 1079 CD1 LEU A 66 0.087 -2.512 7.204 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -1.355 -1.859 5.269 1.00 0.00 C ATOM 0 H LEU A 66 3.128 -3.928 3.473 1.00 0.00 H new ATOM 0 HA LEU A 66 0.187 -4.070 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.897 -2.752 5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.057 -1.528 4.559 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.558 -3.802 5.636 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.813 -2.658 7.802 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.860 -3.206 7.536 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.441 -1.488 7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.234 -2.014 5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.037 -0.819 5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.602 -2.092 4.233 1.00 0.00 H new ATOM 1092 N PHE A 67 0.125 -2.651 1.559 1.00 0.00 N ATOM 1093 CA PHE A 67 0.089 -1.879 0.320 1.00 0.00 C ATOM 1094 C PHE A 67 -0.654 -0.561 0.512 1.00 0.00 C ATOM 1095 O PHE A 67 -1.735 -0.523 1.096 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.575 -2.692 -0.793 1.00 0.00 C ATOM 1097 CG PHE A 67 -0.011 -4.075 -0.956 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.347 -4.312 -0.802 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -0.840 -5.138 -1.270 1.00 0.00 C ATOM 1100 CE1 PHE A 67 1.864 -5.584 -0.956 1.00 0.00 C ATOM 1101 CE2 PHE A 67 -0.328 -6.412 -1.427 1.00 0.00 C ATOM 1102 CZ PHE A 67 1.026 -6.635 -1.269 1.00 0.00 C ATOM 0 H PHE A 67 -0.709 -3.212 1.732 1.00 0.00 H new ATOM 0 HA PHE A 67 1.117 -1.654 0.037 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.643 -2.768 -0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.470 -2.154 -1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.008 -3.493 -0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.900 -4.970 -1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.923 -5.756 -0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.986 -7.232 -1.673 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.428 -7.630 -1.390 1.00 0.00 H new ATOM 1112 N ILE A 68 -0.062 0.521 0.010 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.663 1.846 0.119 1.00 0.00 C ATOM 1114 C ILE A 68 -0.422 2.657 -1.149 1.00 0.00 C ATOM 1115 O ILE A 68 0.716 3.003 -1.466 1.00 0.00 O ATOM 1116 CB ILE A 68 -0.099 2.628 1.323 1.00 0.00 C ATOM 1117 CG1 ILE A 68 -0.045 1.739 2.567 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.938 3.870 1.588 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.307 1.095 2.789 1.00 0.00 C ATOM 0 H ILE A 68 0.834 0.505 -0.477 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.733 1.696 0.263 1.00 0.00 H new ATOM 0 HB ILE A 68 0.917 2.942 1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.303 2.336 3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.801 0.958 2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.528 4.411 2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.923 4.513 0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.965 3.576 1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.273 0.479 3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.558 0.472 1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.064 1.870 2.908 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.495 2.964 -1.872 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.383 3.739 -3.104 1.00 0.00 C ATOM 1133 C GLN A 69 -1.248 5.224 -2.800 1.00 0.00 C ATOM 1134 O GLN A 69 -2.203 5.991 -2.949 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.599 3.506 -3.998 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.321 3.745 -5.473 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.577 4.077 -6.256 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.026 5.222 -6.276 1.00 0.00 O ATOM 1139 NE2 GLN A 69 -4.149 3.071 -6.907 1.00 0.00 N ATOM 0 H GLN A 69 -2.447 2.690 -1.628 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.487 3.405 -3.628 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.948 2.482 -3.863 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.407 4.163 -3.677 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.606 4.561 -5.577 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.855 2.857 -5.900 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.741 2.137 -6.862 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.996 3.232 -7.452 1.00 0.00 H new ATOM 1148 N MET A 70 -0.052 5.617 -2.372 1.00 0.00 N ATOM 1149 CA MET A 70 0.231 7.010 -2.047 1.00 0.00 C ATOM 1150 C MET A 70 0.781 7.751 -3.265 1.00 0.00 C ATOM 1151 O MET A 70 0.744 7.241 -4.383 1.00 0.00 O ATOM 1152 CB MET A 70 1.218 7.096 -0.881 1.00 0.00 C ATOM 1153 CG MET A 70 2.623 6.634 -1.232 1.00 0.00 C ATOM 1154 SD MET A 70 3.814 6.978 0.077 1.00 0.00 S ATOM 1155 CE MET A 70 3.175 5.946 1.393 1.00 0.00 C ATOM 0 H MET A 70 0.739 4.987 -2.242 1.00 0.00 H new ATOM 0 HA MET A 70 -0.703 7.487 -1.750 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.262 8.127 -0.529 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.843 6.493 -0.054 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.609 5.563 -1.433 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.945 7.127 -2.149 1.00 0.00 H new ATOM 0 HE1 MET A 70 4.005 5.503 1.944 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.572 6.551 2.070 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.558 5.154 0.968 1.00 0.00 H new ATOM 1165 N ASP A 71 1.303 8.952 -3.033 1.00 0.00 N ATOM 1166 CA ASP A 71 1.872 9.761 -4.104 1.00 0.00 C ATOM 1167 C ASP A 71 2.885 10.759 -3.548 1.00 0.00 C ATOM 1168 O ASP A 71 2.527 11.872 -3.162 1.00 0.00 O ATOM 1169 CB ASP A 71 0.764 10.499 -4.859 1.00 0.00 C ATOM 1170 CG ASP A 71 1.303 11.392 -5.961 1.00 0.00 C ATOM 1171 OD1 ASP A 71 2.347 11.043 -6.549 1.00 0.00 O ATOM 1172 OD2 ASP A 71 0.681 12.440 -6.234 1.00 0.00 O ATOM 0 H ASP A 71 1.343 9.386 -2.111 1.00 0.00 H new ATOM 0 HA ASP A 71 2.388 9.096 -4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.076 9.771 -5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.190 11.102 -4.156 1.00 0.00 H new ATOM 1177 N LEU A 72 4.148 10.352 -3.513 1.00 0.00 N ATOM 1178 CA LEU A 72 5.214 11.208 -3.005 1.00 0.00 C ATOM 1179 C LEU A 72 5.648 12.221 -4.060 1.00 0.00 C ATOM 1180 O LEU A 72 6.095 13.320 -3.732 1.00 0.00 O ATOM 1181 CB LEU A 72 6.412 10.361 -2.570 1.00 0.00 C ATOM 1182 CG LEU A 72 6.130 9.377 -1.434 1.00 0.00 C ATOM 1183 CD1 LEU A 72 7.398 8.634 -1.047 1.00 0.00 C ATOM 1184 CD2 LEU A 72 5.549 10.105 -0.232 1.00 0.00 C ATOM 0 H LEU A 72 4.460 9.434 -3.830 1.00 0.00 H new ATOM 0 HA LEU A 72 4.830 11.752 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.775 9.802 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.216 11.028 -2.261 1.00 0.00 H new ATOM 0 HG LEU A 72 5.398 8.648 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.179 7.938 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.773 8.082 -1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.152 9.349 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.354 9.390 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.259 10.855 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.617 10.593 -0.518 1.00 0.00 H new ATOM 1245 N GLU A 77 13.122 14.278 -1.571 1.00 0.00 N ATOM 1246 CA GLU A 77 12.595 14.539 -0.236 1.00 0.00 C ATOM 1247 C GLU A 77 11.096 14.246 -0.173 1.00 0.00 C ATOM 1248 O GLU A 77 10.290 14.988 -0.734 1.00 0.00 O ATOM 1249 CB GLU A 77 12.857 15.992 0.162 1.00 0.00 C ATOM 1250 CG GLU A 77 14.304 16.421 -0.019 1.00 0.00 C ATOM 1251 CD GLU A 77 14.464 17.928 -0.073 1.00 0.00 C ATOM 1252 OE1 GLU A 77 13.478 18.618 -0.409 1.00 0.00 O ATOM 1253 OE2 GLU A 77 15.574 18.419 0.220 1.00 0.00 O ATOM 0 HA GLU A 77 13.106 13.878 0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.216 16.644 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.573 16.131 1.205 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.902 16.025 0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.696 15.985 -0.938 1.00 0.00 H new ATOM 1260 N PRO A 78 10.699 13.158 0.514 1.00 0.00 N ATOM 1261 CA PRO A 78 9.286 12.781 0.642 1.00 0.00 C ATOM 1262 C PRO A 78 8.429 13.925 1.175 1.00 0.00 C ATOM 1263 O PRO A 78 8.946 14.977 1.552 1.00 0.00 O ATOM 1264 CB PRO A 78 9.312 11.623 1.643 1.00 0.00 C ATOM 1265 CG PRO A 78 10.683 11.053 1.529 1.00 0.00 C ATOM 1266 CD PRO A 78 11.588 12.213 1.217 1.00 0.00 C ATOM 0 HA PRO A 78 8.847 12.518 -0.320 1.00 0.00 H new ATOM 0 HB2 PRO A 78 9.111 11.971 2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.553 10.878 1.406 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.981 10.564 2.456 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.729 10.300 0.742 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.006 12.652 2.123 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.428 11.911 0.592 1.00 0.00 H new ATOM 1274 N ASN A 79 7.118 13.712 1.202 1.00 0.00 N ATOM 1275 CA ASN A 79 6.190 14.726 1.687 1.00 0.00 C ATOM 1276 C ASN A 79 5.954 14.576 3.188 1.00 0.00 C ATOM 1277 O ASN A 79 6.633 13.798 3.858 1.00 0.00 O ATOM 1278 CB ASN A 79 4.859 14.631 0.938 1.00 0.00 C ATOM 1279 CG ASN A 79 4.266 15.993 0.635 1.00 0.00 C ATOM 1280 OD1 ASN A 79 3.034 16.214 1.079 1.00 0.00 O flip ATOM 1281 ND2 ASN A 79 4.908 16.838 0.011 1.00 0.00 N flip ATOM 0 H ASN A 79 6.674 12.847 0.894 1.00 0.00 H new ATOM 0 HA ASN A 79 6.633 15.705 1.503 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.009 14.088 0.005 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.151 14.054 1.533 1.00 0.00 H new ATOM 0 HD21 ASN A 79 5.852 16.626 -0.312 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.496 17.751 -0.183 1.00 0.00 H new ATOM 1288 N GLU A 80 4.988 15.327 3.706 1.00 0.00 N ATOM 1289 CA GLU A 80 4.661 15.279 5.127 1.00 0.00 C ATOM 1290 C GLU A 80 4.082 13.920 5.509 1.00 0.00 C ATOM 1291 O GLU A 80 4.209 13.480 6.652 1.00 0.00 O ATOM 1292 CB GLU A 80 3.667 16.386 5.480 1.00 0.00 C ATOM 1293 CG GLU A 80 3.302 16.429 6.955 1.00 0.00 C ATOM 1294 CD GLU A 80 3.963 17.580 7.686 1.00 0.00 C ATOM 1295 OE1 GLU A 80 5.168 17.814 7.458 1.00 0.00 O ATOM 1296 OE2 GLU A 80 3.276 18.246 8.489 1.00 0.00 O ATOM 0 H GLU A 80 4.418 15.976 3.164 1.00 0.00 H new ATOM 0 HA GLU A 80 5.582 15.432 5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.090 17.348 5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.759 16.248 4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.220 16.513 7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.593 15.490 7.425 1.00 0.00 H new ATOM 1303 N ALA A 81 3.446 13.258 4.547 1.00 0.00 N ATOM 1304 CA ALA A 81 2.846 11.950 4.783 1.00 0.00 C ATOM 1305 C ALA A 81 3.864 10.972 5.359 1.00 0.00 C ATOM 1306 O ALA A 81 3.541 10.166 6.232 1.00 0.00 O ATOM 1307 CB ALA A 81 2.256 11.401 3.493 1.00 0.00 C ATOM 0 H ALA A 81 3.333 13.607 3.595 1.00 0.00 H new ATOM 0 HA ALA A 81 2.047 12.072 5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.811 10.424 3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.490 12.083 3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.044 11.302 2.746 1.00 0.00 H new ATOM 1313 N TRP A 82 5.096 11.048 4.867 1.00 0.00 N ATOM 1314 CA TRP A 82 6.162 10.170 5.335 1.00 0.00 C ATOM 1315 C TRP A 82 6.516 10.471 6.787 1.00 0.00 C ATOM 1316 O TRP A 82 6.825 9.567 7.562 1.00 0.00 O ATOM 1317 CB TRP A 82 7.403 10.321 4.453 1.00 0.00 C ATOM 1318 CG TRP A 82 8.365 9.180 4.584 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.704 9.264 4.835 1.00 0.00 C ATOM 1320 CD2 TRP A 82 8.063 7.785 4.470 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.254 8.005 4.886 1.00 0.00 N ATOM 1322 CE2 TRP A 82 9.267 7.080 4.664 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.893 7.062 4.223 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 9.332 5.691 4.619 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 6.958 5.683 4.179 1.00 0.00 C ATOM 1326 CH2 TRP A 82 8.170 5.009 4.376 1.00 0.00 C ATOM 0 H TRP A 82 5.381 11.709 4.144 1.00 0.00 H new ATOM 0 HA TRP A 82 5.805 9.142 5.272 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.092 10.407 3.412 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.913 11.249 4.711 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.251 10.185 4.973 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.236 7.794 5.061 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.954 7.573 4.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.266 5.169 4.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.059 5.115 3.990 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.188 3.930 4.335 1.00 0.00 H new ATOM 1337 N GLU A 83 6.470 11.751 7.148 1.00 0.00 N ATOM 1338 CA GLU A 83 6.785 12.172 8.508 1.00 0.00 C ATOM 1339 C GLU A 83 5.853 11.506 9.513 1.00 0.00 C ATOM 1340 O GLU A 83 6.242 11.228 10.648 1.00 0.00 O ATOM 1341 CB GLU A 83 6.684 13.694 8.628 1.00 0.00 C ATOM 1342 CG GLU A 83 7.749 14.307 9.524 1.00 0.00 C ATOM 1343 CD GLU A 83 7.207 14.711 10.881 1.00 0.00 C ATOM 1344 OE1 GLU A 83 6.089 15.265 10.933 1.00 0.00 O ATOM 1345 OE2 GLU A 83 7.901 14.474 11.892 1.00 0.00 O ATOM 0 H GLU A 83 6.218 12.513 6.518 1.00 0.00 H new ATOM 0 HA GLU A 83 7.807 11.864 8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.760 14.134 7.634 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.700 13.955 9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.560 13.592 9.659 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.174 15.182 9.031 1.00 0.00 H new ATOM 1352 N VAL A 84 4.619 11.254 9.090 1.00 0.00 N ATOM 1353 CA VAL A 84 3.629 10.619 9.953 1.00 0.00 C ATOM 1354 C VAL A 84 3.754 9.100 9.909 1.00 0.00 C ATOM 1355 O VAL A 84 3.618 8.426 10.930 1.00 0.00 O ATOM 1356 CB VAL A 84 2.196 11.017 9.554 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.194 10.512 10.580 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.086 12.525 9.388 1.00 0.00 C ATOM 0 H VAL A 84 4.280 11.480 8.155 1.00 0.00 H new ATOM 0 HA VAL A 84 3.825 10.968 10.967 1.00 0.00 H new ATOM 0 HB VAL A 84 1.965 10.551 8.596 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.188 10.804 10.280 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.254 9.425 10.643 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.422 10.944 11.554 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.066 12.787 9.106 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.339 13.014 10.329 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.774 12.857 8.610 1.00 0.00 H new ATOM 1368 N VAL A 85 4.013 8.567 8.720 1.00 0.00 N ATOM 1369 CA VAL A 85 4.155 7.127 8.540 1.00 0.00 C ATOM 1370 C VAL A 85 5.453 6.621 9.161 1.00 0.00 C ATOM 1371 O VAL A 85 5.517 5.501 9.667 1.00 0.00 O ATOM 1372 CB VAL A 85 4.127 6.739 7.049 1.00 0.00 C ATOM 1373 CG1 VAL A 85 4.085 5.227 6.891 1.00 0.00 C ATOM 1374 CG2 VAL A 85 2.946 7.394 6.347 1.00 0.00 C ATOM 0 H VAL A 85 4.129 9.112 7.865 1.00 0.00 H new ATOM 0 HA VAL A 85 3.308 6.662 9.044 1.00 0.00 H new ATOM 0 HB VAL A 85 5.042 7.102 6.580 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.066 4.972 5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.969 4.788 7.354 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.190 4.835 7.375 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.944 7.108 5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.017 7.066 6.814 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.030 8.478 6.428 1.00 0.00 H new ATOM 1384 N ARG A 86 6.487 7.455 9.119 1.00 0.00 N ATOM 1385 CA ARG A 86 7.785 7.093 9.675 1.00 0.00 C ATOM 1386 C ARG A 86 7.742 7.068 11.203 1.00 0.00 C ATOM 1387 O ARG A 86 8.614 6.482 11.845 1.00 0.00 O ATOM 1388 CB ARG A 86 8.857 8.076 9.201 1.00 0.00 C ATOM 1389 CG ARG A 86 10.260 7.492 9.198 1.00 0.00 C ATOM 1390 CD ARG A 86 11.099 8.064 8.065 1.00 0.00 C ATOM 1391 NE ARG A 86 12.158 8.943 8.557 1.00 0.00 N ATOM 1392 CZ ARG A 86 11.959 10.207 8.926 1.00 0.00 C ATOM 1393 NH1 ARG A 86 10.747 10.743 8.860 1.00 0.00 N ATOM 1394 NH2 ARG A 86 12.977 10.937 9.362 1.00 0.00 N ATOM 0 H ARG A 86 6.451 8.387 8.705 1.00 0.00 H new ATOM 0 HA ARG A 86 8.034 6.092 9.322 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.610 8.412 8.194 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.840 8.956 9.844 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.744 7.701 10.152 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.204 6.408 9.099 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.542 7.248 7.494 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.456 8.619 7.382 1.00 0.00 H new ATOM 0 HE ARG A 86 13.104 8.567 8.621 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.961 10.186 8.525 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.602 11.712 9.144 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.911 10.530 9.414 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.826 11.905 9.645 1.00 0.00 H new ATOM 1408 N GLY A 87 6.729 7.707 11.780 1.00 0.00 N ATOM 1409 CA GLY A 87 6.603 7.743 13.226 1.00 0.00 C ATOM 1410 C GLY A 87 5.444 6.909 13.742 1.00 0.00 C ATOM 1411 O GLY A 87 5.261 6.781 14.954 1.00 0.00 O ATOM 0 H GLY A 87 5.994 8.200 11.273 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.529 7.385 13.675 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.472 8.776 13.548 1.00 0.00 H new ATOM 1415 N THR A 88 4.659 6.339 12.832 1.00 0.00 N ATOM 1416 CA THR A 88 3.516 5.518 13.222 1.00 0.00 C ATOM 1417 C THR A 88 3.982 4.189 13.817 1.00 0.00 C ATOM 1418 O THR A 88 4.851 3.521 13.257 1.00 0.00 O ATOM 1419 CB THR A 88 2.609 5.262 12.018 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.351 5.286 10.814 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.490 6.275 11.888 1.00 0.00 C ATOM 0 H THR A 88 4.792 6.429 11.825 1.00 0.00 H new ATOM 0 HA THR A 88 2.952 6.060 13.981 1.00 0.00 H new ATOM 0 HB THR A 88 2.172 4.279 12.190 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.216 4.848 10.954 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.883 6.037 11.014 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.867 6.245 12.782 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.914 7.273 11.774 1.00 0.00 H new ATOM 1429 N PRO A 89 3.409 3.783 14.966 1.00 0.00 N ATOM 1430 CA PRO A 89 3.775 2.527 15.629 1.00 0.00 C ATOM 1431 C PRO A 89 3.670 1.327 14.694 1.00 0.00 C ATOM 1432 O PRO A 89 2.603 1.038 14.154 1.00 0.00 O ATOM 1433 CB PRO A 89 2.755 2.408 16.764 1.00 0.00 C ATOM 1434 CG PRO A 89 2.317 3.806 17.033 1.00 0.00 C ATOM 1435 CD PRO A 89 2.363 4.515 15.708 1.00 0.00 C ATOM 0 HA PRO A 89 4.810 2.536 15.969 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.913 1.779 16.474 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.201 1.956 17.650 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.311 3.826 17.452 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.974 4.288 17.757 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.402 4.472 15.196 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.616 5.569 15.824 1.00 0.00 H new ATOM 1443 N GLY A 90 4.786 0.627 14.510 1.00 0.00 N ATOM 1444 CA GLY A 90 4.798 -0.534 13.641 1.00 0.00 C ATOM 1445 C GLY A 90 5.839 -0.430 12.545 1.00 0.00 C ATOM 1446 O GLY A 90 6.368 -1.441 12.082 1.00 0.00 O ATOM 0 H GLY A 90 5.681 0.844 14.948 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.990 -1.427 14.236 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.813 -0.657 13.191 1.00 0.00 H new ATOM 1450 N ILE A 91 6.137 0.796 12.128 1.00 0.00 N ATOM 1451 CA ILE A 91 7.122 1.030 11.079 1.00 0.00 C ATOM 1452 C ILE A 91 8.541 0.960 11.635 1.00 0.00 C ATOM 1453 O ILE A 91 8.932 1.775 12.471 1.00 0.00 O ATOM 1454 CB ILE A 91 6.906 2.399 10.402 1.00 0.00 C ATOM 1455 CG1 ILE A 91 7.843 2.556 9.203 1.00 0.00 C ATOM 1456 CG2 ILE A 91 7.116 3.529 11.401 1.00 0.00 C ATOM 1457 CD1 ILE A 91 7.257 2.040 7.906 1.00 0.00 C ATOM 0 H ILE A 91 5.710 1.644 12.501 1.00 0.00 H new ATOM 0 HA ILE A 91 6.990 0.244 10.335 1.00 0.00 H new ATOM 0 HB ILE A 91 5.878 2.449 10.043 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.095 3.610 9.085 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.774 2.027 9.408 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.959 4.487 10.905 1.00 0.00 H new ATOM 0 HG22 ILE A 91 6.407 3.425 12.222 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.133 3.485 11.792 1.00 0.00 H new ATOM 0 HD11 ILE A 91 7.976 2.184 7.099 1.00 0.00 H new ATOM 0 HD12 ILE A 91 7.031 0.978 8.006 1.00 0.00 H new ATOM 0 HD13 ILE A 91 6.342 2.586 7.678 1.00 0.00 H new ATOM 1567 N ARG A 100 14.359 3.389 1.973 1.00 0.00 N ATOM 1568 CA ARG A 100 13.281 4.056 1.253 1.00 0.00 C ATOM 1569 C ARG A 100 12.191 3.063 0.858 1.00 0.00 C ATOM 1570 O ARG A 100 12.456 1.873 0.688 1.00 0.00 O ATOM 1571 CB ARG A 100 13.828 4.756 0.006 1.00 0.00 C ATOM 1572 CG ARG A 100 14.386 3.800 -1.036 1.00 0.00 C ATOM 1573 CD ARG A 100 15.480 4.454 -1.866 1.00 0.00 C ATOM 1574 NE ARG A 100 15.357 4.129 -3.285 1.00 0.00 N ATOM 1575 CZ ARG A 100 15.931 4.833 -4.258 1.00 0.00 C ATOM 1576 NH1 ARG A 100 16.668 5.899 -3.971 1.00 0.00 N ATOM 1577 NH2 ARG A 100 15.771 4.468 -5.523 1.00 0.00 N ATOM 0 HA ARG A 100 12.843 4.801 1.917 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.032 5.348 -0.446 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.612 5.452 0.305 1.00 0.00 H new ATOM 0 HG2 ARG A 100 14.784 2.914 -0.542 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.582 3.465 -1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 100 15.436 5.535 -1.736 1.00 0.00 H new ATOM 0 HD3 ARG A 100 16.455 4.129 -1.502 1.00 0.00 H new ATOM 0 HE ARG A 100 14.799 3.316 -3.545 1.00 0.00 H new ATOM 0 HH11 ARG A 100 16.797 6.183 -3.000 1.00 0.00 H new ATOM 0 HH12 ARG A 100 17.105 6.434 -4.721 1.00 0.00 H new ATOM 0 HH21 ARG A 100 15.208 3.648 -5.750 1.00 0.00 H new ATOM 0 HH22 ARG A 100 16.211 5.007 -6.269 1.00 0.00 H new ATOM 1591 N PRO A 101 10.944 3.541 0.706 1.00 0.00 N ATOM 1592 CA PRO A 101 9.811 2.689 0.329 1.00 0.00 C ATOM 1593 C PRO A 101 10.080 1.900 -0.949 1.00 0.00 C ATOM 1594 O PRO A 101 11.106 2.089 -1.603 1.00 0.00 O ATOM 1595 CB PRO A 101 8.669 3.687 0.112 1.00 0.00 C ATOM 1596 CG PRO A 101 9.042 4.873 0.930 1.00 0.00 C ATOM 1597 CD PRO A 101 10.542 4.948 0.888 1.00 0.00 C ATOM 0 HA PRO A 101 9.597 1.937 1.088 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.567 3.949 -0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 101 7.713 3.271 0.431 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.594 5.782 0.527 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.685 4.769 1.955 1.00 0.00 H new ATOM 0 HD2 PRO A 101 10.891 5.576 0.068 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.950 5.368 1.807 1.00 0.00 H new ATOM 1605 N VAL A 102 9.152 1.015 -1.299 1.00 0.00 N ATOM 1606 CA VAL A 102 9.289 0.197 -2.497 1.00 0.00 C ATOM 1607 C VAL A 102 7.959 0.071 -3.235 1.00 0.00 C ATOM 1608 O VAL A 102 7.148 -0.802 -2.924 1.00 0.00 O ATOM 1609 CB VAL A 102 9.807 -1.214 -2.159 1.00 0.00 C ATOM 1610 CG1 VAL A 102 11.271 -1.163 -1.748 1.00 0.00 C ATOM 1611 CG2 VAL A 102 8.961 -1.844 -1.063 1.00 0.00 C ATOM 0 H VAL A 102 8.297 0.847 -0.769 1.00 0.00 H new ATOM 0 HA VAL A 102 10.013 0.700 -3.139 1.00 0.00 H new ATOM 0 HB VAL A 102 9.726 -1.834 -3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 102 11.618 -2.169 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.865 -0.756 -2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.380 -0.527 -0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.341 -2.840 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.008 -1.226 -0.166 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.927 -1.918 -1.399 1.00 0.00 H new ATOM 1621 N PRO A 103 7.714 0.944 -4.229 1.00 0.00 N ATOM 1622 CA PRO A 103 6.473 0.925 -5.007 1.00 0.00 C ATOM 1623 C PRO A 103 6.425 -0.236 -5.998 1.00 0.00 C ATOM 1624 O PRO A 103 7.372 -0.462 -6.750 1.00 0.00 O ATOM 1625 CB PRO A 103 6.506 2.260 -5.752 1.00 0.00 C ATOM 1626 CG PRO A 103 7.954 2.573 -5.897 1.00 0.00 C ATOM 1627 CD PRO A 103 8.626 2.019 -4.668 1.00 0.00 C ATOM 0 HA PRO A 103 5.596 0.793 -4.373 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.018 2.184 -6.723 1.00 0.00 H new ATOM 0 HB3 PRO A 103 5.986 3.039 -5.194 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.362 2.121 -6.801 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.114 3.648 -5.978 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.620 1.634 -4.894 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.747 2.782 -3.899 1.00 0.00 H new ATOM 1635 N LEU A 104 5.315 -0.967 -5.992 1.00 0.00 N ATOM 1636 CA LEU A 104 5.144 -2.103 -6.891 1.00 0.00 C ATOM 1637 C LEU A 104 4.765 -1.635 -8.293 1.00 0.00 C ATOM 1638 O LEU A 104 4.327 -0.499 -8.481 1.00 0.00 O ATOM 1639 CB LEU A 104 4.072 -3.052 -6.350 1.00 0.00 C ATOM 1640 CG LEU A 104 4.252 -3.467 -4.890 1.00 0.00 C ATOM 1641 CD1 LEU A 104 3.519 -2.505 -3.967 1.00 0.00 C ATOM 1642 CD2 LEU A 104 3.759 -4.891 -4.676 1.00 0.00 C ATOM 0 H LEU A 104 4.521 -0.793 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 104 6.094 -2.635 -6.949 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.098 -2.575 -6.459 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.058 -3.950 -6.968 1.00 0.00 H new ATOM 0 HG LEU A 104 5.315 -3.430 -4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.659 -2.816 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.917 -1.499 -4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.456 -2.509 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.895 -5.170 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.702 -4.953 -4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.327 -5.572 -5.310 1.00 0.00 H new ATOM 1654 N SER A 105 4.937 -2.515 -9.274 1.00 0.00 N ATOM 1655 CA SER A 105 4.612 -2.191 -10.659 1.00 0.00 C ATOM 1656 C SER A 105 3.158 -2.530 -10.971 1.00 0.00 C ATOM 1657 O SER A 105 2.552 -3.373 -10.309 1.00 0.00 O ATOM 1658 CB SER A 105 5.540 -2.947 -11.613 1.00 0.00 C ATOM 1659 OG SER A 105 6.747 -3.313 -10.969 1.00 0.00 O ATOM 0 H SER A 105 5.300 -3.458 -9.136 1.00 0.00 H new ATOM 0 HA SER A 105 4.754 -1.119 -10.798 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.037 -3.840 -11.983 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.761 -2.324 -12.480 1.00 0.00 H new ATOM 0 HG SER A 105 6.764 -4.283 -10.833 1.00 0.00 H new ATOM 1665 N PRO A 106 2.574 -1.876 -11.992 1.00 0.00 N ATOM 1666 CA PRO A 106 1.183 -2.115 -12.392 1.00 0.00 C ATOM 1667 C PRO A 106 0.928 -3.574 -12.752 1.00 0.00 C ATOM 1668 O PRO A 106 -0.177 -4.085 -12.569 1.00 0.00 O ATOM 1669 CB PRO A 106 0.994 -1.216 -13.623 1.00 0.00 C ATOM 1670 CG PRO A 106 2.373 -0.873 -14.076 1.00 0.00 C ATOM 1671 CD PRO A 106 3.221 -0.864 -12.838 1.00 0.00 C ATOM 0 HA PRO A 106 0.487 -1.894 -11.583 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.440 -1.733 -14.406 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.428 -0.319 -13.372 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.741 -1.604 -14.796 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.392 0.099 -14.570 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.257 -1.122 -13.056 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.230 0.116 -12.361 1.00 0.00 H new ATOM 1679 N ASP A 107 1.957 -4.240 -13.264 1.00 0.00 N ATOM 1680 CA ASP A 107 1.845 -5.642 -13.647 1.00 0.00 C ATOM 1681 C ASP A 107 1.741 -6.536 -12.415 1.00 0.00 C ATOM 1682 O ASP A 107 1.137 -7.608 -12.464 1.00 0.00 O ATOM 1683 CB ASP A 107 3.049 -6.059 -14.493 1.00 0.00 C ATOM 1684 CG ASP A 107 3.141 -5.282 -15.792 1.00 0.00 C ATOM 1685 OD1 ASP A 107 2.083 -4.866 -16.311 1.00 0.00 O ATOM 1686 OD2 ASP A 107 4.270 -5.085 -16.288 1.00 0.00 O ATOM 0 H ASP A 107 2.878 -3.831 -13.423 1.00 0.00 H new ATOM 0 HA ASP A 107 0.936 -5.760 -14.237 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.963 -5.909 -13.918 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.983 -7.124 -14.714 1.00 0.00 H new ATOM 1691 N GLU A 108 2.336 -6.088 -11.314 1.00 0.00 N ATOM 1692 CA GLU A 108 2.312 -6.849 -10.070 1.00 0.00 C ATOM 1693 C GLU A 108 1.159 -6.401 -9.178 1.00 0.00 C ATOM 1694 O GLU A 108 0.520 -7.219 -8.515 1.00 0.00 O ATOM 1695 CB GLU A 108 3.639 -6.691 -9.326 1.00 0.00 C ATOM 1696 CG GLU A 108 4.830 -7.264 -10.076 1.00 0.00 C ATOM 1697 CD GLU A 108 6.148 -6.677 -9.614 1.00 0.00 C ATOM 1698 OE1 GLU A 108 6.252 -6.316 -8.422 1.00 0.00 O ATOM 1699 OE2 GLU A 108 7.078 -6.580 -10.442 1.00 0.00 O ATOM 0 H GLU A 108 2.840 -5.203 -11.258 1.00 0.00 H new ATOM 0 HA GLU A 108 2.166 -7.900 -10.320 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.815 -5.632 -9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.562 -7.181 -8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.852 -8.346 -9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.707 -7.076 -11.143 1.00 0.00 H new ATOM 1706 N VAL A 109 0.897 -5.097 -9.164 1.00 0.00 N ATOM 1707 CA VAL A 109 -0.179 -4.544 -8.351 1.00 0.00 C ATOM 1708 C VAL A 109 -1.526 -5.153 -8.728 1.00 0.00 C ATOM 1709 O VAL A 109 -2.384 -5.366 -7.872 1.00 0.00 O ATOM 1710 CB VAL A 109 -0.262 -3.011 -8.495 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -1.309 -2.438 -7.549 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.097 -2.374 -8.242 1.00 0.00 C ATOM 0 H VAL A 109 1.415 -4.405 -9.706 1.00 0.00 H new ATOM 0 HA VAL A 109 0.050 -4.793 -7.315 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.563 -2.780 -9.517 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.352 -1.355 -7.666 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.284 -2.867 -7.782 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.042 -2.681 -6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.017 -1.292 -8.348 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.430 -2.616 -7.233 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.818 -2.757 -8.964 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.707 -5.432 -10.013 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.951 -6.017 -10.496 1.00 0.00 C ATOM 1724 C ARG A 110 -3.171 -7.403 -9.898 1.00 0.00 C ATOM 1725 O ARG A 110 -4.305 -7.868 -9.782 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.943 -6.100 -12.024 1.00 0.00 C ATOM 1727 CG ARG A 110 -4.263 -5.700 -12.662 1.00 0.00 C ATOM 1728 CD ARG A 110 -4.454 -4.192 -12.650 1.00 0.00 C ATOM 1729 NE ARG A 110 -5.015 -3.702 -13.907 1.00 0.00 N ATOM 1730 CZ ARG A 110 -4.960 -2.432 -14.299 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -4.369 -1.521 -13.537 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -5.497 -2.071 -15.457 1.00 0.00 N ATOM 0 H ARG A 110 -1.010 -5.263 -10.738 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.772 -5.373 -10.180 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.153 -5.456 -12.410 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.699 -7.119 -12.323 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.297 -6.064 -13.689 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.085 -6.176 -12.128 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -5.113 -3.916 -11.827 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.495 -3.706 -12.467 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.476 -4.374 -14.520 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.954 -1.793 -12.646 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.330 -0.549 -13.842 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.952 -2.767 -16.047 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.455 -1.097 -15.757 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.079 -8.060 -9.516 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.159 -9.391 -8.928 1.00 0.00 C ATOM 1748 C HIS A 111 -2.533 -9.313 -7.451 1.00 0.00 C ATOM 1749 O HIS A 111 -3.335 -10.108 -6.963 1.00 0.00 O ATOM 1750 CB HIS A 111 -0.825 -10.124 -9.094 1.00 0.00 C ATOM 1751 CG HIS A 111 -0.864 -11.206 -10.128 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -1.988 -11.964 -10.381 1.00 0.00 N ATOM 1753 CD2 HIS A 111 0.091 -11.656 -10.975 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -1.721 -12.834 -11.340 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -0.468 -12.668 -11.717 1.00 0.00 N ATOM 0 H HIS A 111 -1.132 -7.692 -9.603 1.00 0.00 H new ATOM 0 HA HIS A 111 -2.938 -9.947 -9.450 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.054 -9.402 -9.363 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -0.536 -10.557 -8.137 1.00 0.00 H new ATOM 0 HD2 HIS A 111 1.103 -11.288 -11.053 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.412 -13.558 -11.746 1.00 0.00 H new ATOM 0 HE2 HIS A 111 0.009 -13.204 -12.442 1.00 0.00 H new ATOM 1764 N ILE A 112 -1.949 -8.351 -6.746 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.227 -8.175 -5.326 1.00 0.00 C ATOM 1766 C ILE A 112 -3.587 -7.515 -5.107 1.00 0.00 C ATOM 1767 O ILE A 112 -4.183 -7.645 -4.037 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.125 -7.345 -4.630 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.225 -5.864 -5.014 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.249 -7.894 -4.983 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -0.143 -5.004 -4.396 1.00 0.00 C ATOM 0 H ILE A 112 -1.282 -7.683 -7.133 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.243 -9.170 -4.880 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.269 -7.423 -3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -1.174 -5.774 -6.099 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.199 -5.483 -4.708 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.017 -7.300 -4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.322 -8.931 -4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.394 -7.845 -6.062 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.276 -3.969 -4.711 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.207 -5.064 -3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.835 -5.359 -4.722 1.00 0.00 H new ATOM 1783 N LEU A 113 -4.075 -6.814 -6.126 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.368 -6.143 -6.044 1.00 0.00 C ATOM 1785 C LEU A 113 -6.500 -7.109 -6.375 1.00 0.00 C ATOM 1786 O LEU A 113 -7.614 -6.974 -5.869 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.408 -4.946 -6.994 1.00 0.00 C ATOM 1788 CG LEU A 113 -4.521 -3.769 -6.588 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.452 -2.743 -7.708 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -5.036 -3.130 -5.306 1.00 0.00 C ATOM 0 H LEU A 113 -3.595 -6.696 -7.018 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.502 -5.788 -5.022 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -5.110 -5.280 -7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.438 -4.596 -7.070 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.514 -4.143 -6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.816 -1.912 -7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.036 -3.208 -8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.454 -2.373 -7.924 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.392 -2.294 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.053 -2.769 -5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.032 -3.869 -4.504 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.207 -8.086 -7.229 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.201 -9.076 -7.627 1.00 0.00 C ATOM 1804 C GLU A 114 -7.446 -10.079 -6.506 1.00 0.00 C ATOM 1805 O GLU A 114 -8.550 -10.606 -6.359 1.00 0.00 O ATOM 1806 CB GLU A 114 -6.745 -9.808 -8.890 1.00 0.00 C ATOM 1807 CG GLU A 114 -7.893 -10.345 -9.729 1.00 0.00 C ATOM 1808 CD GLU A 114 -7.813 -11.847 -9.935 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -6.830 -12.309 -10.553 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -8.730 -12.558 -9.478 1.00 0.00 O ATOM 0 H GLU A 114 -5.290 -8.213 -7.658 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.135 -8.554 -7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.148 -9.129 -9.498 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.095 -10.636 -8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.838 -10.098 -9.245 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.892 -9.848 -10.699 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.411 -10.337 -5.713 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.513 -11.277 -4.603 1.00 0.00 C ATOM 1819 C VAL A 115 -7.240 -10.645 -3.421 1.00 0.00 C ATOM 1820 O VAL A 115 -8.026 -11.304 -2.739 1.00 0.00 O ATOM 1821 CB VAL A 115 -5.124 -11.756 -4.138 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -5.258 -12.862 -3.104 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -4.291 -12.222 -5.324 1.00 0.00 C ATOM 0 H VAL A 115 -5.492 -9.908 -5.819 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.080 -12.135 -4.965 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.610 -10.915 -3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.267 -13.187 -2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.810 -12.489 -2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.794 -13.705 -3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.314 -12.556 -4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.799 -13.047 -5.824 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.163 -11.397 -6.025 1.00 0.00 H new ATOM 1833 N SER A 116 -6.973 -9.365 -3.184 1.00 0.00 N ATOM 1834 CA SER A 116 -7.601 -8.643 -2.083 1.00 0.00 C ATOM 1835 C SER A 116 -9.109 -8.535 -2.296 1.00 0.00 C ATOM 1836 O SER A 116 -9.895 -9.012 -1.478 1.00 0.00 O ATOM 1837 CB SER A 116 -6.990 -7.247 -1.946 1.00 0.00 C ATOM 1838 OG SER A 116 -6.775 -6.916 -0.584 1.00 0.00 O ATOM 0 H SER A 116 -6.326 -8.806 -3.740 1.00 0.00 H new ATOM 0 HA SER A 116 -7.421 -9.201 -1.164 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.045 -7.205 -2.487 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.651 -6.511 -2.403 1.00 0.00 H new ATOM 0 HG SER A 116 -5.961 -7.359 -0.264 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.503 -7.906 -3.398 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.915 -7.750 -3.696 1.00 0.00 C ATOM 1846 C GLY A 117 -11.212 -6.480 -4.470 1.00 0.00 C ATOM 1847 O GLY A 117 -12.014 -5.655 -4.036 1.00 0.00 O ATOM 0 H GLY A 117 -8.871 -7.502 -4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.258 -8.610 -4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.480 -7.744 -2.764 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.565 -6.324 -5.620 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.767 -5.146 -6.456 1.00 0.00 C ATOM 1853 C LEU A 118 -11.101 -5.544 -7.890 1.00 0.00 C ATOM 1854 O LEU A 118 -12.169 -5.211 -8.404 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.517 -4.260 -6.441 1.00 0.00 C ATOM 1856 CG LEU A 118 -9.104 -3.739 -5.062 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.990 -2.713 -5.194 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -10.298 -3.139 -4.333 1.00 0.00 C ATOM 0 H LEU A 118 -9.897 -6.998 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.608 -4.585 -6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.686 -4.825 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.688 -3.407 -7.098 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.733 -4.580 -4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.708 -2.353 -4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.126 -3.174 -5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.336 -1.876 -5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.982 -2.775 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.701 -2.311 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -11.067 -3.901 -4.205 1.00 0.00 H new ATOM 1870 N LEU A 119 -10.180 -6.257 -8.531 1.00 0.00 N ATOM 1871 CA LEU A 119 -10.378 -6.701 -9.905 1.00 0.00 C ATOM 1872 C LEU A 119 -11.267 -7.940 -9.955 1.00 0.00 C ATOM 1873 O LEU A 119 -12.055 -8.114 -10.884 1.00 0.00 O ATOM 1874 CB LEU A 119 -9.029 -6.993 -10.568 1.00 0.00 C ATOM 1875 CG LEU A 119 -8.690 -6.105 -11.767 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -7.791 -4.954 -11.342 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -8.029 -6.921 -12.868 1.00 0.00 C ATOM 0 H LEU A 119 -9.290 -6.539 -8.121 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.876 -5.900 -10.452 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.243 -6.884 -9.821 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.018 -8.034 -10.892 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.618 -5.689 -12.159 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.561 -4.333 -12.208 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.301 -4.352 -10.590 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.866 -5.350 -10.923 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.796 -6.272 -13.712 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.110 -7.367 -12.488 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.707 -7.710 -13.194 1.00 0.00 H new ATOM 1889 N GLY A 120 -11.135 -8.797 -8.948 1.00 0.00 N ATOM 1890 CA GLY A 120 -11.932 -10.008 -8.896 1.00 0.00 C ATOM 1891 C GLY A 120 -13.211 -9.828 -8.102 1.00 0.00 C ATOM 1892 O GLY A 120 -13.247 -10.255 -6.929 1.00 0.00 O ATOM 1893 OXT GLY A 120 -14.177 -9.259 -8.653 1.00 0.00 O ATOM 0 H GLY A 120 -10.490 -8.674 -8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -12.179 -10.320 -9.911 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -11.342 -10.809 -8.451 1.00 0.00 H new