USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 957 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 47 THR OG1 : rot 108:sc= -1.89 USER MOD Set 1.2: A 73 HIS : no HE2:sc= -20.3! C(o=-22!,f=-26!) USER MOD Set 2.1: A 37 ASN : amide:sc= -3.21! C(o=-13!,f=-13!) USER MOD Set 2.2: A 68 GLN : amide:sc= -10.2! C(o=-13!,f=-18!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0191) USER MOD Single : A 2 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.5!) USER MOD Single : A 13 SER OG : rot -60:sc= 1.29 USER MOD Single : A 14 SER OG : rot 101:sc= -2.5! USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -100:sc= -1.98! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -120:sc= -7.24! USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -160:sc= -1.23 (180deg=-1.58) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 148:sc= -0.0531 (180deg=-0.654) USER MOD Single : A 70 LYS NZ :NH3+ 145:sc= -2.36! (180deg=-3.1!) USER MOD Single : A 71 GLN : amide:sc= -0.065 X(o=-0.065,f=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -140:sc= -0.67 (180deg=-2.09!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.425 USER MOD Single : A 84 HIS : no HD1:sc= -0.413 X(o=-0.41,f=-0.21) USER MOD Single : A 85 SER OG : rot 63:sc= 0.441 USER MOD Single : A 92 SER OG : rot 180:sc= -0.152 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 96 GLN : amide:sc= -0.257 K(o=-0.26,f=-2.9!) USER MOD Single : A 101 TYR OH : rot 180:sc= -0.552 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= -0.0479 USER MOD Single : A 121 HIS : no HD1:sc= -0.53 X(o=-0.53,f=-0.61) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.9 K(o=-0.9,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.349 -18.182 -14.228 1.00 0.00 N ATOM 2 CA MET A 1 -10.354 -17.379 -15.484 1.00 0.00 C ATOM 3 C MET A 1 -10.753 -15.937 -15.169 1.00 0.00 C ATOM 4 O MET A 1 -11.811 -15.678 -14.630 1.00 0.00 O ATOM 5 CB MET A 1 -11.357 -17.980 -16.472 1.00 0.00 C ATOM 6 CG MET A 1 -10.844 -19.337 -16.958 1.00 0.00 C ATOM 7 SD MET A 1 -10.956 -19.415 -18.762 1.00 0.00 S ATOM 8 CE MET A 1 -9.179 -19.354 -19.102 1.00 0.00 C ATOM 0 H1 MET A 1 -9.996 -19.139 -14.429 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.731 -17.726 -13.527 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.316 -18.242 -13.850 1.00 0.00 H new ATOM 0 HA MET A 1 -9.357 -17.392 -15.924 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.329 -18.097 -15.994 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.497 -17.308 -17.319 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.811 -19.482 -16.641 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.430 -20.140 -16.512 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.013 -19.391 -20.179 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.764 -18.429 -18.702 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.689 -20.206 -18.630 1.00 0.00 H new ATOM 20 N GLN A 2 -9.914 -14.995 -15.502 1.00 0.00 N ATOM 21 CA GLN A 2 -10.245 -13.569 -15.225 1.00 0.00 C ATOM 22 C GLN A 2 -10.242 -13.325 -13.714 1.00 0.00 C ATOM 23 O GLN A 2 -11.264 -13.387 -13.062 1.00 0.00 O ATOM 24 CB GLN A 2 -11.629 -13.248 -15.793 1.00 0.00 C ATOM 25 CG GLN A 2 -11.614 -11.846 -16.403 1.00 0.00 C ATOM 26 CD GLN A 2 -12.107 -11.912 -17.850 1.00 0.00 C ATOM 27 OE1 GLN A 2 -12.889 -12.775 -18.199 1.00 0.00 O ATOM 28 NE2 GLN A 2 -11.680 -11.031 -18.712 1.00 0.00 N ATOM 0 H GLN A 2 -9.013 -15.151 -15.954 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.501 -12.926 -15.695 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -11.903 -13.983 -16.550 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.380 -13.306 -15.005 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.250 -11.178 -15.821 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.605 -11.435 -16.370 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.024 -10.307 -18.419 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.002 -11.066 -19.679 1.00 0.00 H new ATOM 37 N ARG A 3 -9.097 -13.041 -13.153 1.00 0.00 N ATOM 38 CA ARG A 3 -9.027 -12.787 -11.687 1.00 0.00 C ATOM 39 C ARG A 3 -7.643 -12.240 -11.330 1.00 0.00 C ATOM 40 O ARG A 3 -6.649 -12.608 -11.924 1.00 0.00 O ATOM 41 CB ARG A 3 -9.272 -14.092 -10.928 1.00 0.00 C ATOM 42 CG ARG A 3 -8.360 -15.187 -11.483 1.00 0.00 C ATOM 43 CD ARG A 3 -7.197 -15.422 -10.518 1.00 0.00 C ATOM 44 NE ARG A 3 -7.724 -15.563 -9.131 1.00 0.00 N ATOM 45 CZ ARG A 3 -8.652 -16.443 -8.871 1.00 0.00 C ATOM 46 NH1 ARG A 3 -8.351 -17.712 -8.818 1.00 0.00 N ATOM 47 NH2 ARG A 3 -9.879 -16.053 -8.662 1.00 0.00 N ATOM 0 H ARG A 3 -8.208 -12.974 -13.648 1.00 0.00 H new ATOM 0 HA ARG A 3 -9.789 -12.059 -11.409 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -9.079 -13.948 -9.865 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.316 -14.390 -11.025 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.924 -16.109 -11.620 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.980 -14.897 -12.463 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.649 -16.320 -10.803 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.494 -14.590 -10.569 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.359 -14.971 -8.385 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.391 -18.016 -8.980 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.076 -18.400 -8.615 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.113 -15.061 -8.702 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.605 -16.740 -8.459 1.00 0.00 H new ATOM 61 N GLY A 4 -7.568 -11.363 -10.364 1.00 0.00 N ATOM 62 CA GLY A 4 -6.244 -10.798 -9.977 1.00 0.00 C ATOM 63 C GLY A 4 -6.422 -9.777 -8.851 1.00 0.00 C ATOM 64 O GLY A 4 -7.376 -9.023 -8.826 1.00 0.00 O ATOM 0 H GLY A 4 -8.363 -11.015 -9.829 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.578 -11.598 -9.652 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.775 -10.323 -10.839 1.00 0.00 H new ATOM 68 N ILE A 5 -5.509 -9.751 -7.918 1.00 0.00 N ATOM 69 CA ILE A 5 -5.617 -8.783 -6.790 1.00 0.00 C ATOM 70 C ILE A 5 -4.612 -7.640 -6.990 1.00 0.00 C ATOM 71 O ILE A 5 -3.424 -7.791 -6.759 1.00 0.00 O ATOM 72 CB ILE A 5 -5.314 -9.496 -5.473 1.00 0.00 C ATOM 73 CG1 ILE A 5 -6.340 -10.609 -5.236 1.00 0.00 C ATOM 74 CG2 ILE A 5 -5.385 -8.491 -4.321 1.00 0.00 C ATOM 75 CD1 ILE A 5 -5.854 -11.908 -5.884 1.00 0.00 C ATOM 0 H ILE A 5 -4.691 -10.360 -7.889 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.628 -8.377 -6.762 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.315 -9.930 -5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.488 -10.758 -4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.305 -10.322 -5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.169 -8.999 -3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.653 -7.700 -4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.384 -8.057 -4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.587 -12.696 -5.713 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.729 -11.755 -6.956 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.899 -12.198 -5.445 1.00 0.00 H new ATOM 87 N VAL A 6 -5.086 -6.496 -7.408 1.00 0.00 N ATOM 88 CA VAL A 6 -4.178 -5.331 -7.616 1.00 0.00 C ATOM 89 C VAL A 6 -4.378 -4.349 -6.446 1.00 0.00 C ATOM 90 O VAL A 6 -5.490 -3.975 -6.130 1.00 0.00 O ATOM 91 CB VAL A 6 -4.520 -4.673 -8.973 1.00 0.00 C ATOM 92 CG1 VAL A 6 -5.026 -3.234 -8.793 1.00 0.00 C ATOM 93 CG2 VAL A 6 -3.267 -4.657 -9.850 1.00 0.00 C ATOM 0 H VAL A 6 -6.069 -6.318 -7.615 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.132 -5.638 -7.639 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.313 -5.255 -9.443 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.256 -2.805 -9.768 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.925 -3.239 -8.177 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.256 -2.636 -8.306 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.500 -4.194 -10.809 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.482 -4.087 -9.353 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.924 -5.679 -10.014 1.00 0.00 H new ATOM 103 N TRP A 7 -3.321 -3.944 -5.790 1.00 0.00 N ATOM 104 CA TRP A 7 -3.483 -3.008 -4.638 1.00 0.00 C ATOM 105 C TRP A 7 -3.135 -1.576 -5.054 1.00 0.00 C ATOM 106 O TRP A 7 -2.048 -1.095 -4.803 1.00 0.00 O ATOM 107 CB TRP A 7 -2.557 -3.437 -3.499 1.00 0.00 C ATOM 108 CG TRP A 7 -3.381 -3.947 -2.364 1.00 0.00 C ATOM 109 CD1 TRP A 7 -4.257 -3.209 -1.646 1.00 0.00 C ATOM 110 CD2 TRP A 7 -3.426 -5.291 -1.809 1.00 0.00 C ATOM 111 NE1 TRP A 7 -4.839 -4.017 -0.687 1.00 0.00 N ATOM 112 CE2 TRP A 7 -4.361 -5.309 -0.748 1.00 0.00 C ATOM 113 CE3 TRP A 7 -2.755 -6.484 -2.124 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -4.621 -6.472 -0.023 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -3.013 -7.657 -1.396 1.00 0.00 C ATOM 116 CH2 TRP A 7 -3.946 -7.651 -0.349 1.00 0.00 C ATOM 0 H TRP A 7 -2.361 -4.218 -6.000 1.00 0.00 H new ATOM 0 HA TRP A 7 -4.522 -3.039 -4.309 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.871 -4.211 -3.843 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -1.948 -2.594 -3.172 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -4.468 -2.161 -1.797 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -5.537 -3.696 -0.016 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.037 -6.499 -2.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.339 -6.461 0.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -2.490 -8.569 -1.644 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.143 -8.557 0.205 1.00 0.00 H new ATOM 127 N VAL A 8 -4.051 -0.883 -5.674 1.00 0.00 N ATOM 128 CA VAL A 8 -3.768 0.522 -6.093 1.00 0.00 C ATOM 129 C VAL A 8 -3.748 1.430 -4.860 1.00 0.00 C ATOM 130 O VAL A 8 -4.472 1.221 -3.911 1.00 0.00 O ATOM 131 CB VAL A 8 -4.863 0.993 -7.052 1.00 0.00 C ATOM 132 CG1 VAL A 8 -4.768 2.508 -7.241 1.00 0.00 C ATOM 133 CG2 VAL A 8 -4.686 0.300 -8.404 1.00 0.00 C ATOM 0 H VAL A 8 -4.982 -1.227 -5.909 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.799 0.566 -6.591 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.839 0.742 -6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.550 2.839 -7.925 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.894 3.003 -6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.792 2.763 -7.655 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.465 0.634 -9.089 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.709 0.551 -8.816 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.758 -0.780 -8.272 1.00 0.00 H new ATOM 143 N VAL A 9 -2.926 2.444 -4.869 1.00 0.00 N ATOM 144 CA VAL A 9 -2.867 3.362 -3.696 1.00 0.00 C ATOM 145 C VAL A 9 -3.840 4.522 -3.911 1.00 0.00 C ATOM 146 O VAL A 9 -3.589 5.415 -4.699 1.00 0.00 O ATOM 147 CB VAL A 9 -1.447 3.909 -3.537 1.00 0.00 C ATOM 148 CG1 VAL A 9 -1.420 4.947 -2.414 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.496 2.762 -3.194 1.00 0.00 C ATOM 0 H VAL A 9 -2.294 2.676 -5.636 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.143 2.815 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.132 4.377 -4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.408 5.336 -2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.098 5.765 -2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.735 4.481 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.516 3.150 -3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.812 2.294 -2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.513 2.023 -3.995 1.00 0.00 H new ATOM 159 N ASP A 10 -4.946 4.506 -3.212 1.00 0.00 N ATOM 160 CA ASP A 10 -5.956 5.595 -3.352 1.00 0.00 C ATOM 161 C ASP A 10 -5.269 6.947 -3.128 1.00 0.00 C ATOM 162 O ASP A 10 -4.106 7.015 -2.784 1.00 0.00 O ATOM 163 CB ASP A 10 -7.087 5.350 -2.326 1.00 0.00 C ATOM 164 CG ASP A 10 -7.598 6.664 -1.708 1.00 0.00 C ATOM 165 OD1 ASP A 10 -6.796 7.390 -1.143 1.00 0.00 O ATOM 166 OD2 ASP A 10 -8.789 6.910 -1.796 1.00 0.00 O ATOM 0 H ASP A 10 -5.194 3.777 -2.543 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.392 5.602 -4.351 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.913 4.833 -2.814 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.723 4.694 -1.535 1.00 0.00 H new ATOM 171 N ASP A 11 -5.979 8.025 -3.329 1.00 0.00 N ATOM 172 CA ASP A 11 -5.359 9.366 -3.137 1.00 0.00 C ATOM 173 C ASP A 11 -6.174 10.189 -2.135 1.00 0.00 C ATOM 174 O ASP A 11 -5.633 10.748 -1.202 1.00 0.00 O ATOM 175 CB ASP A 11 -5.319 10.105 -4.477 1.00 0.00 C ATOM 176 CG ASP A 11 -4.107 11.037 -4.510 1.00 0.00 C ATOM 177 OD1 ASP A 11 -4.182 12.097 -3.910 1.00 0.00 O ATOM 178 OD2 ASP A 11 -3.125 10.676 -5.137 1.00 0.00 O ATOM 0 H ASP A 11 -6.958 8.034 -3.617 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.347 9.234 -2.753 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.263 9.389 -5.297 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.236 10.678 -4.616 1.00 0.00 H new ATOM 183 N ASP A 12 -7.464 10.289 -2.325 1.00 0.00 N ATOM 184 CA ASP A 12 -8.279 11.103 -1.380 1.00 0.00 C ATOM 185 C ASP A 12 -9.775 10.945 -1.659 1.00 0.00 C ATOM 186 O ASP A 12 -10.343 11.659 -2.461 1.00 0.00 O ATOM 187 CB ASP A 12 -7.916 12.570 -1.557 1.00 0.00 C ATOM 188 CG ASP A 12 -7.711 13.221 -0.187 1.00 0.00 C ATOM 189 OD1 ASP A 12 -7.889 12.535 0.805 1.00 0.00 O ATOM 190 OD2 ASP A 12 -7.381 14.395 -0.154 1.00 0.00 O ATOM 0 H ASP A 12 -7.982 9.847 -3.085 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.070 10.761 -0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.008 12.660 -2.153 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.707 13.087 -2.101 1.00 0.00 H new ATOM 195 N SER A 13 -10.425 10.050 -0.974 1.00 0.00 N ATOM 196 CA SER A 13 -11.894 9.878 -1.163 1.00 0.00 C ATOM 197 C SER A 13 -12.242 9.571 -2.625 1.00 0.00 C ATOM 198 O SER A 13 -11.729 10.167 -3.550 1.00 0.00 O ATOM 199 CB SER A 13 -12.605 11.162 -0.743 1.00 0.00 C ATOM 200 OG SER A 13 -12.765 12.001 -1.881 1.00 0.00 O ATOM 0 H SER A 13 -10.002 9.426 -0.287 1.00 0.00 H new ATOM 0 HA SER A 13 -12.219 9.037 -0.550 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.577 10.928 -0.309 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.028 11.677 0.025 1.00 0.00 H new ATOM 0 HG SER A 13 -11.885 12.214 -2.257 1.00 0.00 H new ATOM 206 N SER A 14 -13.141 8.647 -2.815 1.00 0.00 N ATOM 207 CA SER A 14 -13.597 8.260 -4.182 1.00 0.00 C ATOM 208 C SER A 14 -12.444 7.700 -5.017 1.00 0.00 C ATOM 209 O SER A 14 -12.626 7.375 -6.164 1.00 0.00 O ATOM 210 CB SER A 14 -14.188 9.483 -4.883 1.00 0.00 C ATOM 211 OG SER A 14 -14.213 9.255 -6.285 1.00 0.00 O ATOM 0 H SER A 14 -13.591 8.129 -2.060 1.00 0.00 H new ATOM 0 HA SER A 14 -14.353 7.481 -4.083 1.00 0.00 H new ATOM 0 HB2 SER A 14 -15.196 9.675 -4.516 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.593 10.368 -4.658 1.00 0.00 H new ATOM 0 HG SER A 14 -15.119 9.002 -6.559 1.00 0.00 H new ATOM 217 N ILE A 15 -11.269 7.551 -4.472 1.00 0.00 N ATOM 218 CA ILE A 15 -10.173 6.973 -5.306 1.00 0.00 C ATOM 219 C ILE A 15 -10.200 5.444 -5.189 1.00 0.00 C ATOM 220 O ILE A 15 -10.290 4.740 -6.178 1.00 0.00 O ATOM 221 CB ILE A 15 -8.817 7.509 -4.854 1.00 0.00 C ATOM 222 CG1 ILE A 15 -8.800 9.032 -5.017 1.00 0.00 C ATOM 223 CG2 ILE A 15 -7.715 6.895 -5.721 1.00 0.00 C ATOM 224 CD1 ILE A 15 -9.335 9.412 -6.400 1.00 0.00 C ATOM 0 H ILE A 15 -11.021 7.796 -3.513 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.326 7.262 -6.346 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.647 7.248 -3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.409 9.497 -4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.785 9.409 -4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.745 7.276 -5.401 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.731 5.810 -5.616 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.882 7.161 -6.765 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.321 10.496 -6.510 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.708 8.961 -7.169 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.358 9.050 -6.507 1.00 0.00 H new ATOM 236 N ARG A 16 -10.146 4.925 -3.993 1.00 0.00 N ATOM 237 CA ARG A 16 -10.194 3.442 -3.818 1.00 0.00 C ATOM 238 C ARG A 16 -11.548 2.947 -4.346 1.00 0.00 C ATOM 239 O ARG A 16 -11.663 1.896 -4.949 1.00 0.00 O ATOM 240 CB ARG A 16 -10.034 3.122 -2.318 1.00 0.00 C ATOM 241 CG ARG A 16 -10.956 1.970 -1.895 1.00 0.00 C ATOM 242 CD ARG A 16 -10.775 1.694 -0.401 1.00 0.00 C ATOM 243 NE ARG A 16 -12.083 1.855 0.297 1.00 0.00 N ATOM 244 CZ ARG A 16 -12.242 1.383 1.502 1.00 0.00 C ATOM 245 NH1 ARG A 16 -11.390 1.691 2.442 1.00 0.00 N ATOM 246 NH2 ARG A 16 -13.252 0.600 1.768 1.00 0.00 N ATOM 0 H ARG A 16 -10.071 5.462 -3.129 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.394 2.946 -4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.998 2.858 -2.108 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.262 4.009 -1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.995 2.225 -2.105 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.725 1.074 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.392 0.684 -0.251 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.039 2.380 0.020 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.854 2.335 -0.168 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.600 2.301 2.234 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.515 1.322 3.385 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.917 0.357 1.033 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.377 0.231 2.711 1.00 0.00 H new ATOM 260 N TRP A 17 -12.559 3.731 -4.122 1.00 0.00 N ATOM 261 CA TRP A 17 -13.926 3.394 -4.584 1.00 0.00 C ATOM 262 C TRP A 17 -13.969 3.536 -6.090 1.00 0.00 C ATOM 263 O TRP A 17 -14.360 2.630 -6.790 1.00 0.00 O ATOM 264 CB TRP A 17 -14.924 4.381 -3.966 1.00 0.00 C ATOM 265 CG TRP A 17 -14.711 4.432 -2.494 1.00 0.00 C ATOM 266 CD1 TRP A 17 -15.406 3.741 -1.561 1.00 0.00 C ATOM 267 CD2 TRP A 17 -13.731 5.212 -1.783 1.00 0.00 C ATOM 268 NE1 TRP A 17 -14.899 4.059 -0.310 1.00 0.00 N ATOM 269 CE2 TRP A 17 -13.859 4.966 -0.400 1.00 0.00 C ATOM 270 CE3 TRP A 17 -12.750 6.102 -2.219 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -13.030 5.595 0.529 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -11.908 6.742 -1.295 1.00 0.00 C ATOM 273 CH2 TRP A 17 -12.047 6.487 0.080 1.00 0.00 C ATOM 0 H TRP A 17 -12.491 4.618 -3.623 1.00 0.00 H new ATOM 0 HA TRP A 17 -14.183 2.377 -4.288 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -14.790 5.372 -4.400 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -15.945 4.071 -4.188 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -16.219 3.057 -1.757 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -15.249 3.672 0.567 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -12.637 6.301 -3.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -13.145 5.396 1.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -11.152 7.431 -1.642 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -11.397 6.978 0.789 1.00 0.00 H new ATOM 284 N VAL A 18 -13.617 4.693 -6.587 1.00 0.00 N ATOM 285 CA VAL A 18 -13.685 4.914 -8.051 1.00 0.00 C ATOM 286 C VAL A 18 -13.227 3.644 -8.792 1.00 0.00 C ATOM 287 O VAL A 18 -13.969 3.027 -9.540 1.00 0.00 O ATOM 288 CB VAL A 18 -12.795 6.110 -8.449 1.00 0.00 C ATOM 289 CG1 VAL A 18 -12.214 5.914 -9.857 1.00 0.00 C ATOM 290 CG2 VAL A 18 -13.644 7.386 -8.446 1.00 0.00 C ATOM 0 H VAL A 18 -13.287 5.488 -6.040 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.715 5.136 -8.329 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.976 6.186 -7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.590 6.770 -10.116 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.612 5.006 -9.879 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.027 5.827 -10.577 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.023 8.237 -8.726 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.460 7.282 -9.161 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.053 7.548 -7.449 1.00 0.00 H new ATOM 300 N LEU A 19 -11.994 3.259 -8.578 1.00 0.00 N ATOM 301 CA LEU A 19 -11.447 2.045 -9.249 1.00 0.00 C ATOM 302 C LEU A 19 -12.330 0.836 -8.939 1.00 0.00 C ATOM 303 O LEU A 19 -13.004 0.319 -9.805 1.00 0.00 O ATOM 304 CB LEU A 19 -10.029 1.778 -8.738 1.00 0.00 C ATOM 305 CG LEU A 19 -9.014 2.186 -9.806 1.00 0.00 C ATOM 306 CD1 LEU A 19 -9.328 1.457 -11.114 1.00 0.00 C ATOM 307 CD2 LEU A 19 -9.092 3.697 -10.032 1.00 0.00 C ATOM 0 H LEU A 19 -11.339 3.740 -7.961 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.427 2.210 -10.326 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.851 2.338 -7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.912 0.722 -8.495 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.010 1.919 -9.474 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.604 1.748 -11.875 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.272 0.380 -10.953 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.331 1.723 -11.447 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.369 3.989 -10.793 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.095 3.964 -10.364 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.868 4.216 -9.100 1.00 0.00 H new ATOM 319 N GLU A 20 -12.303 0.374 -7.715 1.00 0.00 N ATOM 320 CA GLU A 20 -13.118 -0.819 -7.329 1.00 0.00 C ATOM 321 C GLU A 20 -14.453 -0.820 -8.080 1.00 0.00 C ATOM 322 O GLU A 20 -15.012 -1.858 -8.366 1.00 0.00 O ATOM 323 CB GLU A 20 -13.391 -0.769 -5.824 1.00 0.00 C ATOM 324 CG GLU A 20 -12.800 -2.010 -5.153 1.00 0.00 C ATOM 325 CD GLU A 20 -13.836 -2.624 -4.211 1.00 0.00 C ATOM 326 OE1 GLU A 20 -14.278 -1.927 -3.312 1.00 0.00 O ATOM 327 OE2 GLU A 20 -14.171 -3.782 -4.404 1.00 0.00 O ATOM 0 H GLU A 20 -11.747 0.775 -6.960 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.567 -1.724 -7.585 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.953 0.132 -5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.464 -0.720 -5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.503 -2.738 -5.908 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.901 -1.743 -4.597 1.00 0.00 H new ATOM 334 N ARG A 21 -14.964 0.335 -8.405 1.00 0.00 N ATOM 335 CA ARG A 21 -16.255 0.400 -9.142 1.00 0.00 C ATOM 336 C ARG A 21 -16.036 -0.152 -10.547 1.00 0.00 C ATOM 337 O ARG A 21 -16.686 -1.089 -10.966 1.00 0.00 O ATOM 338 CB ARG A 21 -16.726 1.853 -9.228 1.00 0.00 C ATOM 339 CG ARG A 21 -18.253 1.893 -9.319 1.00 0.00 C ATOM 340 CD ARG A 21 -18.671 2.500 -10.660 1.00 0.00 C ATOM 341 NE ARG A 21 -20.157 2.582 -10.729 1.00 0.00 N ATOM 342 CZ ARG A 21 -20.734 3.064 -11.798 1.00 0.00 C ATOM 343 NH1 ARG A 21 -20.091 3.907 -12.560 1.00 0.00 N ATOM 344 NH2 ARG A 21 -21.950 2.705 -12.103 1.00 0.00 N ATOM 0 H ARG A 21 -14.541 1.238 -8.191 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.013 -0.186 -8.623 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.389 2.408 -8.352 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -16.287 2.337 -10.100 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.660 0.886 -9.221 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -18.661 2.483 -8.498 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -18.236 3.493 -10.773 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -18.292 1.891 -11.481 1.00 0.00 H new ATOM 0 HE ARG A 21 -20.723 2.262 -9.943 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -19.140 4.188 -12.321 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -20.539 4.284 -13.395 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -22.452 2.047 -11.507 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -22.399 3.082 -12.938 1.00 0.00 H new ATOM 358 N ALA A 22 -15.111 0.412 -11.274 1.00 0.00 N ATOM 359 CA ALA A 22 -14.842 -0.099 -12.647 1.00 0.00 C ATOM 360 C ALA A 22 -14.183 -1.480 -12.547 1.00 0.00 C ATOM 361 O ALA A 22 -13.979 -2.156 -13.535 1.00 0.00 O ATOM 362 CB ALA A 22 -13.903 0.864 -13.377 1.00 0.00 C ATOM 0 H ALA A 22 -14.533 1.199 -10.979 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.778 -0.177 -13.200 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.707 0.489 -14.382 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.368 1.848 -13.441 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.964 0.942 -12.829 1.00 0.00 H new ATOM 368 N LEU A 23 -13.852 -1.901 -11.354 1.00 0.00 N ATOM 369 CA LEU A 23 -13.208 -3.231 -11.171 1.00 0.00 C ATOM 370 C LEU A 23 -14.249 -4.235 -10.672 1.00 0.00 C ATOM 371 O LEU A 23 -14.004 -5.426 -10.611 1.00 0.00 O ATOM 372 CB LEU A 23 -12.081 -3.097 -10.149 1.00 0.00 C ATOM 373 CG LEU A 23 -10.741 -3.156 -10.881 1.00 0.00 C ATOM 374 CD1 LEU A 23 -10.583 -4.531 -11.525 1.00 0.00 C ATOM 375 CD2 LEU A 23 -10.709 -2.081 -11.970 1.00 0.00 C ATOM 0 H LEU A 23 -14.002 -1.375 -10.493 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.801 -3.584 -12.119 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.173 -2.156 -9.607 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.143 -3.897 -9.412 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.929 -2.984 -10.175 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.629 -4.580 -12.049 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.613 -5.300 -10.753 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.395 -4.696 -12.233 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.754 -2.122 -12.493 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.519 -2.257 -12.678 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.832 -1.098 -11.515 1.00 0.00 H new ATOM 387 N ALA A 24 -15.415 -3.763 -10.321 1.00 0.00 N ATOM 388 CA ALA A 24 -16.478 -4.683 -9.833 1.00 0.00 C ATOM 389 C ALA A 24 -17.207 -5.281 -11.035 1.00 0.00 C ATOM 390 O ALA A 24 -17.336 -6.482 -11.162 1.00 0.00 O ATOM 391 CB ALA A 24 -17.470 -3.903 -8.967 1.00 0.00 C ATOM 0 H ALA A 24 -15.676 -2.777 -10.352 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.033 -5.481 -9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.249 -4.577 -8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.946 -3.469 -8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -17.922 -3.107 -9.559 1.00 0.00 H new ATOM 397 N GLY A 25 -17.675 -4.450 -11.927 1.00 0.00 N ATOM 398 CA GLY A 25 -18.384 -4.972 -13.126 1.00 0.00 C ATOM 399 C GLY A 25 -17.423 -5.849 -13.926 1.00 0.00 C ATOM 400 O GLY A 25 -17.824 -6.785 -14.590 1.00 0.00 O ATOM 0 H GLY A 25 -17.596 -3.434 -11.876 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -19.259 -5.548 -12.825 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.742 -4.147 -13.741 1.00 0.00 H new ATOM 404 N ALA A 26 -16.152 -5.558 -13.857 1.00 0.00 N ATOM 405 CA ALA A 26 -15.156 -6.376 -14.603 1.00 0.00 C ATOM 406 C ALA A 26 -15.061 -7.756 -13.948 1.00 0.00 C ATOM 407 O ALA A 26 -14.890 -8.760 -14.612 1.00 0.00 O ATOM 408 CB ALA A 26 -13.792 -5.681 -14.561 1.00 0.00 C ATOM 0 H ALA A 26 -15.761 -4.788 -13.315 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.465 -6.486 -15.643 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.062 -6.279 -15.107 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.871 -4.696 -15.021 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.471 -5.573 -13.525 1.00 0.00 H new ATOM 414 N GLY A 27 -15.184 -7.812 -12.649 1.00 0.00 N ATOM 415 CA GLY A 27 -15.118 -9.124 -11.946 1.00 0.00 C ATOM 416 C GLY A 27 -13.686 -9.401 -11.483 1.00 0.00 C ATOM 417 O GLY A 27 -13.097 -10.402 -11.838 1.00 0.00 O ATOM 0 H GLY A 27 -15.328 -7.004 -12.044 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.791 -9.120 -11.089 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.454 -9.919 -12.612 1.00 0.00 H new ATOM 421 N LEU A 28 -13.119 -8.530 -10.691 1.00 0.00 N ATOM 422 CA LEU A 28 -11.726 -8.771 -10.218 1.00 0.00 C ATOM 423 C LEU A 28 -11.581 -8.350 -8.762 1.00 0.00 C ATOM 424 O LEU A 28 -12.509 -7.887 -8.129 1.00 0.00 O ATOM 425 CB LEU A 28 -10.741 -7.964 -11.058 1.00 0.00 C ATOM 426 CG LEU A 28 -9.428 -8.732 -11.202 1.00 0.00 C ATOM 427 CD1 LEU A 28 -9.318 -9.287 -12.622 1.00 0.00 C ATOM 428 CD2 LEU A 28 -8.258 -7.785 -10.932 1.00 0.00 C ATOM 0 H LEU A 28 -13.555 -7.671 -10.355 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.513 -9.836 -10.315 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.166 -7.766 -12.042 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.557 -6.997 -10.590 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.404 -9.555 -10.488 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.382 -9.835 -12.727 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.155 -9.958 -12.816 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.339 -8.464 -13.337 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.319 -8.329 -11.034 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.281 -6.964 -11.649 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.339 -7.386 -9.921 1.00 0.00 H new ATOM 440 N THR A 29 -10.406 -8.520 -8.237 1.00 0.00 N ATOM 441 CA THR A 29 -10.145 -8.147 -6.818 1.00 0.00 C ATOM 442 C THR A 29 -9.370 -6.829 -6.776 1.00 0.00 C ATOM 443 O THR A 29 -8.158 -6.813 -6.688 1.00 0.00 O ATOM 444 CB THR A 29 -9.309 -9.247 -6.160 1.00 0.00 C ATOM 445 OG1 THR A 29 -10.118 -10.398 -5.960 1.00 0.00 O ATOM 446 CG2 THR A 29 -8.778 -8.753 -4.813 1.00 0.00 C ATOM 0 H THR A 29 -9.603 -8.906 -8.733 1.00 0.00 H new ATOM 0 HA THR A 29 -11.089 -8.031 -6.286 1.00 0.00 H new ATOM 0 HB THR A 29 -8.469 -9.500 -6.806 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.584 -11.104 -5.540 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.183 -9.538 -4.346 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.157 -7.871 -4.968 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.615 -8.498 -4.163 1.00 0.00 H new ATOM 454 N CYS A 30 -10.055 -5.723 -6.862 1.00 0.00 N ATOM 455 CA CYS A 30 -9.357 -4.414 -6.855 1.00 0.00 C ATOM 456 C CYS A 30 -9.262 -3.857 -5.435 1.00 0.00 C ATOM 457 O CYS A 30 -10.136 -3.148 -4.976 1.00 0.00 O ATOM 458 CB CYS A 30 -10.149 -3.446 -7.722 1.00 0.00 C ATOM 459 SG CYS A 30 -9.166 -1.958 -8.026 1.00 0.00 S ATOM 0 H CYS A 30 -11.071 -5.672 -6.937 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.346 -4.543 -7.241 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -10.411 -3.920 -8.668 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -11.084 -3.182 -7.228 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.554 -1.010 -7.225 1.00 0.00 H new ATOM 465 N THR A 31 -8.189 -4.137 -4.751 1.00 0.00 N ATOM 466 CA THR A 31 -8.021 -3.586 -3.381 1.00 0.00 C ATOM 467 C THR A 31 -7.218 -2.295 -3.509 1.00 0.00 C ATOM 468 O THR A 31 -6.360 -2.184 -4.358 1.00 0.00 O ATOM 469 CB THR A 31 -7.260 -4.583 -2.501 1.00 0.00 C ATOM 470 OG1 THR A 31 -7.328 -5.877 -3.085 1.00 0.00 O ATOM 471 CG2 THR A 31 -7.886 -4.617 -1.106 1.00 0.00 C ATOM 0 H THR A 31 -7.422 -4.723 -5.082 1.00 0.00 H new ATOM 0 HA THR A 31 -8.991 -3.399 -2.921 1.00 0.00 H new ATOM 0 HB THR A 31 -6.218 -4.275 -2.421 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.840 -6.515 -2.524 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.344 -5.327 -0.481 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.832 -3.624 -0.659 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.929 -4.924 -1.183 1.00 0.00 H new ATOM 479 N THR A 32 -7.488 -1.310 -2.706 1.00 0.00 N ATOM 480 CA THR A 32 -6.719 -0.043 -2.843 1.00 0.00 C ATOM 481 C THR A 32 -6.604 0.655 -1.489 1.00 0.00 C ATOM 482 O THR A 32 -7.583 0.865 -0.800 1.00 0.00 O ATOM 483 CB THR A 32 -7.441 0.877 -3.828 1.00 0.00 C ATOM 484 OG1 THR A 32 -8.737 1.165 -3.334 1.00 0.00 O ATOM 485 CG2 THR A 32 -7.558 0.188 -5.187 1.00 0.00 C ATOM 0 H THR A 32 -8.195 -1.323 -1.971 1.00 0.00 H new ATOM 0 HA THR A 32 -5.718 -0.270 -3.209 1.00 0.00 H new ATOM 0 HB THR A 32 -6.875 1.802 -3.941 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.408 0.856 -3.977 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.073 0.847 -5.886 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.562 -0.037 -5.568 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.123 -0.738 -5.078 1.00 0.00 H new ATOM 493 N PHE A 33 -5.413 1.026 -1.105 1.00 0.00 N ATOM 494 CA PHE A 33 -5.237 1.722 0.198 1.00 0.00 C ATOM 495 C PHE A 33 -4.821 3.172 -0.060 1.00 0.00 C ATOM 496 O PHE A 33 -3.885 3.445 -0.785 1.00 0.00 O ATOM 497 CB PHE A 33 -4.169 1.005 1.021 1.00 0.00 C ATOM 498 CG PHE A 33 -4.799 -0.175 1.724 1.00 0.00 C ATOM 499 CD1 PHE A 33 -5.546 -1.110 0.996 1.00 0.00 C ATOM 500 CD2 PHE A 33 -4.639 -0.334 3.105 1.00 0.00 C ATOM 501 CE1 PHE A 33 -6.131 -2.201 1.650 1.00 0.00 C ATOM 502 CE2 PHE A 33 -5.223 -1.425 3.758 1.00 0.00 C ATOM 503 CZ PHE A 33 -5.969 -2.358 3.031 1.00 0.00 C ATOM 0 H PHE A 33 -4.556 0.877 -1.638 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.175 1.711 0.754 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.358 0.669 0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.733 1.689 1.750 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.671 -0.989 -0.070 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.064 0.386 3.668 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.707 -2.921 1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.098 -1.547 4.824 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.420 -3.200 3.535 1.00 0.00 H new ATOM 513 N GLU A 34 -5.527 4.102 0.520 1.00 0.00 N ATOM 514 CA GLU A 34 -5.206 5.544 0.310 1.00 0.00 C ATOM 515 C GLU A 34 -3.703 5.808 0.485 1.00 0.00 C ATOM 516 O GLU A 34 -3.195 6.817 0.037 1.00 0.00 O ATOM 517 CB GLU A 34 -5.986 6.386 1.325 1.00 0.00 C ATOM 518 CG GLU A 34 -6.141 5.603 2.632 1.00 0.00 C ATOM 519 CD GLU A 34 -6.491 6.568 3.768 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.727 7.730 3.480 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.516 6.129 4.905 1.00 0.00 O ATOM 0 H GLU A 34 -6.320 3.924 1.136 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.488 5.816 -0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.464 7.325 1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.967 6.641 0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.922 4.850 2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.217 5.073 2.863 1.00 0.00 H new ATOM 528 N ASN A 35 -2.981 4.936 1.142 1.00 0.00 N ATOM 529 CA ASN A 35 -1.520 5.198 1.332 1.00 0.00 C ATOM 530 C ASN A 35 -0.686 3.962 0.972 1.00 0.00 C ATOM 531 O ASN A 35 -0.971 2.852 1.392 1.00 0.00 O ATOM 532 CB ASN A 35 -1.259 5.577 2.792 1.00 0.00 C ATOM 533 CG ASN A 35 -1.021 7.085 2.890 1.00 0.00 C ATOM 534 OD1 ASN A 35 -1.776 7.867 2.347 1.00 0.00 O ATOM 535 ND2 ASN A 35 0.004 7.530 3.566 1.00 0.00 N ATOM 0 H ASN A 35 -3.331 4.069 1.549 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.228 6.015 0.672 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.109 5.291 3.411 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.392 5.035 3.171 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.171 8.534 3.638 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.638 6.874 4.022 1.00 0.00 H new ATOM 542 N GLY A 36 0.358 4.160 0.205 1.00 0.00 N ATOM 543 CA GLY A 36 1.236 3.020 -0.183 1.00 0.00 C ATOM 544 C GLY A 36 1.857 2.410 1.070 1.00 0.00 C ATOM 545 O GLY A 36 2.325 1.292 1.057 1.00 0.00 O ATOM 0 H GLY A 36 0.638 5.067 -0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.658 2.267 -0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.018 3.363 -0.860 1.00 0.00 H new ATOM 549 N ASN A 37 1.859 3.131 2.158 1.00 0.00 N ATOM 550 CA ASN A 37 2.441 2.572 3.408 1.00 0.00 C ATOM 551 C ASN A 37 1.540 1.434 3.883 1.00 0.00 C ATOM 552 O ASN A 37 1.826 0.280 3.655 1.00 0.00 O ATOM 553 CB ASN A 37 2.514 3.662 4.481 1.00 0.00 C ATOM 554 CG ASN A 37 3.950 3.770 4.999 1.00 0.00 C ATOM 555 OD1 ASN A 37 4.626 4.749 4.750 1.00 0.00 O ATOM 556 ND2 ASN A 37 4.448 2.798 5.713 1.00 0.00 N ATOM 0 H ASN A 37 1.485 4.077 2.234 1.00 0.00 H new ATOM 0 HA ASN A 37 3.449 2.202 3.223 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.192 4.618 4.067 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.836 3.426 5.302 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.404 2.860 6.062 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.881 1.976 5.922 1.00 0.00 H new ATOM 563 N GLU A 38 0.458 1.760 4.545 1.00 0.00 N ATOM 564 CA GLU A 38 -0.478 0.714 5.048 1.00 0.00 C ATOM 565 C GLU A 38 -0.553 -0.455 4.057 1.00 0.00 C ATOM 566 O GLU A 38 -0.491 -1.605 4.440 1.00 0.00 O ATOM 567 CB GLU A 38 -1.868 1.329 5.200 1.00 0.00 C ATOM 568 CG GLU A 38 -2.389 1.071 6.616 1.00 0.00 C ATOM 569 CD GLU A 38 -2.762 2.401 7.274 1.00 0.00 C ATOM 570 OE1 GLU A 38 -1.878 3.035 7.826 1.00 0.00 O ATOM 571 OE2 GLU A 38 -3.927 2.762 7.217 1.00 0.00 O ATOM 0 H GLU A 38 0.182 2.718 4.760 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.118 0.342 6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.826 2.401 5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.550 0.899 4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.258 0.414 6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.628 0.561 7.207 1.00 0.00 H new ATOM 578 N VAL A 39 -0.687 -0.169 2.785 1.00 0.00 N ATOM 579 CA VAL A 39 -0.763 -1.271 1.776 1.00 0.00 C ATOM 580 C VAL A 39 0.503 -2.129 1.878 1.00 0.00 C ATOM 581 O VAL A 39 0.445 -3.337 2.011 1.00 0.00 O ATOM 582 CB VAL A 39 -0.914 -0.651 0.366 1.00 0.00 C ATOM 583 CG1 VAL A 39 0.304 -0.955 -0.520 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.167 -1.221 -0.299 1.00 0.00 C ATOM 0 H VAL A 39 -0.747 0.775 2.403 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.626 -1.910 1.964 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.993 0.430 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.161 -0.504 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.202 -0.544 -0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.414 -2.034 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.280 -0.789 -1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.074 -2.304 -0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.042 -0.978 0.304 1.00 0.00 H new ATOM 594 N LEU A 40 1.644 -1.506 1.823 1.00 0.00 N ATOM 595 CA LEU A 40 2.918 -2.265 1.928 1.00 0.00 C ATOM 596 C LEU A 40 2.983 -2.917 3.311 1.00 0.00 C ATOM 597 O LEU A 40 3.737 -3.840 3.544 1.00 0.00 O ATOM 598 CB LEU A 40 4.090 -1.295 1.743 1.00 0.00 C ATOM 599 CG LEU A 40 5.420 -2.037 1.879 1.00 0.00 C ATOM 600 CD1 LEU A 40 5.729 -2.256 3.359 1.00 0.00 C ATOM 601 CD2 LEU A 40 5.336 -3.390 1.164 1.00 0.00 C ATOM 0 H LEU A 40 1.750 -0.498 1.709 1.00 0.00 H new ATOM 0 HA LEU A 40 2.972 -3.038 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.028 -0.822 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.032 -0.499 2.485 1.00 0.00 H new ATOM 0 HG LEU A 40 6.213 -1.443 1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.677 -2.785 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.797 -1.292 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.934 -2.848 3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.286 -3.914 1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.542 -3.989 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.119 -3.230 0.108 1.00 0.00 H new ATOM 613 N ALA A 41 2.177 -2.448 4.225 1.00 0.00 N ATOM 614 CA ALA A 41 2.162 -3.031 5.591 1.00 0.00 C ATOM 615 C ALA A 41 1.244 -4.251 5.591 1.00 0.00 C ATOM 616 O ALA A 41 1.399 -5.163 6.380 1.00 0.00 O ATOM 617 CB ALA A 41 1.633 -1.986 6.577 1.00 0.00 C ATOM 0 H ALA A 41 1.523 -1.679 4.079 1.00 0.00 H new ATOM 0 HA ALA A 41 3.168 -3.328 5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.619 -2.408 7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.280 -1.109 6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.622 -1.696 6.292 1.00 0.00 H new ATOM 623 N ALA A 42 0.293 -4.276 4.698 1.00 0.00 N ATOM 624 CA ALA A 42 -0.637 -5.432 4.623 1.00 0.00 C ATOM 625 C ALA A 42 0.099 -6.620 4.005 1.00 0.00 C ATOM 626 O ALA A 42 -0.114 -7.757 4.377 1.00 0.00 O ATOM 627 CB ALA A 42 -1.842 -5.064 3.753 1.00 0.00 C ATOM 0 H ALA A 42 0.121 -3.539 4.014 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.985 -5.693 5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.524 -5.913 3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.359 -4.210 4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.502 -4.807 2.750 1.00 0.00 H new ATOM 633 N LEU A 43 0.973 -6.366 3.068 1.00 0.00 N ATOM 634 CA LEU A 43 1.726 -7.479 2.438 1.00 0.00 C ATOM 635 C LEU A 43 2.756 -8.015 3.435 1.00 0.00 C ATOM 636 O LEU A 43 2.414 -8.736 4.351 1.00 0.00 O ATOM 637 CB LEU A 43 2.418 -6.957 1.180 1.00 0.00 C ATOM 638 CG LEU A 43 1.357 -6.431 0.215 1.00 0.00 C ATOM 639 CD1 LEU A 43 1.899 -5.211 -0.528 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.999 -7.527 -0.786 1.00 0.00 C ATOM 0 H LEU A 43 1.195 -5.435 2.715 1.00 0.00 H new ATOM 0 HA LEU A 43 1.050 -8.289 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.120 -6.164 1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.995 -7.753 0.709 1.00 0.00 H new ATOM 0 HG LEU A 43 0.466 -6.143 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.141 -4.837 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.154 -4.431 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.790 -5.493 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.242 -7.156 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.890 -7.815 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.609 -8.394 -0.252 1.00 0.00 H new ATOM 652 N ALA A 44 4.009 -7.671 3.272 1.00 0.00 N ATOM 653 CA ALA A 44 5.058 -8.160 4.214 1.00 0.00 C ATOM 654 C ALA A 44 5.489 -9.580 3.832 1.00 0.00 C ATOM 655 O ALA A 44 6.656 -9.915 3.885 1.00 0.00 O ATOM 656 CB ALA A 44 4.512 -8.155 5.645 1.00 0.00 C ATOM 0 H ALA A 44 4.351 -7.069 2.523 1.00 0.00 H new ATOM 0 HA ALA A 44 5.922 -7.498 4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.281 -8.513 6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.224 -7.141 5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.641 -8.808 5.705 1.00 0.00 H new ATOM 662 N SER A 45 4.564 -10.414 3.450 1.00 0.00 N ATOM 663 CA SER A 45 4.929 -11.805 3.069 1.00 0.00 C ATOM 664 C SER A 45 5.019 -11.911 1.546 1.00 0.00 C ATOM 665 O SER A 45 5.891 -12.567 1.013 1.00 0.00 O ATOM 666 CB SER A 45 3.861 -12.771 3.585 1.00 0.00 C ATOM 667 OG SER A 45 3.847 -12.742 5.007 1.00 0.00 O ATOM 0 H SER A 45 3.571 -10.192 3.385 1.00 0.00 H new ATOM 0 HA SER A 45 5.894 -12.060 3.508 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.882 -12.491 3.195 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.068 -13.782 3.233 1.00 0.00 H new ATOM 0 HG SER A 45 3.162 -13.359 5.340 1.00 0.00 H new ATOM 673 N LYS A 46 4.120 -11.280 0.837 1.00 0.00 N ATOM 674 CA LYS A 46 4.161 -11.364 -0.645 1.00 0.00 C ATOM 675 C LYS A 46 2.854 -10.801 -1.212 1.00 0.00 C ATOM 676 O LYS A 46 1.814 -10.876 -0.589 1.00 0.00 O ATOM 677 CB LYS A 46 4.340 -12.838 -1.034 1.00 0.00 C ATOM 678 CG LYS A 46 3.699 -13.141 -2.394 1.00 0.00 C ATOM 679 CD LYS A 46 4.571 -12.568 -3.513 1.00 0.00 C ATOM 680 CE LYS A 46 5.775 -13.482 -3.742 1.00 0.00 C ATOM 681 NZ LYS A 46 5.416 -14.550 -4.718 1.00 0.00 N ATOM 0 H LYS A 46 3.364 -10.714 1.222 1.00 0.00 H new ATOM 0 HA LYS A 46 4.989 -10.783 -1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.402 -13.080 -1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.893 -13.474 -0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.587 -14.218 -2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.700 -12.708 -2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.990 -12.478 -4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.907 -11.565 -3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.618 -12.902 -4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.089 -13.929 -2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.237 -15.170 -4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.624 -15.110 -4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.136 -14.116 -5.621 1.00 0.00 H new ATOM 695 N THR A 47 2.899 -10.240 -2.390 1.00 0.00 N ATOM 696 CA THR A 47 1.656 -9.682 -2.986 1.00 0.00 C ATOM 697 C THR A 47 0.921 -10.783 -3.753 1.00 0.00 C ATOM 698 O THR A 47 1.470 -11.834 -4.022 1.00 0.00 O ATOM 699 CB THR A 47 2.012 -8.496 -3.910 1.00 0.00 C ATOM 700 OG1 THR A 47 1.114 -7.426 -3.655 1.00 0.00 O ATOM 701 CG2 THR A 47 1.917 -8.891 -5.390 1.00 0.00 C ATOM 0 H THR A 47 3.739 -10.145 -2.961 1.00 0.00 H new ATOM 0 HA THR A 47 0.997 -9.314 -2.200 1.00 0.00 H new ATOM 0 HB THR A 47 3.039 -8.195 -3.703 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.586 -6.708 -3.184 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.174 -8.034 -6.013 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.609 -9.708 -5.594 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.900 -9.212 -5.616 1.00 0.00 H new ATOM 709 N PRO A 48 -0.309 -10.497 -4.070 1.00 0.00 N ATOM 710 CA PRO A 48 -1.118 -11.490 -4.805 1.00 0.00 C ATOM 711 C PRO A 48 -0.945 -11.304 -6.315 1.00 0.00 C ATOM 712 O PRO A 48 -0.403 -12.155 -6.991 1.00 0.00 O ATOM 713 CB PRO A 48 -2.555 -11.193 -4.385 1.00 0.00 C ATOM 714 CG PRO A 48 -2.569 -9.726 -3.911 1.00 0.00 C ATOM 715 CD PRO A 48 -1.118 -9.370 -3.554 1.00 0.00 C ATOM 0 HA PRO A 48 -0.826 -12.517 -4.584 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.242 -11.340 -5.218 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.874 -11.863 -3.587 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.948 -9.069 -4.694 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.222 -9.603 -3.047 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.819 -8.427 -4.012 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.993 -9.255 -2.477 1.00 0.00 H new ATOM 723 N ASP A 49 -1.401 -10.204 -6.857 1.00 0.00 N ATOM 724 CA ASP A 49 -1.252 -9.994 -8.323 1.00 0.00 C ATOM 725 C ASP A 49 -0.229 -8.892 -8.592 1.00 0.00 C ATOM 726 O ASP A 49 0.885 -9.155 -9.001 1.00 0.00 O ATOM 727 CB ASP A 49 -2.597 -9.588 -8.928 1.00 0.00 C ATOM 728 CG ASP A 49 -3.174 -10.755 -9.731 1.00 0.00 C ATOM 729 OD1 ASP A 49 -3.542 -11.745 -9.120 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.239 -10.639 -10.944 1.00 0.00 O ATOM 0 H ASP A 49 -1.866 -9.450 -6.351 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.911 -10.924 -8.778 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.290 -9.300 -8.138 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.469 -8.718 -9.573 1.00 0.00 H new ATOM 735 N VAL A 50 -0.599 -7.658 -8.384 1.00 0.00 N ATOM 736 CA VAL A 50 0.357 -6.544 -8.656 1.00 0.00 C ATOM 737 C VAL A 50 0.072 -5.370 -7.717 1.00 0.00 C ATOM 738 O VAL A 50 -1.045 -5.147 -7.301 1.00 0.00 O ATOM 739 CB VAL A 50 0.182 -6.090 -10.115 1.00 0.00 C ATOM 740 CG1 VAL A 50 0.625 -4.631 -10.282 1.00 0.00 C ATOM 741 CG2 VAL A 50 1.038 -6.967 -11.031 1.00 0.00 C ATOM 0 H VAL A 50 -1.516 -7.373 -8.040 1.00 0.00 H new ATOM 0 HA VAL A 50 1.378 -6.887 -8.490 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.872 -6.181 -10.379 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.494 -4.328 -11.321 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.021 -3.991 -9.638 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.675 -4.536 -10.006 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.913 -6.644 -12.065 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.086 -6.876 -10.747 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.725 -8.007 -10.935 1.00 0.00 H new ATOM 751 N LEU A 51 1.080 -4.602 -7.406 1.00 0.00 N ATOM 752 CA LEU A 51 0.877 -3.424 -6.521 1.00 0.00 C ATOM 753 C LEU A 51 0.786 -2.170 -7.396 1.00 0.00 C ATOM 754 O LEU A 51 1.571 -1.980 -8.301 1.00 0.00 O ATOM 755 CB LEU A 51 2.062 -3.292 -5.563 1.00 0.00 C ATOM 756 CG LEU A 51 1.551 -2.985 -4.154 1.00 0.00 C ATOM 757 CD1 LEU A 51 2.694 -3.141 -3.150 1.00 0.00 C ATOM 758 CD2 LEU A 51 1.024 -1.549 -4.105 1.00 0.00 C ATOM 0 H LEU A 51 2.038 -4.741 -7.728 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.038 -3.545 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.642 -4.215 -5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.728 -2.498 -5.900 1.00 0.00 H new ATOM 0 HG LEU A 51 0.748 -3.677 -3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.329 -2.922 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.071 -4.163 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.497 -2.449 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.660 -1.329 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.828 -0.858 -4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.209 -1.436 -4.820 1.00 0.00 H new ATOM 770 N LEU A 52 -0.162 -1.314 -7.141 1.00 0.00 N ATOM 771 CA LEU A 52 -0.288 -0.080 -7.966 1.00 0.00 C ATOM 772 C LEU A 52 -0.289 1.140 -7.046 1.00 0.00 C ATOM 773 O LEU A 52 -0.747 1.077 -5.922 1.00 0.00 O ATOM 774 CB LEU A 52 -1.592 -0.124 -8.766 1.00 0.00 C ATOM 775 CG LEU A 52 -1.270 -0.105 -10.262 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.185 -1.084 -10.997 1.00 0.00 C ATOM 777 CD2 LEU A 52 -1.489 1.304 -10.813 1.00 0.00 C ATOM 0 H LEU A 52 -0.854 -1.414 -6.399 1.00 0.00 H new ATOM 0 HA LEU A 52 0.552 -0.016 -8.658 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.155 -1.023 -8.515 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.220 0.729 -8.507 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.231 -0.398 -10.411 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.954 -1.069 -12.062 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.030 -2.090 -10.607 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.225 -0.793 -10.847 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.260 1.318 -11.879 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.528 1.596 -10.662 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.836 2.004 -10.292 1.00 0.00 H new ATOM 789 N SER A 53 0.230 2.249 -7.502 1.00 0.00 N ATOM 790 CA SER A 53 0.259 3.460 -6.629 1.00 0.00 C ATOM 791 C SER A 53 -0.196 4.697 -7.414 1.00 0.00 C ATOM 792 O SER A 53 0.338 5.008 -8.459 1.00 0.00 O ATOM 793 CB SER A 53 1.686 3.685 -6.127 1.00 0.00 C ATOM 794 OG SER A 53 1.893 5.074 -5.904 1.00 0.00 O ATOM 0 H SER A 53 0.632 2.369 -8.432 1.00 0.00 H new ATOM 0 HA SER A 53 -0.417 3.304 -5.788 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.851 3.128 -5.204 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.404 3.311 -6.857 1.00 0.00 H new ATOM 0 HG SER A 53 2.806 5.221 -5.581 1.00 0.00 H new ATOM 800 N ASP A 54 -1.170 5.415 -6.910 1.00 0.00 N ATOM 801 CA ASP A 54 -1.638 6.638 -7.624 1.00 0.00 C ATOM 802 C ASP A 54 -0.590 7.746 -7.465 1.00 0.00 C ATOM 803 O ASP A 54 0.433 7.557 -6.837 1.00 0.00 O ATOM 804 CB ASP A 54 -2.965 7.106 -7.021 1.00 0.00 C ATOM 805 CG ASP A 54 -4.098 6.199 -7.506 1.00 0.00 C ATOM 806 OD1 ASP A 54 -3.853 5.016 -7.677 1.00 0.00 O ATOM 807 OD2 ASP A 54 -5.192 6.703 -7.698 1.00 0.00 O ATOM 0 H ASP A 54 -1.658 5.206 -6.039 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.779 6.412 -8.681 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.909 7.084 -5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.163 8.138 -7.310 1.00 0.00 H new ATOM 812 N ILE A 55 -0.835 8.899 -8.029 1.00 0.00 N ATOM 813 CA ILE A 55 0.149 10.018 -7.909 1.00 0.00 C ATOM 814 C ILE A 55 -0.345 11.217 -8.720 1.00 0.00 C ATOM 815 O ILE A 55 0.430 11.908 -9.352 1.00 0.00 O ATOM 816 CB ILE A 55 1.507 9.573 -8.455 1.00 0.00 C ATOM 817 CG1 ILE A 55 2.536 10.679 -8.213 1.00 0.00 C ATOM 818 CG2 ILE A 55 1.390 9.312 -9.957 1.00 0.00 C ATOM 819 CD1 ILE A 55 3.486 10.260 -7.090 1.00 0.00 C ATOM 0 H ILE A 55 -1.674 9.116 -8.568 1.00 0.00 H new ATOM 0 HA ILE A 55 0.250 10.295 -6.860 1.00 0.00 H new ATOM 0 HB ILE A 55 1.823 8.660 -7.949 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.099 10.872 -9.126 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.031 11.608 -7.948 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.357 8.995 -10.348 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.653 8.529 -10.134 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.077 10.226 -10.462 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.218 11.049 -6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.917 10.090 -6.176 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.001 9.342 -7.373 1.00 0.00 H new ATOM 831 N ARG A 56 -1.626 11.472 -8.712 1.00 0.00 N ATOM 832 CA ARG A 56 -2.154 12.628 -9.488 1.00 0.00 C ATOM 833 C ARG A 56 -2.044 13.903 -8.636 1.00 0.00 C ATOM 834 O ARG A 56 -2.582 14.936 -8.975 1.00 0.00 O ATOM 835 CB ARG A 56 -3.615 12.340 -9.904 1.00 0.00 C ATOM 836 CG ARG A 56 -4.619 13.107 -9.032 1.00 0.00 C ATOM 837 CD ARG A 56 -4.405 12.756 -7.558 1.00 0.00 C ATOM 838 NE ARG A 56 -4.523 13.992 -6.733 1.00 0.00 N ATOM 839 CZ ARG A 56 -5.699 14.441 -6.386 1.00 0.00 C ATOM 840 NH1 ARG A 56 -6.719 14.298 -7.188 1.00 0.00 N ATOM 841 NH2 ARG A 56 -5.855 15.035 -5.236 1.00 0.00 N ATOM 0 H ARG A 56 -2.326 10.932 -8.204 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.570 12.778 -10.396 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.756 12.616 -10.949 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.810 11.270 -9.828 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.497 14.180 -9.180 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.637 12.857 -9.330 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.142 12.020 -7.237 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.422 12.305 -7.419 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.682 14.489 -6.439 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.599 13.834 -8.089 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.636 14.650 -6.914 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.059 15.149 -4.609 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.773 15.386 -4.964 1.00 0.00 H new ATOM 855 N MET A 57 -1.338 13.825 -7.536 1.00 0.00 N ATOM 856 CA MET A 57 -1.173 15.017 -6.650 1.00 0.00 C ATOM 857 C MET A 57 -1.023 16.284 -7.500 1.00 0.00 C ATOM 858 O MET A 57 -0.369 16.273 -8.525 1.00 0.00 O ATOM 859 CB MET A 57 0.083 14.847 -5.789 1.00 0.00 C ATOM 860 CG MET A 57 0.179 13.409 -5.263 1.00 0.00 C ATOM 861 SD MET A 57 -1.409 12.910 -4.548 1.00 0.00 S ATOM 862 CE MET A 57 -0.798 11.499 -3.590 1.00 0.00 C ATOM 0 H MET A 57 -0.866 12.981 -7.212 1.00 0.00 H new ATOM 0 HA MET A 57 -2.052 15.107 -6.012 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.970 15.086 -6.376 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.056 15.546 -4.953 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.452 12.733 -6.073 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.965 13.339 -4.511 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.628 10.833 -3.354 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.053 10.958 -4.174 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.345 11.856 -2.665 1.00 0.00 H new ATOM 872 N PRO A 58 -1.640 17.338 -7.037 1.00 0.00 N ATOM 873 CA PRO A 58 -1.558 18.614 -7.784 1.00 0.00 C ATOM 874 C PRO A 58 -0.103 18.941 -8.136 1.00 0.00 C ATOM 875 O PRO A 58 0.749 19.041 -7.274 1.00 0.00 O ATOM 876 CB PRO A 58 -2.128 19.655 -6.820 1.00 0.00 C ATOM 877 CG PRO A 58 -1.978 19.062 -5.405 1.00 0.00 C ATOM 878 CD PRO A 58 -1.832 17.542 -5.582 1.00 0.00 C ATOM 0 HA PRO A 58 -2.102 18.580 -8.728 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.590 20.599 -6.905 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.174 19.863 -7.046 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.107 19.479 -4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.847 19.299 -4.791 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.983 17.159 -5.015 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.718 17.017 -5.224 1.00 0.00 H new ATOM 886 N GLY A 59 0.187 19.114 -9.397 1.00 0.00 N ATOM 887 CA GLY A 59 1.584 19.439 -9.808 1.00 0.00 C ATOM 888 C GLY A 59 2.568 18.542 -9.054 1.00 0.00 C ATOM 889 O GLY A 59 2.459 17.331 -9.071 1.00 0.00 O ATOM 0 H GLY A 59 -0.484 19.044 -10.162 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.699 19.298 -10.883 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.800 20.487 -9.600 1.00 0.00 H new ATOM 893 N MET A 60 3.530 19.126 -8.392 1.00 0.00 N ATOM 894 CA MET A 60 4.522 18.308 -7.638 1.00 0.00 C ATOM 895 C MET A 60 3.841 17.680 -6.417 1.00 0.00 C ATOM 896 O MET A 60 2.676 17.336 -6.457 1.00 0.00 O ATOM 897 CB MET A 60 5.676 19.206 -7.183 1.00 0.00 C ATOM 898 CG MET A 60 5.174 20.193 -6.127 1.00 0.00 C ATOM 899 SD MET A 60 5.924 21.816 -6.413 1.00 0.00 S ATOM 900 CE MET A 60 4.742 22.788 -5.449 1.00 0.00 C ATOM 0 H MET A 60 3.672 20.135 -8.341 1.00 0.00 H new ATOM 0 HA MET A 60 4.911 17.517 -8.279 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.483 18.598 -6.773 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.086 19.748 -8.035 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.088 20.269 -6.172 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.427 19.834 -5.129 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.019 23.841 -5.489 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.742 22.660 -5.863 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.752 22.449 -4.413 1.00 0.00 H new ATOM 910 N ASP A 61 4.556 17.527 -5.335 1.00 0.00 N ATOM 911 CA ASP A 61 3.950 16.923 -4.113 1.00 0.00 C ATOM 912 C ASP A 61 3.529 15.480 -4.402 1.00 0.00 C ATOM 913 O ASP A 61 2.495 15.230 -4.984 1.00 0.00 O ATOM 914 CB ASP A 61 2.723 17.737 -3.689 1.00 0.00 C ATOM 915 CG ASP A 61 3.174 19.095 -3.146 1.00 0.00 C ATOM 916 OD1 ASP A 61 3.769 19.116 -2.081 1.00 0.00 O ATOM 917 OD2 ASP A 61 2.914 20.089 -3.803 1.00 0.00 O ATOM 0 H ASP A 61 5.536 17.795 -5.244 1.00 0.00 H new ATOM 0 HA ASP A 61 4.686 16.930 -3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.055 17.877 -4.539 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.161 17.197 -2.927 1.00 0.00 H new ATOM 922 N GLY A 62 4.321 14.528 -3.991 1.00 0.00 N ATOM 923 CA GLY A 62 3.966 13.101 -4.232 1.00 0.00 C ATOM 924 C GLY A 62 4.614 12.239 -3.149 1.00 0.00 C ATOM 925 O GLY A 62 5.736 11.795 -3.284 1.00 0.00 O ATOM 0 H GLY A 62 5.201 14.677 -3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.883 12.974 -4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.310 12.789 -5.218 1.00 0.00 H new ATOM 929 N LEU A 63 3.914 12.016 -2.069 1.00 0.00 N ATOM 930 CA LEU A 63 4.473 11.198 -0.953 1.00 0.00 C ATOM 931 C LEU A 63 5.289 10.026 -1.506 1.00 0.00 C ATOM 932 O LEU A 63 4.987 9.481 -2.549 1.00 0.00 O ATOM 933 CB LEU A 63 3.324 10.656 -0.098 1.00 0.00 C ATOM 934 CG LEU A 63 2.606 9.533 -0.851 1.00 0.00 C ATOM 935 CD1 LEU A 63 1.412 9.047 -0.029 1.00 0.00 C ATOM 936 CD2 LEU A 63 2.109 10.059 -2.199 1.00 0.00 C ATOM 0 H LEU A 63 2.970 12.369 -1.911 1.00 0.00 H new ATOM 0 HA LEU A 63 5.125 11.827 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.709 10.283 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.622 11.457 0.136 1.00 0.00 H new ATOM 0 HG LEU A 63 3.299 8.707 -1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.902 8.248 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.761 8.672 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.721 9.874 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.598 9.260 -2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.418 10.886 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.957 10.407 -2.789 1.00 0.00 H new ATOM 948 N ALA A 64 6.319 9.633 -0.807 1.00 0.00 N ATOM 949 CA ALA A 64 7.155 8.495 -1.279 1.00 0.00 C ATOM 950 C ALA A 64 6.606 7.195 -0.692 1.00 0.00 C ATOM 951 O ALA A 64 6.484 7.047 0.508 1.00 0.00 O ATOM 952 CB ALA A 64 8.599 8.697 -0.818 1.00 0.00 C ATOM 0 H ALA A 64 6.618 10.053 0.073 1.00 0.00 H new ATOM 0 HA ALA A 64 7.129 8.445 -2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.211 7.864 -1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.986 9.628 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.630 8.743 0.271 1.00 0.00 H new ATOM 958 N LEU A 65 6.263 6.254 -1.527 1.00 0.00 N ATOM 959 CA LEU A 65 5.710 4.970 -1.013 1.00 0.00 C ATOM 960 C LEU A 65 6.382 3.795 -1.727 1.00 0.00 C ATOM 961 O LEU A 65 6.745 2.812 -1.117 1.00 0.00 O ATOM 962 CB LEU A 65 4.204 4.932 -1.277 1.00 0.00 C ATOM 963 CG LEU A 65 3.561 6.216 -0.748 1.00 0.00 C ATOM 964 CD1 LEU A 65 2.334 6.561 -1.594 1.00 0.00 C ATOM 965 CD2 LEU A 65 3.136 6.009 0.707 1.00 0.00 C ATOM 0 H LEU A 65 6.342 6.318 -2.542 1.00 0.00 H new ATOM 0 HA LEU A 65 5.900 4.895 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.014 4.831 -2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.760 4.063 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 65 4.281 7.033 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.877 7.476 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.637 6.708 -2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.613 5.745 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.678 6.923 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.417 5.192 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.010 5.765 1.310 1.00 0.00 H new ATOM 977 N LEU A 66 6.543 3.889 -3.016 1.00 0.00 N ATOM 978 CA LEU A 66 7.180 2.777 -3.779 1.00 0.00 C ATOM 979 C LEU A 66 8.375 2.210 -3.003 1.00 0.00 C ATOM 980 O LEU A 66 8.489 1.016 -2.812 1.00 0.00 O ATOM 981 CB LEU A 66 7.661 3.307 -5.130 1.00 0.00 C ATOM 982 CG LEU A 66 6.949 2.554 -6.254 1.00 0.00 C ATOM 983 CD1 LEU A 66 7.341 1.076 -6.206 1.00 0.00 C ATOM 984 CD2 LEU A 66 5.435 2.686 -6.077 1.00 0.00 C ATOM 0 H LEU A 66 6.260 4.692 -3.578 1.00 0.00 H new ATOM 0 HA LEU A 66 6.448 1.983 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.458 4.375 -5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.740 3.181 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 66 7.241 2.976 -7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.834 0.539 -7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.420 0.981 -6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.050 0.653 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.927 2.149 -6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.143 2.264 -5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.155 3.739 -6.111 1.00 0.00 H new ATOM 996 N LYS A 67 9.272 3.049 -2.566 1.00 0.00 N ATOM 997 CA LYS A 67 10.462 2.547 -1.819 1.00 0.00 C ATOM 998 C LYS A 67 10.044 1.483 -0.802 1.00 0.00 C ATOM 999 O LYS A 67 10.623 0.417 -0.742 1.00 0.00 O ATOM 1000 CB LYS A 67 11.154 3.705 -1.094 1.00 0.00 C ATOM 1001 CG LYS A 67 10.108 4.638 -0.479 1.00 0.00 C ATOM 1002 CD LYS A 67 10.440 6.085 -0.849 1.00 0.00 C ATOM 1003 CE LYS A 67 10.840 6.856 0.411 1.00 0.00 C ATOM 1004 NZ LYS A 67 11.982 6.166 1.077 1.00 0.00 N ATOM 0 H LYS A 67 9.234 4.060 -2.693 1.00 0.00 H new ATOM 0 HA LYS A 67 11.155 2.102 -2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.810 3.317 -0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.782 4.259 -1.792 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.114 4.377 -0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.093 4.522 0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.252 6.108 -1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.578 6.558 -1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.120 7.877 0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.993 6.922 1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.586 6.870 1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.618 5.495 1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.539 5.651 0.366 1.00 0.00 H new ATOM 1018 N GLN A 68 9.054 1.749 0.008 1.00 0.00 N ATOM 1019 CA GLN A 68 8.644 0.724 1.009 1.00 0.00 C ATOM 1020 C GLN A 68 7.984 -0.454 0.290 1.00 0.00 C ATOM 1021 O GLN A 68 8.237 -1.597 0.615 1.00 0.00 O ATOM 1022 CB GLN A 68 7.693 1.341 2.048 1.00 0.00 C ATOM 1023 CG GLN A 68 6.252 1.383 1.529 1.00 0.00 C ATOM 1024 CD GLN A 68 5.508 2.517 2.231 1.00 0.00 C ATOM 1025 OE1 GLN A 68 5.693 2.740 3.411 1.00 0.00 O ATOM 1026 NE2 GLN A 68 4.670 3.251 1.552 1.00 0.00 N ATOM 0 H GLN A 68 8.519 2.618 0.020 1.00 0.00 H new ATOM 0 HA GLN A 68 9.525 0.361 1.539 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.733 0.761 2.970 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.023 2.351 2.292 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.244 1.538 0.450 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.755 0.432 1.718 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.515 3.064 0.561 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.170 4.012 2.012 1.00 0.00 H new ATOM 1035 N ILE A 69 7.132 -0.190 -0.670 1.00 0.00 N ATOM 1036 CA ILE A 69 6.450 -1.297 -1.401 1.00 0.00 C ATOM 1037 C ILE A 69 7.425 -2.462 -1.595 1.00 0.00 C ATOM 1038 O ILE A 69 7.127 -3.593 -1.274 1.00 0.00 O ATOM 1039 CB ILE A 69 5.982 -0.756 -2.769 1.00 0.00 C ATOM 1040 CG1 ILE A 69 4.499 -0.396 -2.676 1.00 0.00 C ATOM 1041 CG2 ILE A 69 6.172 -1.798 -3.881 1.00 0.00 C ATOM 1042 CD1 ILE A 69 4.355 1.111 -2.470 1.00 0.00 C ATOM 0 H ILE A 69 6.880 0.749 -0.978 1.00 0.00 H new ATOM 0 HA ILE A 69 5.592 -1.657 -0.834 1.00 0.00 H new ATOM 0 HB ILE A 69 6.582 0.120 -3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.982 -0.701 -3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.034 -0.933 -1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.832 -1.383 -4.830 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.227 -2.061 -3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.592 -2.690 -3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.298 1.370 -2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.859 1.402 -1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.805 1.638 -3.311 1.00 0.00 H new ATOM 1054 N LYS A 70 8.582 -2.180 -2.132 1.00 0.00 N ATOM 1055 CA LYS A 70 9.591 -3.250 -2.374 1.00 0.00 C ATOM 1056 C LYS A 70 10.219 -3.701 -1.052 1.00 0.00 C ATOM 1057 O LYS A 70 10.180 -4.864 -0.708 1.00 0.00 O ATOM 1058 CB LYS A 70 10.686 -2.699 -3.289 1.00 0.00 C ATOM 1059 CG LYS A 70 10.329 -2.984 -4.747 1.00 0.00 C ATOM 1060 CD LYS A 70 9.728 -1.727 -5.380 1.00 0.00 C ATOM 1061 CE LYS A 70 10.736 -0.580 -5.291 1.00 0.00 C ATOM 1062 NZ LYS A 70 10.755 0.168 -6.580 1.00 0.00 N ATOM 0 H LYS A 70 8.873 -1.245 -2.416 1.00 0.00 H new ATOM 0 HA LYS A 70 9.101 -4.105 -2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.797 -1.626 -3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.644 -3.157 -3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.218 -3.291 -5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.618 -3.808 -4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.470 -1.919 -6.422 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.805 -1.455 -4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.469 0.090 -4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.729 -0.971 -5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.913 1.179 -6.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.521 -0.196 -7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.844 0.044 -7.067 1.00 0.00 H new ATOM 1076 N GLN A 71 10.816 -2.786 -0.329 1.00 0.00 N ATOM 1077 CA GLN A 71 11.476 -3.137 0.968 1.00 0.00 C ATOM 1078 C GLN A 71 10.739 -4.283 1.664 1.00 0.00 C ATOM 1079 O GLN A 71 11.343 -5.129 2.291 1.00 0.00 O ATOM 1080 CB GLN A 71 11.471 -1.912 1.884 1.00 0.00 C ATOM 1081 CG GLN A 71 12.823 -1.203 1.796 1.00 0.00 C ATOM 1082 CD GLN A 71 13.313 -0.863 3.204 1.00 0.00 C ATOM 1083 OE1 GLN A 71 13.495 0.292 3.534 1.00 0.00 O ATOM 1084 NE2 GLN A 71 13.537 -1.827 4.056 1.00 0.00 N ATOM 0 H GLN A 71 10.875 -1.800 -0.584 1.00 0.00 H new ATOM 0 HA GLN A 71 12.498 -3.453 0.761 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.672 -1.231 1.593 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.273 -2.215 2.912 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.548 -1.841 1.291 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.731 -0.294 1.202 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.385 -2.797 3.780 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.864 -1.610 4.997 1.00 0.00 H new ATOM 1093 N ARG A 72 9.439 -4.317 1.565 1.00 0.00 N ATOM 1094 CA ARG A 72 8.675 -5.410 2.229 1.00 0.00 C ATOM 1095 C ARG A 72 8.264 -6.456 1.191 1.00 0.00 C ATOM 1096 O ARG A 72 8.153 -7.629 1.486 1.00 0.00 O ATOM 1097 CB ARG A 72 7.427 -4.825 2.889 1.00 0.00 C ATOM 1098 CG ARG A 72 7.464 -5.107 4.393 1.00 0.00 C ATOM 1099 CD ARG A 72 8.668 -4.395 5.017 1.00 0.00 C ATOM 1100 NE ARG A 72 8.650 -4.592 6.494 1.00 0.00 N ATOM 1101 CZ ARG A 72 9.643 -5.200 7.085 1.00 0.00 C ATOM 1102 NH1 ARG A 72 9.819 -6.482 6.911 1.00 0.00 N ATOM 1103 NH2 ARG A 72 10.460 -4.526 7.849 1.00 0.00 N ATOM 0 H ARG A 72 8.874 -3.638 1.055 1.00 0.00 H new ATOM 0 HA ARG A 72 9.301 -5.883 2.986 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.378 -3.751 2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.531 -5.262 2.448 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.542 -4.763 4.861 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.530 -6.180 4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.594 -4.788 4.598 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.638 -3.331 4.781 1.00 0.00 H new ATOM 0 HE ARG A 72 7.861 -4.252 7.044 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.181 -7.008 6.314 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.595 -6.958 7.372 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.322 -3.524 7.984 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.236 -5.001 8.311 1.00 0.00 H new ATOM 1117 N HIS A 73 8.043 -6.040 -0.024 1.00 0.00 N ATOM 1118 CA HIS A 73 7.643 -7.006 -1.084 1.00 0.00 C ATOM 1119 C HIS A 73 8.812 -7.952 -1.374 1.00 0.00 C ATOM 1120 O HIS A 73 9.855 -7.859 -0.761 1.00 0.00 O ATOM 1121 CB HIS A 73 7.303 -6.245 -2.367 1.00 0.00 C ATOM 1122 CG HIS A 73 5.808 -6.152 -2.550 1.00 0.00 C ATOM 1123 ND1 HIS A 73 5.245 -5.844 -3.779 1.00 0.00 N ATOM 1124 CD2 HIS A 73 4.748 -6.331 -1.688 1.00 0.00 C ATOM 1125 CE1 HIS A 73 3.908 -5.851 -3.627 1.00 0.00 C ATOM 1126 NE2 HIS A 73 3.554 -6.141 -2.375 1.00 0.00 N ATOM 0 H HIS A 73 8.122 -5.070 -0.330 1.00 0.00 H new ATOM 0 HA HIS A 73 6.775 -7.572 -0.745 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.733 -5.244 -2.327 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.749 -6.749 -3.224 1.00 0.00 H new ATOM 0 HD1 HIS A 73 5.752 -5.648 -4.642 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.832 -6.580 -0.641 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.207 -5.647 -4.423 1.00 0.00 H new ATOM 1134 N PRO A 74 8.595 -8.821 -2.325 1.00 0.00 N ATOM 1135 CA PRO A 74 9.669 -9.764 -2.704 1.00 0.00 C ATOM 1136 C PRO A 74 10.139 -9.461 -4.128 1.00 0.00 C ATOM 1137 O PRO A 74 10.409 -10.352 -4.908 1.00 0.00 O ATOM 1138 CB PRO A 74 9.013 -11.143 -2.635 1.00 0.00 C ATOM 1139 CG PRO A 74 7.500 -10.903 -2.786 1.00 0.00 C ATOM 1140 CD PRO A 74 7.251 -9.443 -2.380 1.00 0.00 C ATOM 0 HA PRO A 74 10.543 -9.696 -2.056 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.386 -11.792 -3.427 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.237 -11.635 -1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.179 -11.081 -3.812 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.933 -11.585 -2.152 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.612 -8.937 -3.103 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.749 -9.383 -1.414 1.00 0.00 H new ATOM 1148 N MET A 75 10.227 -8.204 -4.472 1.00 0.00 N ATOM 1149 CA MET A 75 10.668 -7.830 -5.846 1.00 0.00 C ATOM 1150 C MET A 75 9.658 -8.355 -6.870 1.00 0.00 C ATOM 1151 O MET A 75 9.918 -9.305 -7.582 1.00 0.00 O ATOM 1152 CB MET A 75 12.047 -8.432 -6.128 1.00 0.00 C ATOM 1153 CG MET A 75 13.115 -7.628 -5.386 1.00 0.00 C ATOM 1154 SD MET A 75 13.769 -6.341 -6.476 1.00 0.00 S ATOM 1155 CE MET A 75 14.833 -5.533 -5.257 1.00 0.00 C ATOM 0 H MET A 75 10.012 -7.418 -3.858 1.00 0.00 H new ATOM 0 HA MET A 75 10.728 -6.744 -5.922 1.00 0.00 H new ATOM 0 HB2 MET A 75 12.073 -9.474 -5.808 1.00 0.00 H new ATOM 0 HB3 MET A 75 12.248 -8.422 -7.199 1.00 0.00 H new ATOM 0 HG2 MET A 75 12.689 -7.178 -4.489 1.00 0.00 H new ATOM 0 HG3 MET A 75 13.920 -8.287 -5.060 1.00 0.00 H new ATOM 0 HE1 MET A 75 15.346 -4.691 -5.723 1.00 0.00 H new ATOM 0 HE2 MET A 75 14.226 -5.174 -4.426 1.00 0.00 H new ATOM 0 HE3 MET A 75 15.569 -6.246 -4.887 1.00 0.00 H new ATOM 1165 N LEU A 76 8.507 -7.742 -6.950 1.00 0.00 N ATOM 1166 CA LEU A 76 7.479 -8.201 -7.927 1.00 0.00 C ATOM 1167 C LEU A 76 6.966 -6.982 -8.722 1.00 0.00 C ATOM 1168 O LEU A 76 7.408 -5.876 -8.485 1.00 0.00 O ATOM 1169 CB LEU A 76 6.357 -8.915 -7.162 1.00 0.00 C ATOM 1170 CG LEU A 76 5.612 -7.929 -6.265 1.00 0.00 C ATOM 1171 CD1 LEU A 76 4.339 -7.458 -6.964 1.00 0.00 C ATOM 1172 CD2 LEU A 76 5.239 -8.637 -4.962 1.00 0.00 C ATOM 0 H LEU A 76 8.235 -6.942 -6.379 1.00 0.00 H new ATOM 0 HA LEU A 76 7.898 -8.909 -8.642 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.662 -9.372 -7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.775 -9.721 -6.559 1.00 0.00 H new ATOM 0 HG LEU A 76 6.247 -7.068 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.810 -6.755 -6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.599 -6.967 -7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.698 -8.315 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.706 -7.944 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.600 -9.492 -5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.145 -8.980 -4.462 1.00 0.00 H new ATOM 1184 N PRO A 77 6.093 -7.219 -9.677 1.00 0.00 N ATOM 1185 CA PRO A 77 5.633 -6.074 -10.503 1.00 0.00 C ATOM 1186 C PRO A 77 4.773 -5.078 -9.712 1.00 0.00 C ATOM 1187 O PRO A 77 3.807 -5.433 -9.062 1.00 0.00 O ATOM 1188 CB PRO A 77 4.822 -6.710 -11.631 1.00 0.00 C ATOM 1189 CG PRO A 77 4.369 -8.087 -11.119 1.00 0.00 C ATOM 1190 CD PRO A 77 5.264 -8.429 -9.917 1.00 0.00 C ATOM 0 HA PRO A 77 6.480 -5.490 -10.864 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.963 -6.090 -11.889 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.425 -6.811 -12.533 1.00 0.00 H new ATOM 0 HG2 PRO A 77 3.319 -8.064 -10.826 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.466 -8.841 -11.900 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.665 -8.674 -9.040 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.889 -9.297 -10.128 1.00 0.00 H new ATOM 1198 N VAL A 78 5.120 -3.820 -9.795 1.00 0.00 N ATOM 1199 CA VAL A 78 4.347 -2.755 -9.090 1.00 0.00 C ATOM 1200 C VAL A 78 4.131 -1.598 -10.073 1.00 0.00 C ATOM 1201 O VAL A 78 5.021 -0.811 -10.322 1.00 0.00 O ATOM 1202 CB VAL A 78 5.149 -2.270 -7.879 1.00 0.00 C ATOM 1203 CG1 VAL A 78 4.336 -1.241 -7.091 1.00 0.00 C ATOM 1204 CG2 VAL A 78 5.471 -3.464 -6.977 1.00 0.00 C ATOM 0 H VAL A 78 5.919 -3.481 -10.330 1.00 0.00 H new ATOM 0 HA VAL A 78 3.386 -3.137 -8.746 1.00 0.00 H new ATOM 0 HB VAL A 78 6.074 -1.806 -8.222 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.914 -0.902 -6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.106 -0.390 -7.733 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.408 -1.697 -6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.042 -3.124 -6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.543 -3.926 -6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.057 -4.194 -7.535 1.00 0.00 H new ATOM 1214 N ILE A 79 2.965 -1.505 -10.659 1.00 0.00 N ATOM 1215 CA ILE A 79 2.711 -0.419 -11.651 1.00 0.00 C ATOM 1216 C ILE A 79 2.385 0.902 -10.949 1.00 0.00 C ATOM 1217 O ILE A 79 2.011 0.941 -9.791 1.00 0.00 O ATOM 1218 CB ILE A 79 1.543 -0.817 -12.555 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.700 -2.281 -12.973 1.00 0.00 C ATOM 1220 CG2 ILE A 79 1.539 0.068 -13.802 1.00 0.00 C ATOM 1221 CD1 ILE A 79 2.997 -2.449 -13.767 1.00 0.00 C ATOM 0 H ILE A 79 2.179 -2.134 -10.493 1.00 0.00 H new ATOM 0 HA ILE A 79 3.613 -0.279 -12.246 1.00 0.00 H new ATOM 0 HB ILE A 79 0.605 -0.689 -12.015 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.715 -2.922 -12.092 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.848 -2.591 -13.578 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.707 -0.215 -14.447 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.431 1.112 -13.507 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.477 -0.061 -14.343 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.109 -3.492 -14.065 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.963 -1.819 -14.656 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.844 -2.156 -13.147 1.00 0.00 H new ATOM 1233 N ILE A 80 2.529 1.990 -11.657 1.00 0.00 N ATOM 1234 CA ILE A 80 2.239 3.322 -11.061 1.00 0.00 C ATOM 1235 C ILE A 80 1.520 4.193 -12.094 1.00 0.00 C ATOM 1236 O ILE A 80 1.892 4.236 -13.249 1.00 0.00 O ATOM 1237 CB ILE A 80 3.554 3.992 -10.663 1.00 0.00 C ATOM 1238 CG1 ILE A 80 4.408 3.004 -9.864 1.00 0.00 C ATOM 1239 CG2 ILE A 80 3.260 5.224 -9.806 1.00 0.00 C ATOM 1240 CD1 ILE A 80 5.353 2.262 -10.812 1.00 0.00 C ATOM 0 H ILE A 80 2.837 2.011 -12.629 1.00 0.00 H new ATOM 0 HA ILE A 80 1.607 3.201 -10.181 1.00 0.00 H new ATOM 0 HB ILE A 80 4.094 4.295 -11.560 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.981 3.535 -9.104 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.768 2.293 -9.342 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.198 5.702 -9.522 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.652 5.927 -10.376 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.720 4.922 -8.908 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.961 1.559 -10.243 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.770 1.719 -11.556 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.002 2.979 -11.314 1.00 0.00 H new ATOM 1252 N MET A 81 0.496 4.890 -11.687 1.00 0.00 N ATOM 1253 CA MET A 81 -0.241 5.759 -12.648 1.00 0.00 C ATOM 1254 C MET A 81 0.513 7.080 -12.815 1.00 0.00 C ATOM 1255 O MET A 81 0.280 8.032 -12.097 1.00 0.00 O ATOM 1256 CB MET A 81 -1.648 6.033 -12.113 1.00 0.00 C ATOM 1257 CG MET A 81 -2.617 6.203 -13.285 1.00 0.00 C ATOM 1258 SD MET A 81 -4.097 5.204 -12.992 1.00 0.00 S ATOM 1259 CE MET A 81 -3.270 3.597 -12.892 1.00 0.00 C ATOM 0 H MET A 81 0.138 4.896 -10.732 1.00 0.00 H new ATOM 0 HA MET A 81 -0.315 5.258 -13.613 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.973 5.210 -11.476 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.645 6.932 -11.497 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.890 7.252 -13.396 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.137 5.898 -14.215 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.873 2.845 -13.400 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.292 3.661 -13.369 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.146 3.316 -11.846 1.00 0.00 H new ATOM 1269 N THR A 82 1.416 7.145 -13.754 1.00 0.00 N ATOM 1270 CA THR A 82 2.186 8.406 -13.961 1.00 0.00 C ATOM 1271 C THR A 82 3.063 8.667 -12.735 1.00 0.00 C ATOM 1272 O THR A 82 3.099 7.879 -11.811 1.00 0.00 O ATOM 1273 CB THR A 82 1.212 9.572 -14.154 1.00 0.00 C ATOM 1274 OG1 THR A 82 -0.004 9.083 -14.703 1.00 0.00 O ATOM 1275 CG2 THR A 82 1.826 10.599 -15.106 1.00 0.00 C ATOM 0 H THR A 82 1.655 6.381 -14.387 1.00 0.00 H new ATOM 0 HA THR A 82 2.815 8.312 -14.846 1.00 0.00 H new ATOM 0 HB THR A 82 1.014 10.045 -13.192 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.630 9.827 -14.826 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.132 11.429 -15.243 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.760 10.972 -14.685 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.024 10.129 -16.069 1.00 0.00 H new ATOM 1283 N ALA A 83 3.773 9.763 -12.714 1.00 0.00 N ATOM 1284 CA ALA A 83 4.643 10.058 -11.537 1.00 0.00 C ATOM 1285 C ALA A 83 5.379 11.383 -11.749 1.00 0.00 C ATOM 1286 O ALA A 83 5.794 11.709 -12.843 1.00 0.00 O ATOM 1287 CB ALA A 83 5.667 8.933 -11.367 1.00 0.00 C ATOM 0 H ALA A 83 3.789 10.463 -13.455 1.00 0.00 H new ATOM 0 HA ALA A 83 4.022 10.131 -10.644 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.303 9.147 -10.508 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.147 7.989 -11.207 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.281 8.861 -12.265 1.00 0.00 H new ATOM 1293 N HIS A 84 5.550 12.146 -10.703 1.00 0.00 N ATOM 1294 CA HIS A 84 6.267 13.446 -10.831 1.00 0.00 C ATOM 1295 C HIS A 84 7.047 13.716 -9.544 1.00 0.00 C ATOM 1296 O HIS A 84 7.151 14.840 -9.093 1.00 0.00 O ATOM 1297 CB HIS A 84 5.258 14.574 -11.062 1.00 0.00 C ATOM 1298 CG HIS A 84 5.976 15.791 -11.582 1.00 0.00 C ATOM 1299 ND1 HIS A 84 6.431 15.878 -12.889 1.00 0.00 N ATOM 1300 CD2 HIS A 84 6.325 16.977 -10.984 1.00 0.00 C ATOM 1301 CE1 HIS A 84 7.021 17.079 -13.034 1.00 0.00 C ATOM 1302 NE2 HIS A 84 6.984 17.789 -11.903 1.00 0.00 N ATOM 0 H HIS A 84 5.223 11.924 -9.763 1.00 0.00 H new ATOM 0 HA HIS A 84 6.953 13.401 -11.677 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.497 14.255 -11.774 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.743 14.812 -10.131 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.119 17.240 -9.957 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.470 17.426 -13.953 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.358 18.725 -11.746 1.00 0.00 H new ATOM 1310 N SER A 85 7.596 12.692 -8.948 1.00 0.00 N ATOM 1311 CA SER A 85 8.369 12.887 -7.688 1.00 0.00 C ATOM 1312 C SER A 85 8.836 11.530 -7.158 1.00 0.00 C ATOM 1313 O SER A 85 9.882 11.418 -6.550 1.00 0.00 O ATOM 1314 CB SER A 85 7.481 13.565 -6.644 1.00 0.00 C ATOM 1315 OG SER A 85 7.933 14.896 -6.436 1.00 0.00 O ATOM 0 H SER A 85 7.543 11.729 -9.279 1.00 0.00 H new ATOM 0 HA SER A 85 9.237 13.515 -7.889 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.444 13.569 -6.979 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.511 13.008 -5.708 1.00 0.00 H new ATOM 0 HG SER A 85 7.845 15.405 -7.269 1.00 0.00 H new ATOM 1321 N ASP A 86 8.072 10.496 -7.380 1.00 0.00 N ATOM 1322 CA ASP A 86 8.481 9.150 -6.883 1.00 0.00 C ATOM 1323 C ASP A 86 9.577 8.581 -7.787 1.00 0.00 C ATOM 1324 O ASP A 86 10.270 7.652 -7.422 1.00 0.00 O ATOM 1325 CB ASP A 86 7.271 8.212 -6.890 1.00 0.00 C ATOM 1326 CG ASP A 86 7.677 6.851 -6.321 1.00 0.00 C ATOM 1327 OD1 ASP A 86 8.689 6.793 -5.641 1.00 0.00 O ATOM 1328 OD2 ASP A 86 6.969 5.890 -6.572 1.00 0.00 O ATOM 0 H ASP A 86 7.185 10.524 -7.882 1.00 0.00 H new ATOM 0 HA ASP A 86 8.863 9.240 -5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.463 8.640 -6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.894 8.095 -7.906 1.00 0.00 H new ATOM 1333 N LEU A 87 9.721 9.124 -8.971 1.00 0.00 N ATOM 1334 CA LEU A 87 10.759 8.623 -9.925 1.00 0.00 C ATOM 1335 C LEU A 87 12.005 8.162 -9.168 1.00 0.00 C ATOM 1336 O LEU A 87 12.687 7.245 -9.575 1.00 0.00 O ATOM 1337 CB LEU A 87 11.153 9.755 -10.872 1.00 0.00 C ATOM 1338 CG LEU A 87 10.220 9.757 -12.080 1.00 0.00 C ATOM 1339 CD1 LEU A 87 10.131 11.173 -12.649 1.00 0.00 C ATOM 1340 CD2 LEU A 87 10.772 8.813 -13.150 1.00 0.00 C ATOM 0 H LEU A 87 9.159 9.900 -9.320 1.00 0.00 H new ATOM 0 HA LEU A 87 10.347 7.782 -10.482 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.097 10.713 -10.354 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.186 9.629 -11.197 1.00 0.00 H new ATOM 0 HG LEU A 87 9.228 9.423 -11.776 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.465 11.177 -13.512 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.741 11.848 -11.887 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.123 11.505 -12.955 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.107 8.813 -14.014 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.763 9.149 -13.455 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.840 7.803 -12.745 1.00 0.00 H new ATOM 1352 N ASP A 88 12.316 8.797 -8.075 1.00 0.00 N ATOM 1353 CA ASP A 88 13.524 8.400 -7.300 1.00 0.00 C ATOM 1354 C ASP A 88 13.363 6.965 -6.790 1.00 0.00 C ATOM 1355 O ASP A 88 14.169 6.102 -7.075 1.00 0.00 O ATOM 1356 CB ASP A 88 13.699 9.347 -6.113 1.00 0.00 C ATOM 1357 CG ASP A 88 15.143 9.274 -5.612 1.00 0.00 C ATOM 1358 OD1 ASP A 88 16.037 9.259 -6.441 1.00 0.00 O ATOM 1359 OD2 ASP A 88 15.329 9.236 -4.406 1.00 0.00 O ATOM 0 H ASP A 88 11.786 9.575 -7.683 1.00 0.00 H new ATOM 0 HA ASP A 88 14.401 8.456 -7.945 1.00 0.00 H new ATOM 0 HB2 ASP A 88 13.457 10.368 -6.409 1.00 0.00 H new ATOM 0 HB3 ASP A 88 13.011 9.075 -5.313 1.00 0.00 H new ATOM 1364 N ALA A 89 12.331 6.705 -6.036 1.00 0.00 N ATOM 1365 CA ALA A 89 12.125 5.328 -5.503 1.00 0.00 C ATOM 1366 C ALA A 89 11.973 4.336 -6.660 1.00 0.00 C ATOM 1367 O ALA A 89 12.706 3.373 -6.763 1.00 0.00 O ATOM 1368 CB ALA A 89 10.860 5.299 -4.644 1.00 0.00 C ATOM 0 H ALA A 89 11.621 7.386 -5.766 1.00 0.00 H new ATOM 0 HA ALA A 89 12.988 5.047 -4.899 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.708 4.293 -4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.968 5.998 -3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.001 5.586 -5.251 1.00 0.00 H new ATOM 1374 N ALA A 90 11.021 4.556 -7.525 1.00 0.00 N ATOM 1375 CA ALA A 90 10.818 3.616 -8.667 1.00 0.00 C ATOM 1376 C ALA A 90 12.141 3.408 -9.409 1.00 0.00 C ATOM 1377 O ALA A 90 12.689 2.325 -9.418 1.00 0.00 O ATOM 1378 CB ALA A 90 9.783 4.202 -9.633 1.00 0.00 C ATOM 0 H ALA A 90 10.375 5.345 -7.492 1.00 0.00 H new ATOM 0 HA ALA A 90 10.463 2.659 -8.285 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.634 3.516 -10.467 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.838 4.347 -9.110 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.139 5.160 -10.011 1.00 0.00 H new ATOM 1384 N VAL A 91 12.634 4.438 -10.043 1.00 0.00 N ATOM 1385 CA VAL A 91 13.913 4.338 -10.813 1.00 0.00 C ATOM 1386 C VAL A 91 14.885 3.358 -10.142 1.00 0.00 C ATOM 1387 O VAL A 91 15.677 2.714 -10.800 1.00 0.00 O ATOM 1388 CB VAL A 91 14.558 5.725 -10.875 1.00 0.00 C ATOM 1389 CG1 VAL A 91 15.992 5.606 -11.394 1.00 0.00 C ATOM 1390 CG2 VAL A 91 13.748 6.614 -11.819 1.00 0.00 C ATOM 0 H VAL A 91 12.199 5.360 -10.061 1.00 0.00 H new ATOM 0 HA VAL A 91 13.693 3.970 -11.815 1.00 0.00 H new ATOM 0 HB VAL A 91 14.573 6.163 -9.877 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.447 6.596 -11.436 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.570 4.969 -10.724 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.983 5.168 -12.392 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.203 7.603 -11.867 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.736 6.171 -12.815 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.727 6.702 -11.449 1.00 0.00 H new ATOM 1400 N SER A 92 14.840 3.243 -8.843 1.00 0.00 N ATOM 1401 CA SER A 92 15.773 2.308 -8.153 1.00 0.00 C ATOM 1402 C SER A 92 15.082 0.962 -7.917 1.00 0.00 C ATOM 1403 O SER A 92 13.893 0.818 -8.120 1.00 0.00 O ATOM 1404 CB SER A 92 16.192 2.908 -6.811 1.00 0.00 C ATOM 1405 OG SER A 92 17.155 2.060 -6.196 1.00 0.00 O ATOM 0 H SER A 92 14.201 3.753 -8.233 1.00 0.00 H new ATOM 0 HA SER A 92 16.653 2.153 -8.777 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.610 3.904 -6.960 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.323 3.020 -6.163 1.00 0.00 H new ATOM 0 HG SER A 92 17.427 2.443 -5.336 1.00 0.00 H new ATOM 1411 N ALA A 93 15.823 -0.026 -7.491 1.00 0.00 N ATOM 1412 CA ALA A 93 15.219 -1.367 -7.241 1.00 0.00 C ATOM 1413 C ALA A 93 15.015 -2.094 -8.571 1.00 0.00 C ATOM 1414 O ALA A 93 13.909 -2.212 -9.062 1.00 0.00 O ATOM 1415 CB ALA A 93 13.871 -1.198 -6.537 1.00 0.00 C ATOM 0 H ALA A 93 16.824 0.038 -7.305 1.00 0.00 H new ATOM 0 HA ALA A 93 15.887 -1.952 -6.609 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.430 -2.178 -6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.019 -0.684 -5.587 1.00 0.00 H new ATOM 0 HB3 ALA A 93 13.203 -0.611 -7.167 1.00 0.00 H new ATOM 1421 N TYR A 94 16.073 -2.584 -9.158 1.00 0.00 N ATOM 1422 CA TYR A 94 15.941 -3.303 -10.455 1.00 0.00 C ATOM 1423 C TYR A 94 15.503 -2.317 -11.540 1.00 0.00 C ATOM 1424 O TYR A 94 16.318 -1.748 -12.240 1.00 0.00 O ATOM 1425 CB TYR A 94 14.897 -4.416 -10.318 1.00 0.00 C ATOM 1426 CG TYR A 94 15.575 -5.762 -10.429 1.00 0.00 C ATOM 1427 CD1 TYR A 94 15.955 -6.253 -11.684 1.00 0.00 C ATOM 1428 CD2 TYR A 94 15.822 -6.520 -9.277 1.00 0.00 C ATOM 1429 CE1 TYR A 94 16.581 -7.502 -11.788 1.00 0.00 C ATOM 1430 CE2 TYR A 94 16.448 -7.768 -9.382 1.00 0.00 C ATOM 1431 CZ TYR A 94 16.828 -8.258 -10.637 1.00 0.00 C ATOM 1432 OH TYR A 94 17.444 -9.488 -10.740 1.00 0.00 O ATOM 0 H TYR A 94 17.024 -2.517 -8.794 1.00 0.00 H new ATOM 0 HA TYR A 94 16.901 -3.741 -10.730 1.00 0.00 H new ATOM 0 HB2 TYR A 94 14.386 -4.333 -9.359 1.00 0.00 H new ATOM 0 HB3 TYR A 94 14.138 -4.314 -11.094 1.00 0.00 H new ATOM 0 HD1 TYR A 94 15.765 -5.669 -12.572 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.530 -6.142 -8.308 1.00 0.00 H new ATOM 0 HE1 TYR A 94 16.873 -7.881 -12.756 1.00 0.00 H new ATOM 0 HE2 TYR A 94 16.638 -8.353 -8.494 1.00 0.00 H new ATOM 0 HH TYR A 94 17.542 -9.881 -9.847 1.00 0.00 H new ATOM 1442 N GLN A 95 14.222 -2.105 -11.685 1.00 0.00 N ATOM 1443 CA GLN A 95 13.742 -1.154 -12.723 1.00 0.00 C ATOM 1444 C GLN A 95 14.060 -1.714 -14.111 1.00 0.00 C ATOM 1445 O GLN A 95 14.306 -0.977 -15.046 1.00 0.00 O ATOM 1446 CB GLN A 95 14.445 0.193 -12.541 1.00 0.00 C ATOM 1447 CG GLN A 95 13.405 1.284 -12.284 1.00 0.00 C ATOM 1448 CD GLN A 95 12.731 1.671 -13.602 1.00 0.00 C ATOM 1449 OE1 GLN A 95 11.699 1.132 -13.952 1.00 0.00 O ATOM 1450 NE2 GLN A 95 13.273 2.591 -14.352 1.00 0.00 N ATOM 0 H GLN A 95 13.491 -2.549 -11.130 1.00 0.00 H new ATOM 0 HA GLN A 95 12.665 -1.018 -12.625 1.00 0.00 H new ATOM 0 HB2 GLN A 95 15.145 0.140 -11.707 1.00 0.00 H new ATOM 0 HB3 GLN A 95 15.027 0.434 -13.430 1.00 0.00 H new ATOM 0 HG2 GLN A 95 12.659 0.929 -11.573 1.00 0.00 H new ATOM 0 HG3 GLN A 95 13.881 2.157 -11.837 1.00 0.00 H new ATOM 0 HE21 GLN A 95 14.139 3.043 -14.059 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.831 2.858 -15.232 1.00 0.00 H new ATOM 1459 N GLN A 96 14.060 -3.011 -14.253 1.00 0.00 N ATOM 1460 CA GLN A 96 14.367 -3.614 -15.582 1.00 0.00 C ATOM 1461 C GLN A 96 13.235 -4.560 -15.991 1.00 0.00 C ATOM 1462 O GLN A 96 13.388 -5.379 -16.876 1.00 0.00 O ATOM 1463 CB GLN A 96 15.677 -4.396 -15.491 1.00 0.00 C ATOM 1464 CG GLN A 96 16.490 -4.179 -16.769 1.00 0.00 C ATOM 1465 CD GLN A 96 17.400 -5.386 -17.002 1.00 0.00 C ATOM 1466 OE1 GLN A 96 17.162 -6.451 -16.469 1.00 0.00 O ATOM 1467 NE2 GLN A 96 18.438 -5.264 -17.781 1.00 0.00 N ATOM 0 H GLN A 96 13.861 -3.679 -13.508 1.00 0.00 H new ATOM 0 HA GLN A 96 14.463 -2.824 -16.327 1.00 0.00 H new ATOM 0 HB2 GLN A 96 16.249 -4.068 -14.623 1.00 0.00 H new ATOM 0 HB3 GLN A 96 15.471 -5.458 -15.354 1.00 0.00 H new ATOM 0 HG2 GLN A 96 15.822 -4.043 -17.620 1.00 0.00 H new ATOM 0 HG3 GLN A 96 17.087 -3.271 -16.684 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.637 -4.369 -18.228 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.051 -6.063 -17.943 1.00 0.00 H new ATOM 1476 N GLY A 97 12.102 -4.456 -15.353 1.00 0.00 N ATOM 1477 CA GLY A 97 10.964 -5.351 -15.705 1.00 0.00 C ATOM 1478 C GLY A 97 9.949 -5.353 -14.562 1.00 0.00 C ATOM 1479 O GLY A 97 10.294 -5.162 -13.412 1.00 0.00 O ATOM 0 H GLY A 97 11.915 -3.790 -14.603 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.491 -5.011 -16.626 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.325 -6.363 -15.887 1.00 0.00 H new ATOM 1483 N ALA A 98 8.699 -5.567 -14.867 1.00 0.00 N ATOM 1484 CA ALA A 98 7.664 -5.580 -13.796 1.00 0.00 C ATOM 1485 C ALA A 98 7.481 -4.164 -13.248 1.00 0.00 C ATOM 1486 O ALA A 98 7.225 -3.969 -12.076 1.00 0.00 O ATOM 1487 CB ALA A 98 8.111 -6.512 -12.667 1.00 0.00 C ATOM 0 H ALA A 98 8.350 -5.733 -15.811 1.00 0.00 H new ATOM 0 HA ALA A 98 6.719 -5.935 -14.207 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.354 -6.522 -11.883 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.242 -7.521 -13.058 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.056 -6.157 -12.255 1.00 0.00 H new ATOM 1493 N PHE A 99 7.616 -3.173 -14.086 1.00 0.00 N ATOM 1494 CA PHE A 99 7.453 -1.770 -13.613 1.00 0.00 C ATOM 1495 C PHE A 99 6.972 -0.893 -14.771 1.00 0.00 C ATOM 1496 O PHE A 99 7.259 0.286 -14.832 1.00 0.00 O ATOM 1497 CB PHE A 99 8.798 -1.251 -13.099 1.00 0.00 C ATOM 1498 CG PHE A 99 9.111 -1.899 -11.772 1.00 0.00 C ATOM 1499 CD1 PHE A 99 8.144 -1.921 -10.759 1.00 0.00 C ATOM 1500 CD2 PHE A 99 10.366 -2.482 -11.553 1.00 0.00 C ATOM 1501 CE1 PHE A 99 8.432 -2.524 -9.528 1.00 0.00 C ATOM 1502 CE2 PHE A 99 10.653 -3.084 -10.322 1.00 0.00 C ATOM 1503 CZ PHE A 99 9.686 -3.105 -9.310 1.00 0.00 C ATOM 0 H PHE A 99 7.832 -3.275 -15.078 1.00 0.00 H new ATOM 0 HA PHE A 99 6.719 -1.738 -12.808 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.585 -1.473 -13.819 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.764 -0.167 -12.988 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.176 -1.473 -10.927 1.00 0.00 H new ATOM 0 HD2 PHE A 99 11.112 -2.467 -12.334 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.686 -2.540 -8.747 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.621 -3.532 -10.153 1.00 0.00 H new ATOM 0 HZ PHE A 99 9.908 -3.570 -8.361 1.00 0.00 H new ATOM 1513 N ASP A 100 6.239 -1.461 -15.690 1.00 0.00 N ATOM 1514 CA ASP A 100 5.736 -0.665 -16.845 1.00 0.00 C ATOM 1515 C ASP A 100 4.955 0.547 -16.331 1.00 0.00 C ATOM 1516 O ASP A 100 4.023 0.417 -15.564 1.00 0.00 O ATOM 1517 CB ASP A 100 4.819 -1.535 -17.706 1.00 0.00 C ATOM 1518 CG ASP A 100 5.421 -1.689 -19.104 1.00 0.00 C ATOM 1519 OD1 ASP A 100 6.600 -1.987 -19.189 1.00 0.00 O ATOM 1520 OD2 ASP A 100 4.692 -1.504 -20.064 1.00 0.00 O ATOM 0 H ASP A 100 5.967 -2.444 -15.690 1.00 0.00 H new ATOM 0 HA ASP A 100 6.581 -0.325 -17.444 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.691 -2.514 -17.244 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.830 -1.083 -17.773 1.00 0.00 H new ATOM 1525 N TYR A 101 5.331 1.726 -16.747 1.00 0.00 N ATOM 1526 CA TYR A 101 4.611 2.944 -16.278 1.00 0.00 C ATOM 1527 C TYR A 101 3.294 3.094 -17.042 1.00 0.00 C ATOM 1528 O TYR A 101 3.234 2.912 -18.242 1.00 0.00 O ATOM 1529 CB TYR A 101 5.481 4.178 -16.522 1.00 0.00 C ATOM 1530 CG TYR A 101 6.227 4.520 -15.256 1.00 0.00 C ATOM 1531 CD1 TYR A 101 7.120 3.596 -14.700 1.00 0.00 C ATOM 1532 CD2 TYR A 101 6.026 5.760 -14.635 1.00 0.00 C ATOM 1533 CE1 TYR A 101 7.810 3.910 -13.523 1.00 0.00 C ATOM 1534 CE2 TYR A 101 6.716 6.073 -13.458 1.00 0.00 C ATOM 1535 CZ TYR A 101 7.609 5.149 -12.903 1.00 0.00 C ATOM 1536 OH TYR A 101 8.289 5.458 -11.744 1.00 0.00 O ATOM 0 H TYR A 101 6.104 1.898 -17.390 1.00 0.00 H new ATOM 0 HA TYR A 101 4.402 2.848 -15.213 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.185 3.987 -17.332 1.00 0.00 H new ATOM 0 HB3 TYR A 101 4.861 5.019 -16.831 1.00 0.00 H new ATOM 0 HD1 TYR A 101 7.277 2.641 -15.179 1.00 0.00 H new ATOM 0 HD2 TYR A 101 5.339 6.474 -15.064 1.00 0.00 H new ATOM 0 HE1 TYR A 101 8.497 3.196 -13.093 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.559 7.028 -12.978 1.00 0.00 H new ATOM 0 HH TYR A 101 8.035 6.356 -11.445 1.00 0.00 H new ATOM 1546 N LEU A 102 2.238 3.430 -16.351 1.00 0.00 N ATOM 1547 CA LEU A 102 0.922 3.599 -17.028 1.00 0.00 C ATOM 1548 C LEU A 102 0.538 5.081 -17.023 1.00 0.00 C ATOM 1549 O LEU A 102 0.248 5.643 -15.986 1.00 0.00 O ATOM 1550 CB LEU A 102 -0.143 2.796 -16.277 1.00 0.00 C ATOM 1551 CG LEU A 102 -0.666 1.674 -17.174 1.00 0.00 C ATOM 1552 CD1 LEU A 102 -0.416 0.323 -16.500 1.00 0.00 C ATOM 1553 CD2 LEU A 102 -2.167 1.860 -17.397 1.00 0.00 C ATOM 0 H LEU A 102 2.231 3.595 -15.344 1.00 0.00 H new ATOM 0 HA LEU A 102 0.990 3.242 -18.055 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.279 2.378 -15.363 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.963 3.449 -15.979 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.148 1.704 -18.133 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.789 -0.477 -17.139 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.654 0.190 -16.338 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.934 0.293 -15.542 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.542 1.061 -18.036 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.684 1.830 -16.438 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.347 2.822 -17.876 1.00 0.00 H new ATOM 1565 N PRO A 103 0.552 5.666 -18.190 1.00 0.00 N ATOM 1566 CA PRO A 103 0.196 7.100 -18.277 1.00 0.00 C ATOM 1567 C PRO A 103 -1.210 7.266 -18.861 1.00 0.00 C ATOM 1568 O PRO A 103 -1.626 6.521 -19.727 1.00 0.00 O ATOM 1569 CB PRO A 103 1.244 7.695 -19.218 1.00 0.00 C ATOM 1570 CG PRO A 103 1.781 6.525 -20.063 1.00 0.00 C ATOM 1571 CD PRO A 103 1.460 5.240 -19.282 1.00 0.00 C ATOM 0 HA PRO A 103 0.188 7.589 -17.303 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.804 8.464 -19.853 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.048 8.169 -18.655 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.311 6.509 -21.046 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.855 6.623 -20.224 1.00 0.00 H new ATOM 0 HD2 PRO A 103 0.984 4.498 -19.923 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.367 4.784 -18.885 1.00 0.00 H new ATOM 1579 N LYS A 104 -1.948 8.237 -18.394 1.00 0.00 N ATOM 1580 CA LYS A 104 -3.325 8.451 -18.923 1.00 0.00 C ATOM 1581 C LYS A 104 -3.246 8.815 -20.411 1.00 0.00 C ATOM 1582 O LYS A 104 -2.266 9.382 -20.852 1.00 0.00 O ATOM 1583 CB LYS A 104 -3.995 9.593 -18.153 1.00 0.00 C ATOM 1584 CG LYS A 104 -4.672 9.040 -16.897 1.00 0.00 C ATOM 1585 CD LYS A 104 -5.733 10.028 -16.410 1.00 0.00 C ATOM 1586 CE LYS A 104 -7.092 9.331 -16.346 1.00 0.00 C ATOM 1587 NZ LYS A 104 -8.113 10.167 -17.039 1.00 0.00 N ATOM 0 H LYS A 104 -1.656 8.892 -17.668 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.909 7.539 -18.801 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.254 10.343 -17.878 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.731 10.089 -18.786 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -5.131 8.075 -17.114 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.931 8.872 -16.116 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.463 10.411 -15.426 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -5.783 10.884 -17.083 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -7.031 8.349 -16.815 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -7.382 9.171 -15.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.038 9.693 -16.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -8.177 11.094 -16.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.838 10.298 -18.033 1.00 0.00 H new ATOM 1601 N PRO A 105 -4.282 8.480 -21.147 1.00 0.00 N ATOM 1602 CA PRO A 105 -5.445 7.789 -20.540 1.00 0.00 C ATOM 1603 C PRO A 105 -5.167 6.291 -20.403 1.00 0.00 C ATOM 1604 O PRO A 105 -4.145 5.795 -20.834 1.00 0.00 O ATOM 1605 CB PRO A 105 -6.591 8.038 -21.522 1.00 0.00 C ATOM 1606 CG PRO A 105 -5.935 8.350 -22.879 1.00 0.00 C ATOM 1607 CD PRO A 105 -4.494 8.795 -22.579 1.00 0.00 C ATOM 0 HA PRO A 105 -5.671 8.154 -19.538 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.238 7.164 -21.594 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.214 8.869 -21.191 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.943 7.471 -23.524 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.482 9.134 -23.402 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.779 8.266 -23.209 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.362 9.860 -22.772 1.00 0.00 H new ATOM 1615 N PHE A 106 -6.072 5.569 -19.800 1.00 0.00 N ATOM 1616 CA PHE A 106 -5.865 4.103 -19.627 1.00 0.00 C ATOM 1617 C PHE A 106 -7.214 3.421 -19.380 1.00 0.00 C ATOM 1618 O PHE A 106 -8.027 3.894 -18.612 1.00 0.00 O ATOM 1619 CB PHE A 106 -4.942 3.859 -18.428 1.00 0.00 C ATOM 1620 CG PHE A 106 -5.697 4.123 -17.147 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -5.938 5.439 -16.735 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -6.160 3.051 -16.374 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -6.643 5.683 -15.550 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -6.865 3.296 -15.189 1.00 0.00 C ATOM 1625 CZ PHE A 106 -7.108 4.611 -14.778 1.00 0.00 C ATOM 0 H PHE A 106 -6.946 5.931 -19.419 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.411 3.690 -20.528 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.575 2.833 -18.441 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -4.070 4.510 -18.489 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -5.580 6.266 -17.331 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.973 2.036 -16.692 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.828 6.698 -15.231 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -7.221 2.469 -14.592 1.00 0.00 H new ATOM 0 HZ PHE A 106 -7.654 4.799 -13.866 1.00 0.00 H new ATOM 1635 N ASP A 107 -7.452 2.306 -20.014 1.00 0.00 N ATOM 1636 CA ASP A 107 -8.740 1.593 -19.801 1.00 0.00 C ATOM 1637 C ASP A 107 -8.685 0.883 -18.448 1.00 0.00 C ATOM 1638 O ASP A 107 -7.721 1.003 -17.718 1.00 0.00 O ATOM 1639 CB ASP A 107 -8.939 0.564 -20.914 1.00 0.00 C ATOM 1640 CG ASP A 107 -10.421 0.202 -21.020 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -11.243 1.080 -20.810 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -10.710 -0.947 -21.311 1.00 0.00 O ATOM 0 H ASP A 107 -6.810 1.859 -20.669 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.569 2.300 -19.816 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -8.584 0.966 -21.863 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -8.350 -0.329 -20.706 1.00 0.00 H new ATOM 1647 N ILE A 108 -9.701 0.142 -18.099 1.00 0.00 N ATOM 1648 CA ILE A 108 -9.670 -0.561 -16.787 1.00 0.00 C ATOM 1649 C ILE A 108 -9.363 -2.042 -17.005 1.00 0.00 C ATOM 1650 O ILE A 108 -8.498 -2.601 -16.370 1.00 0.00 O ATOM 1651 CB ILE A 108 -11.018 -0.374 -16.064 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -10.745 -0.031 -14.601 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -11.875 -1.646 -16.133 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -10.876 1.480 -14.398 1.00 0.00 C ATOM 0 H ILE A 108 -10.541 -0.006 -18.658 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.885 -0.137 -16.160 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.567 0.429 -16.556 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.448 -0.558 -13.956 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.745 -0.361 -14.319 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.818 -1.478 -15.613 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.075 -1.894 -17.175 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -11.342 -2.470 -15.660 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -10.681 1.725 -13.354 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.155 1.996 -15.032 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -11.885 1.797 -14.663 1.00 0.00 H new ATOM 1666 N ASP A 109 -10.060 -2.679 -17.898 1.00 0.00 N ATOM 1667 CA ASP A 109 -9.792 -4.115 -18.148 1.00 0.00 C ATOM 1668 C ASP A 109 -8.437 -4.243 -18.819 1.00 0.00 C ATOM 1669 O ASP A 109 -7.618 -5.060 -18.453 1.00 0.00 O ATOM 1670 CB ASP A 109 -10.865 -4.659 -19.081 1.00 0.00 C ATOM 1671 CG ASP A 109 -10.758 -6.183 -19.163 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -11.094 -6.835 -18.188 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -10.339 -6.673 -20.199 1.00 0.00 O ATOM 0 H ASP A 109 -10.802 -2.268 -18.464 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.800 -4.672 -17.211 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.853 -4.374 -18.719 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.751 -4.224 -20.074 1.00 0.00 H new ATOM 1678 N GLU A 110 -8.192 -3.429 -19.797 1.00 0.00 N ATOM 1679 CA GLU A 110 -6.884 -3.493 -20.488 1.00 0.00 C ATOM 1680 C GLU A 110 -5.782 -3.443 -19.432 1.00 0.00 C ATOM 1681 O GLU A 110 -4.770 -4.105 -19.545 1.00 0.00 O ATOM 1682 CB GLU A 110 -6.754 -2.304 -21.437 1.00 0.00 C ATOM 1683 CG GLU A 110 -5.381 -2.332 -22.113 1.00 0.00 C ATOM 1684 CD GLU A 110 -5.085 -3.746 -22.619 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -5.762 -4.179 -23.536 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -4.187 -4.372 -22.078 1.00 0.00 O ATOM 0 H GLU A 110 -8.839 -2.723 -20.148 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.802 -4.413 -21.066 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.542 -2.339 -22.190 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.880 -1.372 -20.887 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.359 -1.626 -22.943 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.611 -2.019 -21.408 1.00 0.00 H new ATOM 1693 N ALA A 111 -5.979 -2.673 -18.395 1.00 0.00 N ATOM 1694 CA ALA A 111 -4.961 -2.595 -17.329 1.00 0.00 C ATOM 1695 C ALA A 111 -4.993 -3.894 -16.520 1.00 0.00 C ATOM 1696 O ALA A 111 -4.079 -4.693 -16.575 1.00 0.00 O ATOM 1697 CB ALA A 111 -5.308 -1.416 -16.427 1.00 0.00 C ATOM 0 H ALA A 111 -6.807 -2.096 -18.248 1.00 0.00 H new ATOM 0 HA ALA A 111 -3.965 -2.459 -17.751 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.569 -1.338 -15.630 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.308 -0.497 -17.013 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.296 -1.569 -15.992 1.00 0.00 H new ATOM 1703 N VAL A 112 -6.039 -4.095 -15.758 1.00 0.00 N ATOM 1704 CA VAL A 112 -6.155 -5.323 -14.923 1.00 0.00 C ATOM 1705 C VAL A 112 -5.567 -6.527 -15.661 1.00 0.00 C ATOM 1706 O VAL A 112 -4.584 -7.099 -15.249 1.00 0.00 O ATOM 1707 CB VAL A 112 -7.638 -5.579 -14.644 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -7.826 -6.995 -14.094 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -8.141 -4.565 -13.615 1.00 0.00 C ATOM 0 H VAL A 112 -6.826 -3.450 -15.680 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.607 -5.182 -13.991 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.202 -5.475 -15.571 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.883 -7.171 -13.897 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.467 -7.720 -14.825 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.262 -7.103 -13.168 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -9.197 -4.744 -13.414 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -7.572 -4.672 -12.691 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -8.012 -3.556 -14.006 1.00 0.00 H new ATOM 1719 N ALA A 113 -6.178 -6.918 -16.746 1.00 0.00 N ATOM 1720 CA ALA A 113 -5.680 -8.092 -17.519 1.00 0.00 C ATOM 1721 C ALA A 113 -4.184 -7.942 -17.816 1.00 0.00 C ATOM 1722 O ALA A 113 -3.385 -8.766 -17.419 1.00 0.00 O ATOM 1723 CB ALA A 113 -6.449 -8.188 -18.840 1.00 0.00 C ATOM 0 H ALA A 113 -7.008 -6.470 -17.134 1.00 0.00 H new ATOM 0 HA ALA A 113 -5.834 -8.995 -16.928 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -6.089 -9.045 -19.409 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -7.512 -8.310 -18.634 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -6.294 -7.277 -19.418 1.00 0.00 H new ATOM 1729 N LEU A 114 -3.813 -6.912 -18.535 1.00 0.00 N ATOM 1730 CA LEU A 114 -2.381 -6.699 -18.895 1.00 0.00 C ATOM 1731 C LEU A 114 -1.476 -7.173 -17.759 1.00 0.00 C ATOM 1732 O LEU A 114 -0.639 -8.037 -17.936 1.00 0.00 O ATOM 1733 CB LEU A 114 -2.164 -5.209 -19.134 1.00 0.00 C ATOM 1734 CG LEU A 114 -0.670 -4.920 -19.280 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -0.127 -5.650 -20.511 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -0.456 -3.415 -19.449 1.00 0.00 C ATOM 0 H LEU A 114 -4.452 -6.201 -18.892 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.137 -7.267 -19.793 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.694 -4.895 -20.033 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.575 -4.635 -18.304 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.145 -5.266 -18.389 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.938 -5.444 -20.616 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.280 -6.723 -20.394 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.653 -5.303 -21.401 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.609 -3.208 -19.553 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.981 -3.071 -20.340 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.843 -2.892 -18.575 1.00 0.00 H new ATOM 1748 N VAL A 115 -1.647 -6.624 -16.591 1.00 0.00 N ATOM 1749 CA VAL A 115 -0.805 -7.050 -15.443 1.00 0.00 C ATOM 1750 C VAL A 115 -1.019 -8.551 -15.205 1.00 0.00 C ATOM 1751 O VAL A 115 -0.082 -9.324 -15.189 1.00 0.00 O ATOM 1752 CB VAL A 115 -1.199 -6.218 -14.200 1.00 0.00 C ATOM 1753 CG1 VAL A 115 -1.595 -7.117 -13.020 1.00 0.00 C ATOM 1754 CG2 VAL A 115 -0.012 -5.346 -13.787 1.00 0.00 C ATOM 0 H VAL A 115 -2.333 -5.899 -16.382 1.00 0.00 H new ATOM 0 HA VAL A 115 0.252 -6.881 -15.648 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.059 -5.602 -14.462 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.865 -6.497 -12.165 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -2.447 -7.735 -13.304 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.755 -7.757 -12.752 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -0.281 -4.756 -12.911 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.841 -5.982 -13.548 1.00 0.00 H new ATOM 0 HG23 VAL A 115 0.252 -4.678 -14.607 1.00 0.00 H new ATOM 1764 N GLU A 116 -2.249 -8.951 -15.001 1.00 0.00 N ATOM 1765 CA GLU A 116 -2.560 -10.389 -14.739 1.00 0.00 C ATOM 1766 C GLU A 116 -1.630 -11.287 -15.555 1.00 0.00 C ATOM 1767 O GLU A 116 -1.289 -12.381 -15.151 1.00 0.00 O ATOM 1768 CB GLU A 116 -4.009 -10.667 -15.147 1.00 0.00 C ATOM 1769 CG GLU A 116 -4.338 -12.141 -14.900 1.00 0.00 C ATOM 1770 CD GLU A 116 -4.405 -12.882 -16.237 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -5.018 -12.357 -17.152 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -3.844 -13.961 -16.322 1.00 0.00 O ATOM 0 H GLU A 116 -3.061 -8.334 -15.005 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.419 -10.599 -13.679 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.686 -10.032 -14.576 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.154 -10.423 -16.199 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.579 -12.591 -14.261 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.290 -12.229 -14.376 1.00 0.00 H new ATOM 1779 N ARG A 117 -1.227 -10.830 -16.707 1.00 0.00 N ATOM 1780 CA ARG A 117 -0.327 -11.648 -17.566 1.00 0.00 C ATOM 1781 C ARG A 117 1.120 -11.476 -17.104 1.00 0.00 C ATOM 1782 O ARG A 117 1.794 -12.435 -16.786 1.00 0.00 O ATOM 1783 CB ARG A 117 -0.467 -11.191 -19.022 1.00 0.00 C ATOM 1784 CG ARG A 117 -1.884 -10.657 -19.255 1.00 0.00 C ATOM 1785 CD ARG A 117 -2.342 -11.016 -20.667 1.00 0.00 C ATOM 1786 NE ARG A 117 -1.289 -10.627 -21.644 1.00 0.00 N ATOM 1787 CZ ARG A 117 -1.110 -11.335 -22.724 1.00 0.00 C ATOM 1788 NH1 ARG A 117 -2.140 -11.712 -23.432 1.00 0.00 N ATOM 1789 NH2 ARG A 117 0.096 -11.667 -23.094 1.00 0.00 N ATOM 0 H ARG A 117 -1.483 -9.921 -17.092 1.00 0.00 H new ATOM 0 HA ARG A 117 -0.602 -12.700 -17.488 1.00 0.00 H new ATOM 0 HB2 ARG A 117 0.266 -10.416 -19.243 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -0.265 -12.023 -19.697 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.569 -11.082 -18.521 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -1.903 -9.576 -19.120 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -2.540 -12.086 -20.736 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -3.276 -10.504 -20.899 1.00 0.00 H new ATOM 0 HE ARG A 117 -0.708 -9.807 -21.469 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -3.082 -11.453 -23.140 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -2.003 -12.266 -24.277 1.00 0.00 H new ATOM 0 HH21 ARG A 117 0.899 -11.373 -22.538 1.00 0.00 H new ATOM 0 HH22 ARG A 117 0.236 -12.221 -23.939 1.00 0.00 H new ATOM 1803 N ALA A 118 1.606 -10.267 -17.059 1.00 0.00 N ATOM 1804 CA ALA A 118 3.009 -10.057 -16.608 1.00 0.00 C ATOM 1805 C ALA A 118 3.246 -10.880 -15.340 1.00 0.00 C ATOM 1806 O ALA A 118 4.090 -11.753 -15.308 1.00 0.00 O ATOM 1807 CB ALA A 118 3.235 -8.572 -16.311 1.00 0.00 C ATOM 0 H ALA A 118 1.096 -9.421 -17.313 1.00 0.00 H new ATOM 0 HA ALA A 118 3.702 -10.372 -17.388 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.263 -8.419 -15.981 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.053 -7.989 -17.214 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.550 -8.249 -15.527 1.00 0.00 H new ATOM 1813 N ILE A 119 2.510 -10.594 -14.297 1.00 0.00 N ATOM 1814 CA ILE A 119 2.671 -11.335 -13.018 1.00 0.00 C ATOM 1815 C ILE A 119 3.005 -12.806 -13.287 1.00 0.00 C ATOM 1816 O ILE A 119 3.875 -13.380 -12.661 1.00 0.00 O ATOM 1817 CB ILE A 119 1.355 -11.265 -12.247 1.00 0.00 C ATOM 1818 CG1 ILE A 119 0.838 -9.820 -12.213 1.00 0.00 C ATOM 1819 CG2 ILE A 119 1.581 -11.761 -10.817 1.00 0.00 C ATOM 1820 CD1 ILE A 119 -0.361 -9.730 -11.263 1.00 0.00 C ATOM 0 H ILE A 119 1.795 -9.867 -14.281 1.00 0.00 H new ATOM 0 HA ILE A 119 3.483 -10.886 -12.445 1.00 0.00 H new ATOM 0 HB ILE A 119 0.615 -11.893 -12.743 1.00 0.00 H new ATOM 0 HG12 ILE A 119 1.629 -9.147 -11.882 1.00 0.00 H new ATOM 0 HG13 ILE A 119 0.547 -9.503 -13.214 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.644 -11.713 -10.263 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.936 -12.791 -10.841 1.00 0.00 H new ATOM 0 HG23 ILE A 119 2.325 -11.133 -10.327 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -0.729 -8.704 -11.238 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.153 -10.391 -11.613 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -0.055 -10.030 -10.261 1.00 0.00 H new ATOM 1832 N SER A 120 2.311 -13.426 -14.208 1.00 0.00 N ATOM 1833 CA SER A 120 2.582 -14.863 -14.504 1.00 0.00 C ATOM 1834 C SER A 120 3.719 -14.980 -15.520 1.00 0.00 C ATOM 1835 O SER A 120 3.570 -15.580 -16.567 1.00 0.00 O ATOM 1836 CB SER A 120 1.322 -15.514 -15.075 1.00 0.00 C ATOM 1837 OG SER A 120 0.241 -14.592 -15.005 1.00 0.00 O ATOM 0 H SER A 120 1.571 -13.000 -14.765 1.00 0.00 H new ATOM 0 HA SER A 120 2.870 -15.369 -13.582 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.491 -15.815 -16.109 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.081 -16.418 -14.515 1.00 0.00 H new ATOM 0 HG SER A 120 -0.567 -15.007 -15.372 1.00 0.00 H new ATOM 1843 N HIS A 121 4.857 -14.420 -15.219 1.00 0.00 N ATOM 1844 CA HIS A 121 6.003 -14.508 -16.165 1.00 0.00 C ATOM 1845 C HIS A 121 7.156 -15.263 -15.498 1.00 0.00 C ATOM 1846 O HIS A 121 8.206 -15.451 -16.080 1.00 0.00 O ATOM 1847 CB HIS A 121 6.466 -13.101 -16.543 1.00 0.00 C ATOM 1848 CG HIS A 121 7.650 -13.193 -17.465 1.00 0.00 C ATOM 1849 ND1 HIS A 121 8.910 -12.742 -17.100 1.00 0.00 N ATOM 1850 CD2 HIS A 121 7.783 -13.682 -18.743 1.00 0.00 C ATOM 1851 CE1 HIS A 121 9.737 -12.966 -18.138 1.00 0.00 C ATOM 1852 NE2 HIS A 121 9.102 -13.537 -19.165 1.00 0.00 N ATOM 0 H HIS A 121 5.043 -13.905 -14.358 1.00 0.00 H new ATOM 0 HA HIS A 121 5.691 -15.039 -17.064 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.655 -12.558 -17.028 1.00 0.00 H new ATOM 0 HB3 HIS A 121 6.733 -12.541 -15.646 1.00 0.00 H new ATOM 0 HD2 HIS A 121 6.986 -14.113 -19.330 1.00 0.00 H new ATOM 0 HE1 HIS A 121 10.787 -12.714 -18.140 1.00 0.00 H new ATOM 0 HE2 HIS A 121 9.498 -13.808 -20.065 1.00 0.00 H new ATOM 1860 N TYR A 122 6.970 -15.694 -14.279 1.00 0.00 N ATOM 1861 CA TYR A 122 8.054 -16.431 -13.574 1.00 0.00 C ATOM 1862 C TYR A 122 7.785 -17.935 -13.649 1.00 0.00 C ATOM 1863 O TYR A 122 8.435 -18.724 -12.993 1.00 0.00 O ATOM 1864 CB TYR A 122 8.086 -15.990 -12.110 1.00 0.00 C ATOM 1865 CG TYR A 122 8.964 -14.771 -11.971 1.00 0.00 C ATOM 1866 CD1 TYR A 122 9.022 -13.829 -13.005 1.00 0.00 C ATOM 1867 CD2 TYR A 122 9.718 -14.581 -10.808 1.00 0.00 C ATOM 1868 CE1 TYR A 122 9.835 -12.696 -12.876 1.00 0.00 C ATOM 1869 CE2 TYR A 122 10.531 -13.449 -10.678 1.00 0.00 C ATOM 1870 CZ TYR A 122 10.590 -12.506 -11.712 1.00 0.00 C ATOM 1871 OH TYR A 122 11.391 -11.390 -11.583 1.00 0.00 O ATOM 0 H TYR A 122 6.112 -15.566 -13.742 1.00 0.00 H new ATOM 0 HA TYR A 122 9.013 -16.214 -14.046 1.00 0.00 H new ATOM 0 HB2 TYR A 122 7.077 -15.766 -11.765 1.00 0.00 H new ATOM 0 HB3 TYR A 122 8.465 -16.798 -11.484 1.00 0.00 H new ATOM 0 HD1 TYR A 122 8.440 -13.976 -13.903 1.00 0.00 H new ATOM 0 HD2 TYR A 122 9.673 -15.308 -10.010 1.00 0.00 H new ATOM 0 HE1 TYR A 122 9.880 -11.969 -13.674 1.00 0.00 H new ATOM 0 HE2 TYR A 122 11.113 -13.303 -9.780 1.00 0.00 H new ATOM 0 HH TYR A 122 11.845 -11.412 -10.715 1.00 0.00 H new ATOM 1881 N GLN A 123 6.830 -18.339 -14.443 1.00 0.00 N ATOM 1882 CA GLN A 123 6.520 -19.793 -14.557 1.00 0.00 C ATOM 1883 C GLN A 123 7.351 -20.409 -15.685 1.00 0.00 C ATOM 1884 O GLN A 123 6.872 -21.225 -16.447 1.00 0.00 O ATOM 1885 CB GLN A 123 5.032 -19.973 -14.864 1.00 0.00 C ATOM 1886 CG GLN A 123 4.223 -19.844 -13.572 1.00 0.00 C ATOM 1887 CD GLN A 123 2.731 -19.931 -13.893 1.00 0.00 C ATOM 1888 OE1 GLN A 123 1.912 -19.373 -13.189 1.00 0.00 O ATOM 1889 NE2 GLN A 123 2.339 -20.615 -14.933 1.00 0.00 N ATOM 0 H GLN A 123 6.252 -17.725 -15.017 1.00 0.00 H new ATOM 0 HA GLN A 123 6.762 -20.289 -13.617 1.00 0.00 H new ATOM 0 HB2 GLN A 123 4.706 -19.224 -15.586 1.00 0.00 H new ATOM 0 HB3 GLN A 123 4.859 -20.949 -15.317 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.502 -20.634 -12.875 1.00 0.00 H new ATOM 0 HG3 GLN A 123 4.446 -18.895 -13.084 1.00 0.00 H new ATOM 0 HE21 GLN A 123 3.026 -21.083 -15.524 1.00 0.00 H new ATOM 0 HE22 GLN A 123 1.346 -20.681 -15.155 1.00 0.00 H new ATOM 1898 N GLU A 124 8.594 -20.026 -15.796 1.00 0.00 N ATOM 1899 CA GLU A 124 9.454 -20.592 -16.874 1.00 0.00 C ATOM 1900 C GLU A 124 10.834 -19.933 -16.825 1.00 0.00 C ATOM 1901 O GLU A 124 10.931 -18.778 -17.206 1.00 0.00 O ATOM 1902 CB GLU A 124 8.806 -20.324 -18.235 1.00 0.00 C ATOM 1903 CG GLU A 124 9.735 -20.814 -19.347 1.00 0.00 C ATOM 1904 CD GLU A 124 8.968 -20.866 -20.670 1.00 0.00 C ATOM 1905 OE1 GLU A 124 8.377 -21.897 -20.950 1.00 0.00 O ATOM 1906 OE2 GLU A 124 8.982 -19.874 -21.381 1.00 0.00 O ATOM 1907 OXT GLU A 124 11.770 -20.594 -16.407 1.00 0.00 O ATOM 0 H GLU A 124 9.051 -19.346 -15.188 1.00 0.00 H new ATOM 0 HA GLU A 124 9.561 -21.667 -16.728 1.00 0.00 H new ATOM 0 HB2 GLU A 124 7.845 -20.834 -18.299 1.00 0.00 H new ATOM 0 HB3 GLU A 124 8.610 -19.258 -18.353 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.593 -20.148 -19.438 1.00 0.00 H new ATOM 0 HG3 GLU A 124 10.124 -21.802 -19.101 1.00 0.00 H new TER 1914 GLU A 124