USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 873 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 111 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 142 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 118 SER OG : rot 55:sc= 0.0897 USER MOD Set 2.2: A 134 HIS : no HD1:sc= 0 X(o=0.09,f=0.086) USER MOD Set 3.1: A 81 GLN : amide:sc= 0 X(o=0.052,f=0.052) USER MOD Set 3.2: A 130 TYR OH : rot 25:sc= 0.0519 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= 0.74 (180deg=0.707) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -120:sc= -0.0104 USER MOD Single : A 57 SER OG : rot 27:sc= 0.078 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -123:sc= 1.73 (180deg=-1!) USER MOD Single : A 64 GLN : amide:sc= -0.007 X(o=-0.007,f=-0.14) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 102 SER OG : rot -79:sc= 0.67 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 176:sc= 1.01 USER MOD Single : A 119 LYS NZ :NH3+ -140:sc= 1.15 (180deg=0.857) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 180:sc= -2.23 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 138 CYS SG : rot -26:sc= -0.276 USER MOD Single : A 144 LYS NZ :NH3+ -179:sc= 0.661 (180deg=0.658) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N GLU A 35 -4.482 22.900 -0.016 1.00 0.00 N ATOM 43 CA GLU A 35 -3.501 22.455 -1.049 1.00 0.00 C ATOM 44 C GLU A 35 -3.699 21.003 -1.608 1.00 0.00 C ATOM 45 O GLU A 35 -4.024 20.852 -2.788 1.00 0.00 O ATOM 46 CB GLU A 35 -2.096 22.765 -0.457 1.00 0.00 C ATOM 47 CG GLU A 35 -0.904 22.616 -1.435 1.00 0.00 C ATOM 48 CD GLU A 35 0.445 22.873 -0.781 1.00 0.00 C ATOM 49 OE1 GLU A 35 0.865 22.059 0.071 1.00 0.00 O ATOM 50 OE2 GLU A 35 1.105 23.868 -1.131 1.00 0.00 O ATOM 0 HA GLU A 35 -3.656 23.009 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.101 23.785 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.928 22.105 0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.911 21.610 -1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.035 23.309 -2.266 1.00 0.00 H new ATOM 57 N TRP A 36 -3.491 19.972 -0.769 1.00 0.00 N ATOM 58 CA TRP A 36 -3.688 18.539 -1.124 1.00 0.00 C ATOM 59 C TRP A 36 -3.940 17.715 0.174 1.00 0.00 C ATOM 60 O TRP A 36 -3.351 17.969 1.232 1.00 0.00 O ATOM 61 CB TRP A 36 -2.473 17.935 -1.906 1.00 0.00 C ATOM 62 CG TRP A 36 -2.526 17.890 -3.444 1.00 0.00 C ATOM 63 CD1 TRP A 36 -3.603 18.233 -4.293 1.00 0.00 C ATOM 64 CD2 TRP A 36 -1.538 17.416 -4.295 1.00 0.00 C ATOM 65 NE1 TRP A 36 -3.307 18.007 -5.646 1.00 0.00 N ATOM 66 CE2 TRP A 36 -2.028 17.482 -5.625 1.00 0.00 C ATOM 67 CE3 TRP A 36 -0.236 16.913 -4.038 1.00 0.00 C ATOM 68 CZ2 TRP A 36 -1.227 17.036 -6.703 1.00 0.00 C ATOM 69 CZ3 TRP A 36 0.543 16.497 -5.118 1.00 0.00 C ATOM 70 CH2 TRP A 36 0.055 16.555 -6.429 1.00 0.00 C ATOM 0 H TRP A 36 -3.176 20.104 0.192 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.552 18.484 -1.786 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.585 18.501 -1.623 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.327 16.915 -1.551 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.546 18.624 -3.941 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.898 18.188 -6.457 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.143 16.854 -3.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.599 17.067 -7.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.541 16.123 -4.940 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.681 16.222 -7.243 1.00 0.00 H new ATOM 81 N LEU A 37 -4.778 16.665 0.045 1.00 0.00 N ATOM 82 CA LEU A 37 -5.054 15.703 1.147 1.00 0.00 C ATOM 83 C LEU A 37 -3.849 14.739 1.371 1.00 0.00 C ATOM 84 O LEU A 37 -3.263 14.208 0.424 1.00 0.00 O ATOM 85 CB LEU A 37 -6.371 14.933 0.825 1.00 0.00 C ATOM 86 CG LEU A 37 -6.919 13.966 1.917 1.00 0.00 C ATOM 87 CD1 LEU A 37 -7.320 14.677 3.227 1.00 0.00 C ATOM 88 CD2 LEU A 37 -8.111 13.155 1.379 1.00 0.00 C ATOM 0 H LEU A 37 -5.282 16.456 -0.817 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.186 16.246 2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.146 15.667 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.211 14.357 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.094 13.296 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.692 13.942 3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.451 15.183 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.101 15.409 3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.478 12.487 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.908 13.835 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.793 12.568 0.518 1.00 0.00 H new ATOM 100 N ASP A 38 -3.509 14.524 2.649 1.00 0.00 N ATOM 101 CA ASP A 38 -2.407 13.619 3.072 1.00 0.00 C ATOM 102 C ASP A 38 -2.798 12.095 3.166 1.00 0.00 C ATOM 103 O ASP A 38 -3.906 11.649 2.820 1.00 0.00 O ATOM 104 CB ASP A 38 -1.777 14.252 4.349 1.00 0.00 C ATOM 105 CG ASP A 38 -2.664 14.291 5.595 1.00 0.00 C ATOM 106 OD1 ASP A 38 -2.820 13.238 6.250 1.00 0.00 O ATOM 107 OD2 ASP A 38 -3.219 15.367 5.900 1.00 0.00 O ATOM 0 H ASP A 38 -3.988 14.971 3.431 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.644 13.557 2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.869 13.700 4.592 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.475 15.272 4.112 1.00 0.00 H new ATOM 112 N ILE A 39 -1.801 11.295 3.585 1.00 0.00 N ATOM 113 CA ILE A 39 -1.937 9.830 3.822 1.00 0.00 C ATOM 114 C ILE A 39 -1.611 9.614 5.335 1.00 0.00 C ATOM 115 O ILE A 39 -2.535 9.403 6.126 1.00 0.00 O ATOM 116 CB ILE A 39 -1.097 9.027 2.760 1.00 0.00 C ATOM 117 CG1 ILE A 39 -1.731 9.102 1.337 1.00 0.00 C ATOM 118 CG2 ILE A 39 -0.888 7.541 3.141 1.00 0.00 C ATOM 119 CD1 ILE A 39 -0.773 8.829 0.172 1.00 0.00 C ATOM 0 H ILE A 39 -0.861 11.644 3.774 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.937 9.428 3.661 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.122 9.514 2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.551 8.386 1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.165 10.093 1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.302 7.046 2.367 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.359 7.480 4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.856 7.049 3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.315 8.906 -0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.035 9.560 0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.357 7.826 0.270 1.00 0.00 H new ATOM 131 N LEU A 40 -0.323 9.683 5.732 1.00 0.00 N ATOM 132 CA LEU A 40 0.110 9.595 7.156 1.00 0.00 C ATOM 133 C LEU A 40 -0.139 10.869 8.024 1.00 0.00 C ATOM 134 O LEU A 40 -0.493 10.734 9.199 1.00 0.00 O ATOM 135 CB LEU A 40 1.577 9.072 7.255 1.00 0.00 C ATOM 136 CG LEU A 40 2.779 9.982 6.855 1.00 0.00 C ATOM 137 CD1 LEU A 40 4.115 9.330 7.266 1.00 0.00 C ATOM 138 CD2 LEU A 40 2.833 10.331 5.354 1.00 0.00 C ATOM 0 H LEU A 40 0.452 9.801 5.079 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.556 8.862 7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.738 8.765 8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.638 8.173 6.642 1.00 0.00 H new ATOM 0 HG LEU A 40 2.623 10.916 7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.941 9.980 6.978 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.130 9.181 8.346 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.219 8.368 6.765 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.697 10.966 5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.917 9.414 4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.923 10.860 5.070 1.00 0.00 H new ATOM 150 N GLY A 41 0.082 12.073 7.465 1.00 0.00 N ATOM 151 CA GLY A 41 0.105 13.342 8.225 1.00 0.00 C ATOM 152 C GLY A 41 1.530 13.920 8.292 1.00 0.00 C ATOM 153 O GLY A 41 2.133 13.941 9.369 1.00 0.00 O ATOM 0 H GLY A 41 0.251 12.196 6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.562 14.064 7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.270 13.172 9.234 1.00 0.00 H new ATOM 157 N ASN A 42 2.059 14.365 7.136 1.00 0.00 N ATOM 158 CA ASN A 42 3.466 14.830 7.007 1.00 0.00 C ATOM 159 C ASN A 42 3.574 15.975 5.954 1.00 0.00 C ATOM 160 O ASN A 42 3.948 17.090 6.329 1.00 0.00 O ATOM 161 CB ASN A 42 4.413 13.620 6.738 1.00 0.00 C ATOM 162 CG ASN A 42 5.927 13.922 6.749 1.00 0.00 C ATOM 163 OD1 ASN A 42 6.437 14.663 7.590 1.00 0.00 O ATOM 164 ND2 ASN A 42 6.678 13.338 5.829 1.00 0.00 N ATOM 0 H ASN A 42 1.531 14.415 6.265 1.00 0.00 H new ATOM 0 HA ASN A 42 3.799 15.268 7.948 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.211 12.854 7.487 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.156 13.193 5.769 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.685 13.501 5.814 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.250 12.725 5.135 1.00 0.00 H new ATOM 171 N GLY A 43 3.307 15.699 4.661 1.00 0.00 N ATOM 172 CA GLY A 43 3.701 16.604 3.552 1.00 0.00 C ATOM 173 C GLY A 43 4.283 15.875 2.320 1.00 0.00 C ATOM 174 O GLY A 43 3.862 16.146 1.192 1.00 0.00 O ATOM 0 H GLY A 43 2.820 14.857 4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.830 17.181 3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.439 17.315 3.922 1.00 0.00 H new ATOM 178 N LEU A 44 5.268 14.982 2.534 1.00 0.00 N ATOM 179 CA LEU A 44 5.966 14.234 1.453 1.00 0.00 C ATOM 180 C LEU A 44 5.072 13.196 0.705 1.00 0.00 C ATOM 181 O LEU A 44 4.938 13.299 -0.519 1.00 0.00 O ATOM 182 CB LEU A 44 7.259 13.589 2.035 1.00 0.00 C ATOM 183 CG LEU A 44 8.372 14.542 2.562 1.00 0.00 C ATOM 184 CD1 LEU A 44 9.510 13.734 3.215 1.00 0.00 C ATOM 185 CD2 LEU A 44 8.948 15.473 1.475 1.00 0.00 C ATOM 0 H LEU A 44 5.610 14.752 3.467 1.00 0.00 H new ATOM 0 HA LEU A 44 6.230 14.954 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.966 12.931 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.697 12.959 1.261 1.00 0.00 H new ATOM 0 HG LEU A 44 7.895 15.181 3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.279 14.416 3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.114 13.157 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.944 13.056 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.718 16.109 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.383 14.873 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.150 16.095 1.069 1.00 0.00 H new ATOM 197 N LEU A 45 4.459 12.229 1.420 1.00 0.00 N ATOM 198 CA LEU A 45 3.511 11.253 0.822 1.00 0.00 C ATOM 199 C LEU A 45 2.061 11.816 0.935 1.00 0.00 C ATOM 200 O LEU A 45 1.516 11.958 2.036 1.00 0.00 O ATOM 201 CB LEU A 45 3.718 9.876 1.516 1.00 0.00 C ATOM 202 CG LEU A 45 2.820 8.703 1.036 1.00 0.00 C ATOM 203 CD1 LEU A 45 3.049 8.315 -0.439 1.00 0.00 C ATOM 204 CD2 LEU A 45 2.968 7.468 1.938 1.00 0.00 C ATOM 0 H LEU A 45 4.603 12.099 2.421 1.00 0.00 H new ATOM 0 HA LEU A 45 3.694 11.100 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.759 9.582 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.559 10.009 2.586 1.00 0.00 H new ATOM 0 HG LEU A 45 1.798 9.076 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.388 7.490 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.835 9.172 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.086 8.009 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.324 6.669 1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.005 7.132 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.680 7.725 2.957 1.00 0.00 H new ATOM 216 N ARG A 46 1.468 12.138 -0.229 1.00 0.00 N ATOM 217 CA ARG A 46 0.105 12.733 -0.337 1.00 0.00 C ATOM 218 C ARG A 46 -0.745 12.017 -1.433 1.00 0.00 C ATOM 219 O ARG A 46 -0.228 11.597 -2.471 1.00 0.00 O ATOM 220 CB ARG A 46 0.231 14.237 -0.708 1.00 0.00 C ATOM 221 CG ARG A 46 0.622 15.202 0.436 1.00 0.00 C ATOM 222 CD ARG A 46 0.831 16.611 -0.137 1.00 0.00 C ATOM 223 NE ARG A 46 0.941 17.654 0.913 1.00 0.00 N ATOM 224 CZ ARG A 46 0.995 18.962 0.660 1.00 0.00 C ATOM 225 NH1 ARG A 46 1.032 19.475 -0.542 1.00 0.00 N ATOM 226 NH2 ARG A 46 1.010 19.809 1.643 1.00 0.00 N ATOM 0 H ARG A 46 1.917 11.995 -1.134 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.394 12.611 0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.972 14.331 -1.502 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.722 14.567 -1.121 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.159 15.218 1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.534 14.856 0.923 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.735 16.619 -0.746 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.000 16.855 -0.798 1.00 0.00 H new ATOM 0 HE ARG A 46 0.977 17.352 1.887 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.020 18.863 -1.358 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.073 20.487 -0.664 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.981 19.473 2.606 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.051 20.810 1.453 1.00 0.00 H new ATOM 240 N LYS A 47 -2.073 11.957 -1.232 1.00 0.00 N ATOM 241 CA LYS A 47 -3.040 11.547 -2.289 1.00 0.00 C ATOM 242 C LYS A 47 -3.881 12.761 -2.798 1.00 0.00 C ATOM 243 O LYS A 47 -4.530 13.459 -2.014 1.00 0.00 O ATOM 244 CB LYS A 47 -3.907 10.354 -1.803 1.00 0.00 C ATOM 245 CG LYS A 47 -4.846 10.571 -0.591 1.00 0.00 C ATOM 246 CD LYS A 47 -5.616 9.282 -0.223 1.00 0.00 C ATOM 247 CE LYS A 47 -6.616 9.426 0.935 1.00 0.00 C ATOM 248 NZ LYS A 47 -5.921 9.664 2.238 1.00 0.00 N ATOM 0 H LYS A 47 -2.513 12.188 -0.341 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.482 11.193 -3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.519 10.025 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.234 9.532 -1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.261 10.902 0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.556 11.366 -0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.154 8.935 -1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.894 8.508 0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.296 10.253 0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.224 8.524 1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.624 9.890 2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.397 8.809 2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.258 10.459 2.138 1.00 0.00 H new ATOM 262 N LYS A 48 -3.914 12.989 -4.123 1.00 0.00 N ATOM 263 CA LYS A 48 -4.791 14.022 -4.751 1.00 0.00 C ATOM 264 C LYS A 48 -6.332 13.847 -4.524 1.00 0.00 C ATOM 265 O LYS A 48 -7.012 14.848 -4.283 1.00 0.00 O ATOM 266 CB LYS A 48 -4.383 14.113 -6.251 1.00 0.00 C ATOM 267 CG LYS A 48 -5.039 15.246 -7.083 1.00 0.00 C ATOM 268 CD LYS A 48 -6.338 14.831 -7.810 1.00 0.00 C ATOM 269 CE LYS A 48 -6.998 16.020 -8.528 1.00 0.00 C ATOM 270 NZ LYS A 48 -8.271 15.578 -9.161 1.00 0.00 N ATOM 0 H LYS A 48 -3.343 12.473 -4.793 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.620 14.972 -4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.301 14.235 -6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.619 13.161 -6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.258 16.085 -6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.321 15.601 -7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.114 14.048 -8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.038 14.408 -7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.193 16.824 -7.818 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.324 16.420 -9.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.716 16.383 -9.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.073 14.825 -9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.915 15.216 -8.429 1.00 0.00 H new ATOM 284 N THR A 49 -6.865 12.608 -4.637 1.00 0.00 N ATOM 285 CA THR A 49 -8.288 12.269 -4.346 1.00 0.00 C ATOM 286 C THR A 49 -9.233 12.800 -5.465 1.00 0.00 C ATOM 287 O THR A 49 -9.661 13.958 -5.441 1.00 0.00 O ATOM 288 CB THR A 49 -8.743 12.595 -2.888 1.00 0.00 C ATOM 289 OG1 THR A 49 -7.799 12.061 -1.966 1.00 0.00 O ATOM 290 CG2 THR A 49 -10.118 12.019 -2.509 1.00 0.00 C ATOM 0 H THR A 49 -6.316 11.802 -4.936 1.00 0.00 H new ATOM 0 HA THR A 49 -8.367 11.182 -4.374 1.00 0.00 H new ATOM 0 HB THR A 49 -8.812 13.682 -2.843 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.245 11.418 -1.377 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.356 12.292 -1.481 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.878 12.423 -3.177 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.095 10.933 -2.600 1.00 0.00 H new ATOM 298 N LEU A 50 -9.558 11.916 -6.422 1.00 0.00 N ATOM 299 CA LEU A 50 -10.534 12.191 -7.508 1.00 0.00 C ATOM 300 C LEU A 50 -11.991 11.949 -6.997 1.00 0.00 C ATOM 301 O LEU A 50 -12.757 12.911 -6.905 1.00 0.00 O ATOM 302 CB LEU A 50 -10.210 11.374 -8.797 1.00 0.00 C ATOM 303 CG LEU A 50 -8.920 11.725 -9.596 1.00 0.00 C ATOM 304 CD1 LEU A 50 -7.617 11.190 -8.961 1.00 0.00 C ATOM 305 CD2 LEU A 50 -9.021 11.205 -11.045 1.00 0.00 C ATOM 0 H LEU A 50 -9.152 10.981 -6.471 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.452 13.241 -7.790 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.150 10.322 -8.516 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.057 11.475 -9.475 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.860 12.813 -9.578 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.766 11.478 -9.579 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.499 11.611 -7.963 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.665 10.103 -8.893 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.110 11.460 -11.587 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.146 10.122 -11.035 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.878 11.665 -11.538 1.00 0.00 H new ATOM 317 N VAL A 51 -12.357 10.690 -6.661 1.00 0.00 N ATOM 318 CA VAL A 51 -13.698 10.332 -6.119 1.00 0.00 C ATOM 319 C VAL A 51 -13.437 9.691 -4.711 1.00 0.00 C ATOM 320 O VAL A 51 -12.890 8.581 -4.681 1.00 0.00 O ATOM 321 CB VAL A 51 -14.492 9.381 -7.086 1.00 0.00 C ATOM 322 CG1 VAL A 51 -15.867 8.952 -6.513 1.00 0.00 C ATOM 323 CG2 VAL A 51 -14.733 9.987 -8.490 1.00 0.00 C ATOM 0 H VAL A 51 -11.733 9.889 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 51 -14.336 11.211 -6.026 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.842 8.511 -7.180 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -16.369 8.296 -7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -15.720 8.422 -5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.480 9.836 -6.339 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -15.286 9.276 -9.103 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -15.308 10.908 -8.395 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.775 10.204 -8.962 1.00 0.00 H new ATOM 333 N PRO A 52 -13.833 10.291 -3.546 1.00 0.00 N ATOM 334 CA PRO A 52 -13.664 9.654 -2.211 1.00 0.00 C ATOM 335 C PRO A 52 -14.811 8.653 -1.860 1.00 0.00 C ATOM 336 O PRO A 52 -15.739 8.975 -1.109 1.00 0.00 O ATOM 337 CB PRO A 52 -13.584 10.890 -1.291 1.00 0.00 C ATOM 338 CG PRO A 52 -14.448 11.959 -1.966 1.00 0.00 C ATOM 339 CD PRO A 52 -14.283 11.695 -3.464 1.00 0.00 C ATOM 0 HA PRO A 52 -12.790 9.008 -2.128 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.954 10.660 -0.292 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.554 11.230 -1.180 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -15.491 11.877 -1.661 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.116 12.963 -1.701 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.221 11.843 -3.999 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.553 12.372 -3.908 1.00 0.00 H new ATOM 347 N GLY A 53 -14.735 7.434 -2.426 1.00 0.00 N ATOM 348 CA GLY A 53 -15.725 6.365 -2.171 1.00 0.00 C ATOM 349 C GLY A 53 -17.085 6.470 -2.929 1.00 0.00 C ATOM 350 O GLY A 53 -17.453 7.570 -3.357 1.00 0.00 O ATOM 0 H GLY A 53 -13.992 7.161 -3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.267 5.410 -2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.933 6.343 -1.101 1.00 0.00 H new ATOM 354 N PRO A 54 -17.888 5.375 -3.069 1.00 0.00 N ATOM 355 CA PRO A 54 -19.245 5.429 -3.686 1.00 0.00 C ATOM 356 C PRO A 54 -20.363 6.017 -2.747 1.00 0.00 C ATOM 357 O PRO A 54 -20.105 6.173 -1.548 1.00 0.00 O ATOM 358 CB PRO A 54 -19.472 3.937 -4.022 1.00 0.00 C ATOM 359 CG PRO A 54 -18.723 3.154 -2.945 1.00 0.00 C ATOM 360 CD PRO A 54 -17.490 4.011 -2.662 1.00 0.00 C ATOM 0 HA PRO A 54 -19.302 6.105 -4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -20.534 3.692 -4.018 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -19.093 3.697 -5.016 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -19.332 3.021 -2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -18.447 2.159 -3.293 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.215 3.975 -1.608 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -16.626 3.664 -3.229 1.00 0.00 H new ATOM 368 N PRO A 55 -21.616 6.322 -3.210 1.00 0.00 N ATOM 369 CA PRO A 55 -22.718 6.790 -2.323 1.00 0.00 C ATOM 370 C PRO A 55 -23.222 5.656 -1.375 1.00 0.00 C ATOM 371 O PRO A 55 -23.802 4.660 -1.824 1.00 0.00 O ATOM 372 CB PRO A 55 -23.767 7.298 -3.331 1.00 0.00 C ATOM 373 CG PRO A 55 -23.510 6.522 -4.624 1.00 0.00 C ATOM 374 CD PRO A 55 -21.998 6.289 -4.637 1.00 0.00 C ATOM 0 HA PRO A 55 -22.428 7.570 -1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -24.779 7.124 -2.964 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -23.667 8.371 -3.492 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -24.057 5.579 -4.636 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -23.832 7.089 -5.498 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -21.746 5.333 -5.095 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -21.481 7.061 -5.206 1.00 0.00 H new ATOM 382 N GLY A 56 -22.891 5.791 -0.078 1.00 0.00 N ATOM 383 CA GLY A 56 -22.884 4.652 0.871 1.00 0.00 C ATOM 384 C GLY A 56 -21.552 3.875 0.792 1.00 0.00 C ATOM 385 O GLY A 56 -21.466 2.884 0.061 1.00 0.00 O ATOM 0 H GLY A 56 -22.623 6.681 0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -23.036 5.019 1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -23.714 3.982 0.647 1.00 0.00 H new ATOM 389 N SER A 57 -20.520 4.362 1.506 1.00 0.00 N ATOM 390 CA SER A 57 -19.118 3.909 1.310 1.00 0.00 C ATOM 391 C SER A 57 -18.682 2.881 2.393 1.00 0.00 C ATOM 392 O SER A 57 -18.741 3.167 3.595 1.00 0.00 O ATOM 393 CB SER A 57 -18.192 5.145 1.247 1.00 0.00 C ATOM 394 OG SER A 57 -18.080 5.823 2.496 1.00 0.00 O ATOM 0 H SER A 57 -20.626 5.073 2.229 1.00 0.00 H new ATOM 0 HA SER A 57 -19.041 3.375 0.363 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.200 4.833 0.920 1.00 0.00 H new ATOM 0 HB3 SER A 57 -18.572 5.838 0.497 1.00 0.00 H new ATOM 0 HG SER A 57 -18.240 5.190 3.227 1.00 0.00 H new ATOM 400 N SER A 58 -18.234 1.692 1.948 1.00 0.00 N ATOM 401 CA SER A 58 -17.806 0.588 2.852 1.00 0.00 C ATOM 402 C SER A 58 -16.280 0.630 3.150 1.00 0.00 C ATOM 403 O SER A 58 -15.462 0.864 2.254 1.00 0.00 O ATOM 404 CB SER A 58 -18.222 -0.774 2.249 1.00 0.00 C ATOM 405 OG SER A 58 -17.603 -1.027 0.990 1.00 0.00 O ATOM 0 H SER A 58 -18.156 1.462 0.957 1.00 0.00 H new ATOM 0 HA SER A 58 -18.311 0.722 3.809 1.00 0.00 H new ATOM 0 HB2 SER A 58 -17.960 -1.571 2.945 1.00 0.00 H new ATOM 0 HB3 SER A 58 -19.305 -0.799 2.129 1.00 0.00 H new ATOM 0 HG SER A 58 -17.895 -1.899 0.651 1.00 0.00 H new ATOM 411 N ARG A 59 -15.923 0.371 4.421 1.00 0.00 N ATOM 412 CA ARG A 59 -14.509 0.363 4.897 1.00 0.00 C ATOM 413 C ARG A 59 -14.086 -1.095 5.309 1.00 0.00 C ATOM 414 O ARG A 59 -14.538 -1.549 6.369 1.00 0.00 O ATOM 415 CB ARG A 59 -14.347 1.376 6.070 1.00 0.00 C ATOM 416 CG ARG A 59 -14.378 2.871 5.663 1.00 0.00 C ATOM 417 CD ARG A 59 -13.046 3.383 5.080 1.00 0.00 C ATOM 418 NE ARG A 59 -13.287 4.684 4.410 1.00 0.00 N ATOM 419 CZ ARG A 59 -12.790 5.868 4.740 1.00 0.00 C ATOM 420 NH1 ARG A 59 -12.103 6.089 5.832 1.00 0.00 N ATOM 421 NH2 ARG A 59 -13.005 6.861 3.928 1.00 0.00 N ATOM 0 H ARG A 59 -16.600 0.160 5.155 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.844 0.677 4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.141 1.197 6.795 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.403 1.174 6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.168 3.022 4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.637 3.471 6.536 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -12.306 3.498 5.872 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -12.643 2.661 4.370 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.908 4.666 3.601 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.924 5.326 6.485 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.747 7.024 6.030 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.540 6.713 3.072 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.639 7.787 4.147 1.00 0.00 H new ATOM 435 N PRO A 60 -13.231 -1.850 4.551 1.00 0.00 N ATOM 436 CA PRO A 60 -12.845 -3.245 4.908 1.00 0.00 C ATOM 437 C PRO A 60 -11.799 -3.353 6.063 1.00 0.00 C ATOM 438 O PRO A 60 -10.917 -2.502 6.217 1.00 0.00 O ATOM 439 CB PRO A 60 -12.307 -3.790 3.568 1.00 0.00 C ATOM 440 CG PRO A 60 -11.809 -2.572 2.796 1.00 0.00 C ATOM 441 CD PRO A 60 -12.733 -1.437 3.224 1.00 0.00 C ATOM 0 HA PRO A 60 -13.683 -3.812 5.314 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.501 -4.506 3.732 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -13.089 -4.311 3.015 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.770 -2.349 3.037 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.858 -2.738 1.720 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -12.199 -0.488 3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -13.551 -1.302 2.517 1.00 0.00 H new ATOM 449 N VAL A 61 -11.906 -4.445 6.845 1.00 0.00 N ATOM 450 CA VAL A 61 -10.985 -4.752 7.985 1.00 0.00 C ATOM 451 C VAL A 61 -9.529 -5.081 7.510 1.00 0.00 C ATOM 452 O VAL A 61 -9.343 -5.637 6.422 1.00 0.00 O ATOM 453 CB VAL A 61 -11.574 -5.883 8.907 1.00 0.00 C ATOM 454 CG1 VAL A 61 -12.860 -5.450 9.651 1.00 0.00 C ATOM 455 CG2 VAL A 61 -11.833 -7.246 8.216 1.00 0.00 C ATOM 0 H VAL A 61 -12.632 -5.149 6.713 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.910 -3.845 8.585 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.765 -6.037 9.621 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -13.217 -6.273 10.270 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -12.642 -4.589 10.283 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.628 -5.183 8.925 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.238 -7.951 8.942 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.547 -7.112 7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.897 -7.635 7.816 1.00 0.00 H new ATOM 465 N LYS A 62 -8.512 -4.728 8.329 1.00 0.00 N ATOM 466 CA LYS A 62 -7.078 -4.834 7.936 1.00 0.00 C ATOM 467 C LYS A 62 -6.495 -6.290 7.941 1.00 0.00 C ATOM 468 O LYS A 62 -5.834 -6.745 8.887 1.00 0.00 O ATOM 469 CB LYS A 62 -6.295 -3.824 8.817 1.00 0.00 C ATOM 470 CG LYS A 62 -4.796 -3.678 8.454 1.00 0.00 C ATOM 471 CD LYS A 62 -3.805 -4.251 9.501 1.00 0.00 C ATOM 472 CE LYS A 62 -2.585 -4.966 8.880 1.00 0.00 C ATOM 473 NZ LYS A 62 -2.905 -6.378 8.524 1.00 0.00 N ATOM 0 H LYS A 62 -8.654 -4.365 9.272 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.970 -4.573 6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.771 -2.847 8.737 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.374 -4.133 9.859 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.619 -4.175 7.500 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.575 -2.621 8.308 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.453 -3.439 10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.336 -4.952 10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.261 -4.429 7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.753 -4.946 9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.243 -7.017 9.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.878 -6.598 8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.818 -6.505 7.495 1.00 0.00 H new ATOM 487 N GLY A 63 -6.693 -6.955 6.802 1.00 0.00 N ATOM 488 CA GLY A 63 -6.104 -8.275 6.494 1.00 0.00 C ATOM 489 C GLY A 63 -7.036 -9.138 5.623 1.00 0.00 C ATOM 490 O GLY A 63 -7.462 -10.212 6.058 1.00 0.00 O ATOM 0 H GLY A 63 -7.277 -6.591 6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.154 -8.136 5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.888 -8.801 7.424 1.00 0.00 H new ATOM 494 N GLN A 64 -7.330 -8.671 4.393 1.00 0.00 N ATOM 495 CA GLN A 64 -8.217 -9.377 3.431 1.00 0.00 C ATOM 496 C GLN A 64 -7.717 -9.170 1.972 1.00 0.00 C ATOM 497 O GLN A 64 -6.930 -8.266 1.670 1.00 0.00 O ATOM 498 CB GLN A 64 -9.708 -9.014 3.664 1.00 0.00 C ATOM 499 CG GLN A 64 -10.166 -7.562 3.390 1.00 0.00 C ATOM 500 CD GLN A 64 -11.648 -7.372 3.734 1.00 0.00 C ATOM 501 OE1 GLN A 64 -12.007 -7.027 4.859 1.00 0.00 O ATOM 502 NE2 GLN A 64 -12.542 -7.615 2.791 1.00 0.00 N ATOM 0 H GLN A 64 -6.961 -7.791 4.032 1.00 0.00 H new ATOM 0 HA GLN A 64 -8.162 -10.451 3.610 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.311 -9.675 3.041 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.948 -9.247 4.702 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -9.562 -6.871 3.978 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.000 -7.318 2.341 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.237 -7.901 1.861 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.537 -7.517 2.994 1.00 0.00 H new ATOM 511 N VAL A 65 -8.183 -10.035 1.053 1.00 0.00 N ATOM 512 CA VAL A 65 -7.664 -10.094 -0.343 1.00 0.00 C ATOM 513 C VAL A 65 -8.232 -8.879 -1.146 1.00 0.00 C ATOM 514 O VAL A 65 -9.426 -8.827 -1.459 1.00 0.00 O ATOM 515 CB VAL A 65 -7.964 -11.475 -1.023 1.00 0.00 C ATOM 516 CG1 VAL A 65 -7.395 -11.566 -2.459 1.00 0.00 C ATOM 517 CG2 VAL A 65 -7.416 -12.685 -0.229 1.00 0.00 C ATOM 0 H VAL A 65 -8.923 -10.710 1.245 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.577 -10.017 -0.330 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.053 -11.523 -1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.631 -12.542 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.839 -10.785 -3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.313 -11.435 -2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.659 -13.607 -0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.334 -12.597 -0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.868 -12.704 0.763 1.00 0.00 H new ATOM 527 N VAL A 66 -7.338 -7.925 -1.456 1.00 0.00 N ATOM 528 CA VAL A 66 -7.680 -6.675 -2.183 1.00 0.00 C ATOM 529 C VAL A 66 -7.038 -6.742 -3.595 1.00 0.00 C ATOM 530 O VAL A 66 -5.813 -6.684 -3.749 1.00 0.00 O ATOM 531 CB VAL A 66 -7.316 -5.366 -1.398 1.00 0.00 C ATOM 532 CG1 VAL A 66 -8.343 -5.077 -0.285 1.00 0.00 C ATOM 533 CG2 VAL A 66 -5.879 -5.276 -0.826 1.00 0.00 C ATOM 0 H VAL A 66 -6.350 -7.993 -1.211 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.764 -6.613 -2.282 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.354 -4.597 -2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.063 -4.164 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.332 -4.953 -0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.361 -5.909 0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.753 -4.326 -0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.714 -6.096 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.158 -5.343 -1.641 1.00 0.00 H new ATOM 543 N THR A 67 -7.906 -6.845 -4.617 1.00 0.00 N ATOM 544 CA THR A 67 -7.511 -6.773 -6.047 1.00 0.00 C ATOM 545 C THR A 67 -7.669 -5.285 -6.474 1.00 0.00 C ATOM 546 O THR A 67 -8.792 -4.787 -6.602 1.00 0.00 O ATOM 547 CB THR A 67 -8.394 -7.749 -6.877 1.00 0.00 C ATOM 548 OG1 THR A 67 -8.283 -9.075 -6.367 1.00 0.00 O ATOM 549 CG2 THR A 67 -8.025 -7.808 -8.365 1.00 0.00 C ATOM 0 H THR A 67 -8.908 -6.981 -4.480 1.00 0.00 H new ATOM 0 HA THR A 67 -6.480 -7.082 -6.218 1.00 0.00 H new ATOM 0 HB THR A 67 -9.407 -7.358 -6.787 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.845 -9.678 -6.898 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.685 -8.509 -8.876 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.136 -6.818 -8.807 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.992 -8.139 -8.471 1.00 0.00 H new ATOM 557 N VAL A 68 -6.533 -4.587 -6.649 1.00 0.00 N ATOM 558 CA VAL A 68 -6.514 -3.113 -6.876 1.00 0.00 C ATOM 559 C VAL A 68 -6.056 -2.816 -8.331 1.00 0.00 C ATOM 560 O VAL A 68 -5.023 -3.316 -8.791 1.00 0.00 O ATOM 561 CB VAL A 68 -5.659 -2.333 -5.812 1.00 0.00 C ATOM 562 CG1 VAL A 68 -6.239 -2.442 -4.388 1.00 0.00 C ATOM 563 CG2 VAL A 68 -4.151 -2.667 -5.774 1.00 0.00 C ATOM 0 H VAL A 68 -5.607 -5.014 -6.639 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.531 -2.742 -6.744 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.732 -1.306 -6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.609 -1.885 -3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.248 -2.029 -4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.271 -3.489 -4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.665 -2.069 -5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.018 -3.725 -5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.704 -2.443 -6.743 1.00 0.00 H new ATOM 573 N HIS A 69 -6.801 -1.925 -9.013 1.00 0.00 N ATOM 574 CA HIS A 69 -6.356 -1.294 -10.280 1.00 0.00 C ATOM 575 C HIS A 69 -5.276 -0.227 -9.959 1.00 0.00 C ATOM 576 O HIS A 69 -5.559 0.785 -9.311 1.00 0.00 O ATOM 577 CB HIS A 69 -7.581 -0.698 -11.018 1.00 0.00 C ATOM 578 CG HIS A 69 -7.279 -0.087 -12.388 1.00 0.00 C ATOM 579 ND1 HIS A 69 -7.193 1.269 -12.637 1.00 0.00 N ATOM 580 CD2 HIS A 69 -6.991 -0.808 -13.558 1.00 0.00 C ATOM 581 CE1 HIS A 69 -6.851 1.241 -13.960 1.00 0.00 C ATOM 582 NE2 HIS A 69 -6.697 0.043 -14.615 1.00 0.00 N ATOM 0 H HIS A 69 -7.725 -1.620 -8.707 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.907 -2.031 -10.946 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -8.327 -1.483 -11.144 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -8.029 0.069 -10.386 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.997 -1.886 -13.627 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -6.701 2.167 -14.495 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.444 -0.159 -15.582 1.00 0.00 H new ATOM 590 N LEU A 70 -4.041 -0.512 -10.398 1.00 0.00 N ATOM 591 CA LEU A 70 -2.844 0.242 -9.969 1.00 0.00 C ATOM 592 C LEU A 70 -2.037 0.610 -11.235 1.00 0.00 C ATOM 593 O LEU A 70 -1.366 -0.246 -11.821 1.00 0.00 O ATOM 594 CB LEU A 70 -2.077 -0.623 -8.925 1.00 0.00 C ATOM 595 CG LEU A 70 -0.846 -0.016 -8.197 1.00 0.00 C ATOM 596 CD1 LEU A 70 0.450 -0.091 -9.022 1.00 0.00 C ATOM 597 CD2 LEU A 70 -1.096 1.404 -7.662 1.00 0.00 C ATOM 0 H LEU A 70 -3.840 -1.265 -11.056 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.077 1.183 -9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.793 -0.927 -8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.745 -1.530 -9.430 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.697 -0.656 -7.328 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.269 0.350 -8.454 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.681 -1.133 -9.242 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.319 0.457 -9.955 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.197 1.769 -7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.347 2.066 -8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.922 1.385 -6.951 1.00 0.00 H new ATOM 609 N GLN A 71 -2.092 1.894 -11.630 1.00 0.00 N ATOM 610 CA GLN A 71 -1.335 2.410 -12.803 1.00 0.00 C ATOM 611 C GLN A 71 -0.043 3.084 -12.270 1.00 0.00 C ATOM 612 O GLN A 71 -0.078 4.230 -11.807 1.00 0.00 O ATOM 613 CB GLN A 71 -2.169 3.404 -13.661 1.00 0.00 C ATOM 614 CG GLN A 71 -3.541 2.900 -14.164 1.00 0.00 C ATOM 615 CD GLN A 71 -4.281 3.917 -15.046 1.00 0.00 C ATOM 616 OE1 GLN A 71 -4.900 4.857 -14.549 1.00 0.00 O ATOM 617 NE2 GLN A 71 -4.250 3.747 -16.360 1.00 0.00 N ATOM 0 H GLN A 71 -2.653 2.603 -11.157 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.093 1.579 -13.466 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.332 4.308 -13.074 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.573 3.690 -14.527 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -3.396 1.979 -14.728 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -4.166 2.653 -13.306 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.734 2.964 -16.761 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.743 4.399 -16.970 1.00 0.00 H new ATOM 626 N THR A 72 1.103 2.375 -12.349 1.00 0.00 N ATOM 627 CA THR A 72 2.427 2.947 -11.973 1.00 0.00 C ATOM 628 C THR A 72 2.915 3.822 -13.161 1.00 0.00 C ATOM 629 O THR A 72 3.180 3.314 -14.255 1.00 0.00 O ATOM 630 CB THR A 72 3.461 1.846 -11.586 1.00 0.00 C ATOM 631 OG1 THR A 72 2.929 0.990 -10.584 1.00 0.00 O ATOM 632 CG2 THR A 72 4.794 2.389 -11.040 1.00 0.00 C ATOM 0 H THR A 72 1.145 1.407 -12.668 1.00 0.00 H new ATOM 0 HA THR A 72 2.324 3.561 -11.078 1.00 0.00 H new ATOM 0 HB THR A 72 3.659 1.320 -12.520 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.590 0.304 -10.355 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.454 1.556 -10.796 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.267 3.018 -11.794 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.607 2.978 -10.142 1.00 0.00 H new ATOM 640 N SER A 73 2.971 5.141 -12.923 1.00 0.00 N ATOM 641 CA SER A 73 3.208 6.147 -13.985 1.00 0.00 C ATOM 642 C SER A 73 4.234 7.204 -13.505 1.00 0.00 C ATOM 643 O SER A 73 4.294 7.573 -12.328 1.00 0.00 O ATOM 644 CB SER A 73 1.847 6.781 -14.372 1.00 0.00 C ATOM 645 OG SER A 73 1.981 7.660 -15.482 1.00 0.00 O ATOM 0 H SER A 73 2.854 5.546 -11.994 1.00 0.00 H new ATOM 0 HA SER A 73 3.636 5.677 -14.870 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.133 5.994 -14.613 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.443 7.328 -13.520 1.00 0.00 H new ATOM 0 HG SER A 73 1.106 8.043 -15.704 1.00 0.00 H new ATOM 651 N LEU A 74 4.999 7.736 -14.474 1.00 0.00 N ATOM 652 CA LEU A 74 5.910 8.895 -14.280 1.00 0.00 C ATOM 653 C LEU A 74 5.151 10.166 -13.788 1.00 0.00 C ATOM 654 O LEU A 74 4.026 10.441 -14.223 1.00 0.00 O ATOM 655 CB LEU A 74 6.635 9.133 -15.640 1.00 0.00 C ATOM 656 CG LEU A 74 7.764 10.203 -15.684 1.00 0.00 C ATOM 657 CD1 LEU A 74 9.000 9.810 -14.848 1.00 0.00 C ATOM 658 CD2 LEU A 74 8.180 10.499 -17.138 1.00 0.00 C ATOM 0 H LEU A 74 5.008 7.374 -15.428 1.00 0.00 H new ATOM 0 HA LEU A 74 6.635 8.680 -13.495 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.061 8.183 -15.963 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.881 9.411 -16.377 1.00 0.00 H new ATOM 0 HG LEU A 74 7.349 11.105 -15.235 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.752 10.596 -14.919 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.708 9.680 -13.806 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.414 8.876 -15.228 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.970 11.250 -17.145 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.544 9.584 -17.606 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.320 10.873 -17.694 1.00 0.00 H new ATOM 670 N GLU A 75 5.799 10.929 -12.889 1.00 0.00 N ATOM 671 CA GLU A 75 5.244 12.193 -12.310 1.00 0.00 C ATOM 672 C GLU A 75 4.659 13.255 -13.308 1.00 0.00 C ATOM 673 O GLU A 75 3.608 13.843 -13.024 1.00 0.00 O ATOM 674 CB GLU A 75 6.358 12.782 -11.401 1.00 0.00 C ATOM 675 CG GLU A 75 5.877 13.830 -10.366 1.00 0.00 C ATOM 676 CD GLU A 75 6.986 14.353 -9.468 1.00 0.00 C ATOM 677 OE1 GLU A 75 7.770 15.213 -9.922 1.00 0.00 O ATOM 678 OE2 GLU A 75 7.065 13.917 -8.301 1.00 0.00 O ATOM 0 H GLU A 75 6.727 10.696 -12.534 1.00 0.00 H new ATOM 0 HA GLU A 75 4.342 11.927 -11.759 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.841 11.963 -10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.117 13.242 -12.034 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.423 14.668 -10.895 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.099 13.385 -9.746 1.00 0.00 H new ATOM 685 N ASN A 76 5.303 13.445 -14.480 1.00 0.00 N ATOM 686 CA ASN A 76 4.737 14.230 -15.615 1.00 0.00 C ATOM 687 C ASN A 76 3.476 13.541 -16.231 1.00 0.00 C ATOM 688 O ASN A 76 2.375 14.081 -16.082 1.00 0.00 O ATOM 689 CB ASN A 76 5.839 14.525 -16.675 1.00 0.00 C ATOM 690 CG ASN A 76 6.978 15.459 -16.214 1.00 0.00 C ATOM 691 OD1 ASN A 76 6.785 16.661 -16.035 1.00 0.00 O ATOM 692 ND2 ASN A 76 8.176 14.931 -16.014 1.00 0.00 N ATOM 0 H ASN A 76 6.229 13.062 -14.673 1.00 0.00 H new ATOM 0 HA ASN A 76 4.391 15.189 -15.228 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.276 13.578 -16.991 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.365 14.966 -17.552 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.949 15.522 -15.709 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.325 13.933 -16.165 1.00 0.00 H new ATOM 699 N GLY A 77 3.622 12.363 -16.874 1.00 0.00 N ATOM 700 CA GLY A 77 2.468 11.565 -17.342 1.00 0.00 C ATOM 701 C GLY A 77 2.860 10.587 -18.461 1.00 0.00 C ATOM 702 O GLY A 77 2.605 10.867 -19.636 1.00 0.00 O ATOM 0 H GLY A 77 4.528 11.943 -17.081 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.049 11.008 -16.504 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.687 12.234 -17.703 1.00 0.00 H new ATOM 706 N THR A 78 3.463 9.445 -18.086 1.00 0.00 N ATOM 707 CA THR A 78 3.848 8.370 -19.041 1.00 0.00 C ATOM 708 C THR A 78 3.788 7.049 -18.227 1.00 0.00 C ATOM 709 O THR A 78 4.610 6.842 -17.328 1.00 0.00 O ATOM 710 CB THR A 78 5.259 8.601 -19.677 1.00 0.00 C ATOM 711 OG1 THR A 78 5.331 9.880 -20.299 1.00 0.00 O ATOM 712 CG2 THR A 78 5.628 7.562 -20.753 1.00 0.00 C ATOM 0 H THR A 78 3.700 9.234 -17.117 1.00 0.00 H new ATOM 0 HA THR A 78 3.169 8.349 -19.894 1.00 0.00 H new ATOM 0 HB THR A 78 5.957 8.514 -18.845 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.222 10.005 -20.689 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.619 7.785 -21.149 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.630 6.566 -20.311 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.897 7.600 -21.561 1.00 0.00 H new ATOM 720 N ARG A 79 2.839 6.150 -18.559 1.00 0.00 N ATOM 721 CA ARG A 79 2.653 4.866 -17.822 1.00 0.00 C ATOM 722 C ARG A 79 3.826 3.852 -18.031 1.00 0.00 C ATOM 723 O ARG A 79 3.920 3.167 -19.059 1.00 0.00 O ATOM 724 CB ARG A 79 1.232 4.286 -18.084 1.00 0.00 C ATOM 725 CG ARG A 79 0.829 3.912 -19.545 1.00 0.00 C ATOM 726 CD ARG A 79 0.503 2.425 -19.810 1.00 0.00 C ATOM 727 NE ARG A 79 1.753 1.632 -19.694 1.00 0.00 N ATOM 728 CZ ARG A 79 1.876 0.316 -19.820 1.00 0.00 C ATOM 729 NH1 ARG A 79 0.886 -0.479 -20.141 1.00 0.00 N ATOM 730 NH2 ARG A 79 3.050 -0.203 -19.611 1.00 0.00 N ATOM 0 H ARG A 79 2.186 6.282 -19.331 1.00 0.00 H new ATOM 0 HA ARG A 79 2.704 5.081 -16.755 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.123 3.390 -17.472 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.507 5.012 -17.717 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.041 4.507 -19.822 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.641 4.207 -20.209 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.238 2.068 -19.095 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.071 2.305 -20.803 1.00 0.00 H new ATOM 0 HE ARG A 79 2.607 2.153 -19.497 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.043 -0.094 -20.310 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.044 -1.483 -20.222 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.836 0.397 -19.360 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.185 -1.210 -19.698 1.00 0.00 H new ATOM 744 N VAL A 80 4.712 3.754 -17.023 1.00 0.00 N ATOM 745 CA VAL A 80 5.851 2.785 -17.022 1.00 0.00 C ATOM 746 C VAL A 80 5.415 1.289 -16.872 1.00 0.00 C ATOM 747 O VAL A 80 5.913 0.439 -17.616 1.00 0.00 O ATOM 748 CB VAL A 80 6.999 3.200 -16.033 1.00 0.00 C ATOM 749 CG1 VAL A 80 7.711 4.503 -16.463 1.00 0.00 C ATOM 750 CG2 VAL A 80 6.607 3.302 -14.539 1.00 0.00 C ATOM 0 H VAL A 80 4.669 4.335 -16.186 1.00 0.00 H new ATOM 0 HA VAL A 80 6.278 2.845 -18.023 1.00 0.00 H new ATOM 0 HB VAL A 80 7.684 2.356 -16.108 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.495 4.743 -15.745 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.153 4.368 -17.450 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.988 5.318 -16.498 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.478 3.595 -13.953 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.822 4.048 -14.419 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.245 2.335 -14.191 1.00 0.00 H new ATOM 760 N GLN A 81 4.503 0.984 -15.930 1.00 0.00 N ATOM 761 CA GLN A 81 4.017 -0.391 -15.665 1.00 0.00 C ATOM 762 C GLN A 81 2.522 -0.263 -15.273 1.00 0.00 C ATOM 763 O GLN A 81 2.206 0.135 -14.147 1.00 0.00 O ATOM 764 CB GLN A 81 4.883 -1.048 -14.550 1.00 0.00 C ATOM 765 CG GLN A 81 4.555 -2.531 -14.268 1.00 0.00 C ATOM 766 CD GLN A 81 5.351 -3.108 -13.086 1.00 0.00 C ATOM 767 OE1 GLN A 81 4.959 -2.970 -11.927 1.00 0.00 O ATOM 768 NE2 GLN A 81 6.472 -3.764 -13.347 1.00 0.00 N ATOM 0 H GLN A 81 4.077 1.687 -15.325 1.00 0.00 H new ATOM 0 HA GLN A 81 4.105 -1.040 -16.536 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.933 -0.969 -14.831 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.756 -0.480 -13.628 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.489 -2.629 -14.063 1.00 0.00 H new ATOM 0 HG3 GLN A 81 4.764 -3.120 -15.161 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.787 -3.872 -14.311 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.020 -4.161 -12.584 1.00 0.00 H new ATOM 777 N GLU A 82 1.601 -0.643 -16.181 1.00 0.00 N ATOM 778 CA GLU A 82 0.161 -0.797 -15.821 1.00 0.00 C ATOM 779 C GLU A 82 -0.080 -2.216 -15.208 1.00 0.00 C ATOM 780 O GLU A 82 0.280 -3.243 -15.797 1.00 0.00 O ATOM 781 CB GLU A 82 -0.746 -0.486 -17.045 1.00 0.00 C ATOM 782 CG GLU A 82 -2.126 0.146 -16.720 1.00 0.00 C ATOM 783 CD GLU A 82 -3.089 -0.670 -15.868 1.00 0.00 C ATOM 784 OE1 GLU A 82 -2.982 -0.610 -14.624 1.00 0.00 O ATOM 785 OE2 GLU A 82 -3.958 -1.359 -16.438 1.00 0.00 O ATOM 0 H GLU A 82 1.815 -0.848 -17.157 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.113 -0.071 -15.055 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.207 0.188 -17.711 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.912 -1.412 -17.595 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.951 1.095 -16.214 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.622 0.375 -17.663 1.00 0.00 H new ATOM 792 N GLU A 83 -0.644 -2.236 -13.995 1.00 0.00 N ATOM 793 CA GLU A 83 -0.762 -3.462 -13.164 1.00 0.00 C ATOM 794 C GLU A 83 -2.249 -3.581 -12.661 1.00 0.00 C ATOM 795 O GLU A 83 -2.519 -3.232 -11.504 1.00 0.00 O ATOM 796 CB GLU A 83 0.341 -3.345 -12.070 1.00 0.00 C ATOM 797 CG GLU A 83 0.616 -4.628 -11.246 1.00 0.00 C ATOM 798 CD GLU A 83 1.882 -4.547 -10.402 1.00 0.00 C ATOM 799 OE1 GLU A 83 1.874 -3.855 -9.362 1.00 0.00 O ATOM 800 OE2 GLU A 83 2.891 -5.180 -10.778 1.00 0.00 O ATOM 0 H GLU A 83 -1.036 -1.405 -13.552 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.583 -4.400 -13.690 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.270 -3.039 -12.550 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.060 -2.548 -11.382 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.235 -4.821 -10.593 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.695 -5.477 -11.925 1.00 0.00 H new ATOM 807 N PRO A 84 -3.246 -4.045 -13.482 1.00 0.00 N ATOM 808 CA PRO A 84 -4.687 -4.011 -13.110 1.00 0.00 C ATOM 809 C PRO A 84 -5.144 -5.017 -12.010 1.00 0.00 C ATOM 810 O PRO A 84 -5.891 -4.619 -11.115 1.00 0.00 O ATOM 811 CB PRO A 84 -5.396 -4.206 -14.467 1.00 0.00 C ATOM 812 CG PRO A 84 -4.406 -4.988 -15.330 1.00 0.00 C ATOM 813 CD PRO A 84 -3.036 -4.483 -14.878 1.00 0.00 C ATOM 0 HA PRO A 84 -4.941 -3.076 -12.611 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.331 -4.753 -14.347 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.644 -3.247 -14.923 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.505 -6.062 -15.176 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.569 -4.802 -16.392 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -2.283 -5.269 -14.939 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.689 -3.661 -15.504 1.00 0.00 H new ATOM 821 N GLU A 85 -4.712 -6.292 -12.065 1.00 0.00 N ATOM 822 CA GLU A 85 -5.013 -7.309 -11.018 1.00 0.00 C ATOM 823 C GLU A 85 -3.783 -7.470 -10.067 1.00 0.00 C ATOM 824 O GLU A 85 -2.965 -8.386 -10.224 1.00 0.00 O ATOM 825 CB GLU A 85 -5.489 -8.621 -11.728 1.00 0.00 C ATOM 826 CG GLU A 85 -7.021 -8.895 -11.763 1.00 0.00 C ATOM 827 CD GLU A 85 -7.964 -7.762 -12.150 1.00 0.00 C ATOM 828 OE1 GLU A 85 -7.723 -7.045 -13.142 1.00 0.00 O ATOM 829 OE2 GLU A 85 -8.964 -7.550 -11.439 1.00 0.00 O ATOM 0 H GLU A 85 -4.145 -6.653 -12.832 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.830 -7.001 -10.365 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.126 -8.600 -12.756 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.006 -9.465 -11.237 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.193 -9.718 -12.457 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.316 -9.245 -10.774 1.00 0.00 H new ATOM 836 N LEU A 86 -3.683 -6.566 -9.068 1.00 0.00 N ATOM 837 CA LEU A 86 -2.624 -6.605 -8.021 1.00 0.00 C ATOM 838 C LEU A 86 -3.253 -7.211 -6.737 1.00 0.00 C ATOM 839 O LEU A 86 -3.947 -6.522 -5.983 1.00 0.00 O ATOM 840 CB LEU A 86 -2.031 -5.177 -7.832 1.00 0.00 C ATOM 841 CG LEU A 86 -0.958 -4.969 -6.721 1.00 0.00 C ATOM 842 CD1 LEU A 86 0.269 -5.893 -6.848 1.00 0.00 C ATOM 843 CD2 LEU A 86 -0.499 -3.499 -6.670 1.00 0.00 C ATOM 0 H LEU A 86 -4.332 -5.786 -8.960 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.782 -7.238 -8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.592 -4.870 -8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.858 -4.497 -7.628 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.454 -5.239 -5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.967 -5.684 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.052 -6.933 -6.792 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.761 -5.716 -7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.250 -3.379 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.067 -3.219 -7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.354 -2.858 -6.456 1.00 0.00 H new ATOM 855 N VAL A 87 -3.015 -8.517 -6.532 1.00 0.00 N ATOM 856 CA VAL A 87 -3.771 -9.345 -5.551 1.00 0.00 C ATOM 857 C VAL A 87 -2.844 -9.545 -4.312 1.00 0.00 C ATOM 858 O VAL A 87 -1.820 -10.231 -4.401 1.00 0.00 O ATOM 859 CB VAL A 87 -4.223 -10.692 -6.226 1.00 0.00 C ATOM 860 CG1 VAL A 87 -5.024 -11.601 -5.269 1.00 0.00 C ATOM 861 CG2 VAL A 87 -5.069 -10.515 -7.514 1.00 0.00 C ATOM 0 H VAL A 87 -2.296 -9.037 -7.036 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.690 -8.861 -5.220 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.274 -11.158 -6.493 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -5.309 -12.515 -5.789 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.408 -11.852 -4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.921 -11.078 -4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.336 -11.494 -7.911 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.977 -9.959 -7.280 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.490 -9.968 -8.257 1.00 0.00 H new ATOM 871 N PHE A 88 -3.208 -8.932 -3.168 1.00 0.00 N ATOM 872 CA PHE A 88 -2.370 -8.947 -1.931 1.00 0.00 C ATOM 873 C PHE A 88 -3.238 -8.772 -0.640 1.00 0.00 C ATOM 874 O PHE A 88 -4.397 -8.351 -0.691 1.00 0.00 O ATOM 875 CB PHE A 88 -1.184 -7.928 -2.036 1.00 0.00 C ATOM 876 CG PHE A 88 -1.521 -6.432 -1.859 1.00 0.00 C ATOM 877 CD1 PHE A 88 -2.176 -5.718 -2.868 1.00 0.00 C ATOM 878 CD2 PHE A 88 -1.248 -5.801 -0.640 1.00 0.00 C ATOM 879 CE1 PHE A 88 -2.581 -4.406 -2.647 1.00 0.00 C ATOM 880 CE2 PHE A 88 -1.667 -4.493 -0.417 1.00 0.00 C ATOM 881 CZ PHE A 88 -2.335 -3.799 -1.420 1.00 0.00 C ATOM 0 H PHE A 88 -4.081 -8.415 -3.065 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.912 -9.932 -1.841 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.440 -8.198 -1.287 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.715 -8.055 -3.011 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.368 -6.187 -3.822 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.710 -6.332 0.131 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.087 -3.858 -3.428 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -1.474 -4.018 0.533 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.664 -2.785 -1.246 1.00 0.00 H new ATOM 891 N THR A 89 -2.635 -9.057 0.533 1.00 0.00 N ATOM 892 CA THR A 89 -3.312 -8.916 1.857 1.00 0.00 C ATOM 893 C THR A 89 -3.260 -7.427 2.341 1.00 0.00 C ATOM 894 O THR A 89 -2.226 -6.759 2.249 1.00 0.00 O ATOM 895 CB THR A 89 -2.690 -9.919 2.876 1.00 0.00 C ATOM 896 OG1 THR A 89 -2.683 -11.239 2.336 1.00 0.00 O ATOM 897 CG2 THR A 89 -3.456 -10.009 4.206 1.00 0.00 C ATOM 0 H THR A 89 -1.673 -9.389 0.599 1.00 0.00 H new ATOM 0 HA THR A 89 -4.368 -9.170 1.766 1.00 0.00 H new ATOM 0 HB THR A 89 -1.687 -9.536 3.064 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.288 -11.856 2.987 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.963 -10.726 4.862 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.470 -9.030 4.685 1.00 0.00 H new ATOM 0 HG23 THR A 89 -4.479 -10.335 4.016 1.00 0.00 H new ATOM 905 N LEU A 90 -4.400 -6.929 2.859 1.00 0.00 N ATOM 906 CA LEU A 90 -4.666 -5.473 3.059 1.00 0.00 C ATOM 907 C LEU A 90 -3.773 -4.843 4.165 1.00 0.00 C ATOM 908 O LEU A 90 -3.902 -5.189 5.342 1.00 0.00 O ATOM 909 CB LEU A 90 -6.182 -5.308 3.388 1.00 0.00 C ATOM 910 CG LEU A 90 -6.838 -3.923 3.142 1.00 0.00 C ATOM 911 CD1 LEU A 90 -8.372 -4.054 3.160 1.00 0.00 C ATOM 912 CD2 LEU A 90 -6.456 -2.814 4.144 1.00 0.00 C ATOM 0 H LEU A 90 -5.174 -7.523 3.156 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.412 -4.935 2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.732 -6.046 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.325 -5.562 4.438 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.451 -3.616 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.823 -3.077 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.688 -4.743 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.693 -4.435 4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.970 -1.891 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.749 -3.116 5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.379 -2.651 4.113 1.00 0.00 H new ATOM 924 N GLY A 91 -2.878 -3.919 3.767 1.00 0.00 N ATOM 925 CA GLY A 91 -1.916 -3.273 4.699 1.00 0.00 C ATOM 926 C GLY A 91 -0.785 -4.141 5.289 1.00 0.00 C ATOM 927 O GLY A 91 -0.401 -3.925 6.441 1.00 0.00 O ATOM 0 H GLY A 91 -2.796 -3.598 2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.455 -2.435 4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.485 -2.856 5.530 1.00 0.00 H new ATOM 931 N ASP A 92 -0.263 -5.101 4.511 1.00 0.00 N ATOM 932 CA ASP A 92 0.730 -6.101 4.987 1.00 0.00 C ATOM 933 C ASP A 92 1.963 -6.129 4.028 1.00 0.00 C ATOM 934 O ASP A 92 1.976 -5.527 2.942 1.00 0.00 O ATOM 935 CB ASP A 92 0.019 -7.478 5.159 1.00 0.00 C ATOM 936 CG ASP A 92 -0.968 -7.522 6.327 1.00 0.00 C ATOM 937 OD1 ASP A 92 -0.542 -7.768 7.474 1.00 0.00 O ATOM 938 OD2 ASP A 92 -2.174 -7.246 6.142 1.00 0.00 O ATOM 0 H ASP A 92 -0.513 -5.214 3.529 1.00 0.00 H new ATOM 0 HA ASP A 92 1.127 -5.829 5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.511 -7.720 4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.774 -8.251 5.304 1.00 0.00 H new ATOM 943 N CYS A 93 3.029 -6.823 4.470 1.00 0.00 N ATOM 944 CA CYS A 93 4.363 -6.741 3.823 1.00 0.00 C ATOM 945 C CYS A 93 4.446 -7.535 2.483 1.00 0.00 C ATOM 946 O CYS A 93 4.780 -8.723 2.433 1.00 0.00 O ATOM 947 CB CYS A 93 5.431 -7.168 4.849 1.00 0.00 C ATOM 948 SG CYS A 93 7.093 -6.918 4.150 1.00 0.00 S ATOM 0 H CYS A 93 2.997 -7.450 5.274 1.00 0.00 H new ATOM 0 HA CYS A 93 4.550 -5.709 3.526 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.321 -6.588 5.765 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.293 -8.216 5.117 1.00 0.00 H new ATOM 0 HG CYS A 93 7.989 -7.278 5.021 1.00 0.00 H new ATOM 954 N ASP A 94 4.114 -6.813 1.404 1.00 0.00 N ATOM 955 CA ASP A 94 4.087 -7.331 0.008 1.00 0.00 C ATOM 956 C ASP A 94 4.432 -6.145 -0.955 1.00 0.00 C ATOM 957 O ASP A 94 5.513 -6.119 -1.556 1.00 0.00 O ATOM 958 CB ASP A 94 2.717 -8.030 -0.245 1.00 0.00 C ATOM 959 CG ASP A 94 2.599 -8.735 -1.590 1.00 0.00 C ATOM 960 OD1 ASP A 94 2.170 -8.087 -2.569 1.00 0.00 O ATOM 961 OD2 ASP A 94 2.934 -9.935 -1.673 1.00 0.00 O ATOM 0 H ASP A 94 3.849 -5.830 1.467 1.00 0.00 H new ATOM 0 HA ASP A 94 4.837 -8.100 -0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.545 -8.758 0.548 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.925 -7.284 -0.171 1.00 0.00 H new ATOM 966 N VAL A 95 3.526 -5.148 -1.041 1.00 0.00 N ATOM 967 CA VAL A 95 3.707 -3.908 -1.845 1.00 0.00 C ATOM 968 C VAL A 95 4.724 -2.905 -1.202 1.00 0.00 C ATOM 969 O VAL A 95 5.076 -2.994 -0.020 1.00 0.00 O ATOM 970 CB VAL A 95 2.308 -3.248 -2.134 1.00 0.00 C ATOM 971 CG1 VAL A 95 1.432 -4.078 -3.096 1.00 0.00 C ATOM 972 CG2 VAL A 95 1.491 -2.852 -0.877 1.00 0.00 C ATOM 0 H VAL A 95 2.633 -5.177 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 95 4.156 -4.190 -2.797 1.00 0.00 H new ATOM 0 HB VAL A 95 2.581 -2.315 -2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.481 -3.568 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.946 -4.191 -4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.249 -5.062 -2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.545 -2.406 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.296 -3.740 -0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.057 -2.131 -0.287 1.00 0.00 H new ATOM 982 N ILE A 96 5.161 -1.925 -2.015 1.00 0.00 N ATOM 983 CA ILE A 96 6.060 -0.813 -1.585 1.00 0.00 C ATOM 984 C ILE A 96 5.468 0.078 -0.441 1.00 0.00 C ATOM 985 O ILE A 96 4.253 0.104 -0.218 1.00 0.00 O ATOM 986 CB ILE A 96 6.533 0.043 -2.820 1.00 0.00 C ATOM 987 CG1 ILE A 96 5.461 0.870 -3.598 1.00 0.00 C ATOM 988 CG2 ILE A 96 7.467 -0.731 -3.780 1.00 0.00 C ATOM 989 CD1 ILE A 96 4.426 0.119 -4.451 1.00 0.00 C ATOM 0 H ILE A 96 4.903 -1.873 -3.000 1.00 0.00 H new ATOM 0 HA ILE A 96 6.937 -1.287 -1.144 1.00 0.00 H new ATOM 0 HB ILE A 96 7.110 0.818 -2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.916 1.472 -2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.989 1.563 -4.253 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.755 -0.083 -4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.359 -1.050 -3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.946 -1.606 -4.168 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.755 0.836 -4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 96 4.939 -0.460 -5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.849 -0.552 -3.815 1.00 0.00 H new ATOM 1001 N GLN A 97 6.350 0.808 0.270 1.00 0.00 N ATOM 1002 CA GLN A 97 5.965 1.687 1.418 1.00 0.00 C ATOM 1003 C GLN A 97 4.904 2.811 1.153 1.00 0.00 C ATOM 1004 O GLN A 97 4.142 3.139 2.068 1.00 0.00 O ATOM 1005 CB GLN A 97 7.246 2.271 2.096 1.00 0.00 C ATOM 1006 CG GLN A 97 7.363 2.055 3.624 1.00 0.00 C ATOM 1007 CD GLN A 97 6.351 2.831 4.485 1.00 0.00 C ATOM 1008 OE1 GLN A 97 6.363 4.060 4.537 1.00 0.00 O ATOM 1009 NE2 GLN A 97 5.470 2.138 5.191 1.00 0.00 N ATOM 0 H GLN A 97 7.351 0.813 0.074 1.00 0.00 H new ATOM 0 HA GLN A 97 5.430 1.015 2.089 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.120 1.828 1.618 1.00 0.00 H new ATOM 0 HB3 GLN A 97 7.282 3.342 1.897 1.00 0.00 H new ATOM 0 HG2 GLN A 97 7.249 0.991 3.832 1.00 0.00 H new ATOM 0 HG3 GLN A 97 8.369 2.335 3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 97 5.466 1.119 5.143 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.796 2.623 5.783 1.00 0.00 H new ATOM 1018 N ALA A 98 4.829 3.366 -0.077 1.00 0.00 N ATOM 1019 CA ALA A 98 3.730 4.278 -0.498 1.00 0.00 C ATOM 1020 C ALA A 98 2.302 3.650 -0.461 1.00 0.00 C ATOM 1021 O ALA A 98 1.401 4.253 0.126 1.00 0.00 O ATOM 1022 CB ALA A 98 4.060 4.853 -1.891 1.00 0.00 C ATOM 0 H ALA A 98 5.522 3.199 -0.806 1.00 0.00 H new ATOM 0 HA ALA A 98 3.684 5.076 0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.260 5.522 -2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.998 5.406 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.155 4.038 -2.608 1.00 0.00 H new ATOM 1028 N LEU A 99 2.114 2.443 -1.039 1.00 0.00 N ATOM 1029 CA LEU A 99 0.835 1.681 -0.952 1.00 0.00 C ATOM 1030 C LEU A 99 0.539 1.031 0.433 1.00 0.00 C ATOM 1031 O LEU A 99 -0.615 1.071 0.859 1.00 0.00 O ATOM 1032 CB LEU A 99 0.736 0.622 -2.085 1.00 0.00 C ATOM 1033 CG LEU A 99 0.767 1.127 -3.555 1.00 0.00 C ATOM 1034 CD1 LEU A 99 0.692 -0.064 -4.530 1.00 0.00 C ATOM 1035 CD2 LEU A 99 -0.344 2.147 -3.881 1.00 0.00 C ATOM 0 H LEU A 99 2.837 1.966 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 99 0.059 2.436 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.557 -0.084 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.190 0.064 -1.942 1.00 0.00 H new ATOM 0 HG LEU A 99 1.715 1.652 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.715 0.304 -5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.542 -0.725 -4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.234 -0.614 -4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.261 2.455 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.319 1.689 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.238 3.019 -3.235 1.00 0.00 H new ATOM 1047 N ASP A 100 1.542 0.480 1.156 1.00 0.00 N ATOM 1048 CA ASP A 100 1.415 0.054 2.587 1.00 0.00 C ATOM 1049 C ASP A 100 0.653 1.045 3.543 1.00 0.00 C ATOM 1050 O ASP A 100 -0.273 0.634 4.249 1.00 0.00 O ATOM 1051 CB ASP A 100 2.870 -0.248 3.043 1.00 0.00 C ATOM 1052 CG ASP A 100 3.041 -0.804 4.454 1.00 0.00 C ATOM 1053 OD1 ASP A 100 2.974 -0.011 5.418 1.00 0.00 O ATOM 1054 OD2 ASP A 100 3.254 -2.025 4.605 1.00 0.00 O ATOM 0 H ASP A 100 2.471 0.314 0.769 1.00 0.00 H new ATOM 0 HA ASP A 100 0.765 -0.818 2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.307 -0.959 2.341 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.449 0.672 2.967 1.00 0.00 H new ATOM 1059 N LEU A 101 1.016 2.343 3.499 1.00 0.00 N ATOM 1060 CA LEU A 101 0.271 3.429 4.189 1.00 0.00 C ATOM 1061 C LEU A 101 -1.101 3.797 3.528 1.00 0.00 C ATOM 1062 O LEU A 101 -2.082 3.934 4.266 1.00 0.00 O ATOM 1063 CB LEU A 101 1.198 4.668 4.346 1.00 0.00 C ATOM 1064 CG LEU A 101 2.429 4.512 5.290 1.00 0.00 C ATOM 1065 CD1 LEU A 101 3.420 5.672 5.094 1.00 0.00 C ATOM 1066 CD2 LEU A 101 2.042 4.410 6.780 1.00 0.00 C ATOM 0 H LEU A 101 1.833 2.673 2.986 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.007 3.052 5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.562 4.947 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.594 5.499 4.710 1.00 0.00 H new ATOM 0 HG LEU A 101 2.902 3.570 5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.270 5.541 5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.769 5.682 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.924 6.616 5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.943 4.303 7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.509 5.312 7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.400 3.542 6.931 1.00 0.00 H new ATOM 1078 N SER A 102 -1.189 3.952 2.184 1.00 0.00 N ATOM 1079 CA SER A 102 -2.456 4.336 1.480 1.00 0.00 C ATOM 1080 C SER A 102 -3.379 3.160 1.012 1.00 0.00 C ATOM 1081 O SER A 102 -3.901 3.162 -0.109 1.00 0.00 O ATOM 1082 CB SER A 102 -2.067 5.281 0.317 1.00 0.00 C ATOM 1083 OG SER A 102 -1.381 4.599 -0.729 1.00 0.00 O ATOM 0 H SER A 102 -0.397 3.818 1.555 1.00 0.00 H new ATOM 0 HA SER A 102 -3.094 4.835 2.210 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.966 5.747 -0.085 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.436 6.083 0.699 1.00 0.00 H new ATOM 0 HG SER A 102 -0.444 4.468 -0.475 1.00 0.00 H new ATOM 1089 N VAL A 103 -3.608 2.178 1.897 1.00 0.00 N ATOM 1090 CA VAL A 103 -4.464 0.982 1.646 1.00 0.00 C ATOM 1091 C VAL A 103 -5.360 0.773 2.924 1.00 0.00 C ATOM 1092 O VAL A 103 -6.577 0.785 2.716 1.00 0.00 O ATOM 1093 CB VAL A 103 -3.633 -0.247 1.124 1.00 0.00 C ATOM 1094 CG1 VAL A 103 -4.362 -1.606 1.206 1.00 0.00 C ATOM 1095 CG2 VAL A 103 -3.174 -0.068 -0.346 1.00 0.00 C ATOM 0 H VAL A 103 -3.199 2.182 2.832 1.00 0.00 H new ATOM 0 HA VAL A 103 -5.150 1.127 0.812 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.782 -0.267 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.710 -2.392 0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -4.618 -1.819 2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.273 -1.567 0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.604 -0.943 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.047 0.045 -0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.547 0.820 -0.426 1.00 0.00 H new ATOM 1105 N PRO A 104 -4.892 0.622 4.212 1.00 0.00 N ATOM 1106 CA PRO A 104 -5.780 0.616 5.412 1.00 0.00 C ATOM 1107 C PRO A 104 -6.283 2.045 5.801 1.00 0.00 C ATOM 1108 O PRO A 104 -5.709 2.736 6.647 1.00 0.00 O ATOM 1109 CB PRO A 104 -4.889 -0.071 6.467 1.00 0.00 C ATOM 1110 CG PRO A 104 -3.455 0.277 6.072 1.00 0.00 C ATOM 1111 CD PRO A 104 -3.487 0.316 4.545 1.00 0.00 C ATOM 0 HA PRO A 104 -6.725 0.092 5.269 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -5.119 0.288 7.470 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.045 -1.150 6.471 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -3.149 1.236 6.489 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -2.749 -0.469 6.437 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -2.812 1.077 4.153 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -3.176 -0.637 4.117 1.00 0.00 H new ATOM 1119 N LEU A 105 -7.357 2.448 5.105 1.00 0.00 N ATOM 1120 CA LEU A 105 -7.930 3.829 5.045 1.00 0.00 C ATOM 1121 C LEU A 105 -8.899 4.006 3.823 1.00 0.00 C ATOM 1122 O LEU A 105 -9.805 4.841 3.901 1.00 0.00 O ATOM 1123 CB LEU A 105 -6.961 5.053 5.183 1.00 0.00 C ATOM 1124 CG LEU A 105 -5.755 5.207 4.205 1.00 0.00 C ATOM 1125 CD1 LEU A 105 -6.142 5.830 2.848 1.00 0.00 C ATOM 1126 CD2 LEU A 105 -4.641 6.061 4.845 1.00 0.00 C ATOM 0 H LEU A 105 -7.889 1.793 4.532 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.484 3.871 5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.565 5.956 5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.557 5.034 6.195 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.399 4.195 4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.256 5.908 2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.883 5.200 2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.561 6.823 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.809 6.156 4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.032 7.051 5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.294 5.580 5.760 1.00 0.00 H new ATOM 1138 N MET A 106 -8.717 3.267 2.702 1.00 0.00 N ATOM 1139 CA MET A 106 -9.484 3.454 1.446 1.00 0.00 C ATOM 1140 C MET A 106 -10.900 2.824 1.529 1.00 0.00 C ATOM 1141 O MET A 106 -11.088 1.704 2.019 1.00 0.00 O ATOM 1142 CB MET A 106 -8.724 2.803 0.255 1.00 0.00 C ATOM 1143 CG MET A 106 -7.385 3.449 -0.140 1.00 0.00 C ATOM 1144 SD MET A 106 -7.646 5.149 -0.687 1.00 0.00 S ATOM 1145 CE MET A 106 -5.985 5.597 -1.222 1.00 0.00 C ATOM 0 H MET A 106 -8.028 2.518 2.644 1.00 0.00 H new ATOM 0 HA MET A 106 -9.589 4.528 1.294 1.00 0.00 H new ATOM 0 HB2 MET A 106 -8.539 1.757 0.499 1.00 0.00 H new ATOM 0 HB3 MET A 106 -9.379 2.816 -0.616 1.00 0.00 H new ATOM 0 HG2 MET A 106 -6.702 3.434 0.709 1.00 0.00 H new ATOM 0 HG3 MET A 106 -6.916 2.872 -0.937 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.985 6.624 -1.588 1.00 0.00 H new ATOM 0 HE2 MET A 106 -5.297 5.512 -0.381 1.00 0.00 H new ATOM 0 HE3 MET A 106 -5.667 4.927 -2.021 1.00 0.00 H new ATOM 1155 N ASP A 107 -11.871 3.542 0.949 1.00 0.00 N ATOM 1156 CA ASP A 107 -13.210 2.986 0.606 1.00 0.00 C ATOM 1157 C ASP A 107 -13.156 1.982 -0.599 1.00 0.00 C ATOM 1158 O ASP A 107 -12.217 1.998 -1.409 1.00 0.00 O ATOM 1159 CB ASP A 107 -14.161 4.177 0.297 1.00 0.00 C ATOM 1160 CG ASP A 107 -14.463 5.091 1.480 1.00 0.00 C ATOM 1161 OD1 ASP A 107 -15.090 4.621 2.451 1.00 0.00 O ATOM 1162 OD2 ASP A 107 -14.000 6.250 1.514 1.00 0.00 O ATOM 0 H ASP A 107 -11.762 4.525 0.700 1.00 0.00 H new ATOM 0 HA ASP A 107 -13.581 2.411 1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -13.721 4.775 -0.501 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -15.102 3.780 -0.085 1.00 0.00 H new ATOM 1167 N VAL A 108 -14.184 1.116 -0.734 1.00 0.00 N ATOM 1168 CA VAL A 108 -14.272 0.139 -1.867 1.00 0.00 C ATOM 1169 C VAL A 108 -14.775 0.926 -3.124 1.00 0.00 C ATOM 1170 O VAL A 108 -15.970 1.192 -3.269 1.00 0.00 O ATOM 1171 CB VAL A 108 -15.132 -1.129 -1.521 1.00 0.00 C ATOM 1172 CG1 VAL A 108 -15.151 -2.170 -2.669 1.00 0.00 C ATOM 1173 CG2 VAL A 108 -14.678 -1.857 -0.233 1.00 0.00 C ATOM 0 H VAL A 108 -14.966 1.065 -0.081 1.00 0.00 H new ATOM 0 HA VAL A 108 -13.289 -0.282 -2.078 1.00 0.00 H new ATOM 0 HB VAL A 108 -16.132 -0.725 -1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -15.760 -3.025 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -15.573 -1.715 -3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.134 -2.503 -2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -15.318 -2.722 -0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -13.645 -2.187 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -14.750 -1.176 0.615 1.00 0.00 H new ATOM 1183 N GLY A 109 -13.824 1.326 -3.983 1.00 0.00 N ATOM 1184 CA GLY A 109 -14.027 2.375 -5.011 1.00 0.00 C ATOM 1185 C GLY A 109 -13.504 3.791 -4.650 1.00 0.00 C ATOM 1186 O GLY A 109 -14.148 4.772 -5.033 1.00 0.00 O ATOM 0 H GLY A 109 -12.883 0.931 -3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -13.540 2.053 -5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -15.094 2.446 -5.223 1.00 0.00 H new ATOM 1190 N GLU A 110 -12.330 3.909 -3.988 1.00 0.00 N ATOM 1191 CA GLU A 110 -11.666 5.214 -3.713 1.00 0.00 C ATOM 1192 C GLU A 110 -10.608 5.492 -4.825 1.00 0.00 C ATOM 1193 O GLU A 110 -9.498 4.941 -4.810 1.00 0.00 O ATOM 1194 CB GLU A 110 -11.050 5.150 -2.282 1.00 0.00 C ATOM 1195 CG GLU A 110 -10.986 6.474 -1.478 1.00 0.00 C ATOM 1196 CD GLU A 110 -10.029 7.563 -1.948 1.00 0.00 C ATOM 1197 OE1 GLU A 110 -10.295 8.176 -3.002 1.00 0.00 O ATOM 1198 OE2 GLU A 110 -9.037 7.847 -1.236 1.00 0.00 O ATOM 0 H GLU A 110 -11.813 3.107 -3.628 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.372 6.045 -3.736 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -11.623 4.429 -1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -10.037 4.758 -2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -11.989 6.900 -1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -10.726 6.225 -0.449 1.00 0.00 H new ATOM 1205 N THR A 111 -10.989 6.336 -5.802 1.00 0.00 N ATOM 1206 CA THR A 111 -10.095 6.747 -6.920 1.00 0.00 C ATOM 1207 C THR A 111 -9.218 7.926 -6.409 1.00 0.00 C ATOM 1208 O THR A 111 -9.748 8.968 -6.013 1.00 0.00 O ATOM 1209 CB THR A 111 -10.926 7.117 -8.187 1.00 0.00 C ATOM 1210 OG1 THR A 111 -11.823 6.061 -8.522 1.00 0.00 O ATOM 1211 CG2 THR A 111 -10.072 7.379 -9.441 1.00 0.00 C ATOM 0 H THR A 111 -11.918 6.755 -5.846 1.00 0.00 H new ATOM 0 HA THR A 111 -9.445 5.926 -7.224 1.00 0.00 H new ATOM 0 HB THR A 111 -11.447 8.036 -7.917 1.00 0.00 H new ATOM 0 HG1 THR A 111 -12.338 6.309 -9.318 1.00 0.00 H new ATOM 0 HG21 THR A 111 -10.723 7.630 -10.279 1.00 0.00 H new ATOM 0 HG22 THR A 111 -9.390 8.208 -9.250 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.497 6.485 -9.683 1.00 0.00 H new ATOM 1219 N ALA A 112 -7.887 7.730 -6.378 1.00 0.00 N ATOM 1220 CA ALA A 112 -6.943 8.714 -5.789 1.00 0.00 C ATOM 1221 C ALA A 112 -5.524 8.510 -6.373 1.00 0.00 C ATOM 1222 O ALA A 112 -4.976 7.403 -6.330 1.00 0.00 O ATOM 1223 CB ALA A 112 -6.908 8.579 -4.251 1.00 0.00 C ATOM 0 H ALA A 112 -7.434 6.897 -6.754 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.288 9.716 -6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -6.211 9.308 -3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.904 8.760 -3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.584 7.574 -3.981 1.00 0.00 H new ATOM 1229 N MET A 113 -4.918 9.603 -6.877 1.00 0.00 N ATOM 1230 CA MET A 113 -3.531 9.583 -7.407 1.00 0.00 C ATOM 1231 C MET A 113 -2.524 9.793 -6.238 1.00 0.00 C ATOM 1232 O MET A 113 -2.382 10.903 -5.718 1.00 0.00 O ATOM 1233 CB MET A 113 -3.400 10.647 -8.528 1.00 0.00 C ATOM 1234 CG MET A 113 -2.071 10.601 -9.299 1.00 0.00 C ATOM 1235 SD MET A 113 -1.943 9.073 -10.259 1.00 0.00 S ATOM 1236 CE MET A 113 -2.579 9.584 -11.868 1.00 0.00 C ATOM 0 H MET A 113 -5.366 10.518 -6.930 1.00 0.00 H new ATOM 0 HA MET A 113 -3.296 8.617 -7.853 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.220 10.515 -9.234 1.00 0.00 H new ATOM 0 HB3 MET A 113 -3.515 11.637 -8.087 1.00 0.00 H new ATOM 0 HG2 MET A 113 -2.001 11.462 -9.964 1.00 0.00 H new ATOM 0 HG3 MET A 113 -1.237 10.669 -8.601 1.00 0.00 H new ATOM 0 HE1 MET A 113 -2.555 8.737 -12.554 1.00 0.00 H new ATOM 0 HE2 MET A 113 -3.605 9.934 -11.759 1.00 0.00 H new ATOM 0 HE3 MET A 113 -1.961 10.390 -12.264 1.00 0.00 H new ATOM 1246 N VAL A 114 -1.820 8.712 -5.854 1.00 0.00 N ATOM 1247 CA VAL A 114 -0.844 8.710 -4.727 1.00 0.00 C ATOM 1248 C VAL A 114 0.518 9.214 -5.292 1.00 0.00 C ATOM 1249 O VAL A 114 1.278 8.457 -5.901 1.00 0.00 O ATOM 1250 CB VAL A 114 -0.797 7.295 -4.042 1.00 0.00 C ATOM 1251 CG1 VAL A 114 0.343 7.130 -3.009 1.00 0.00 C ATOM 1252 CG2 VAL A 114 -2.133 6.924 -3.353 1.00 0.00 C ATOM 0 H VAL A 114 -1.906 7.806 -6.314 1.00 0.00 H new ATOM 0 HA VAL A 114 -1.137 9.386 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.606 6.616 -4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.306 6.127 -2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.304 7.280 -3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 114 0.223 7.867 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.045 5.938 -2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -2.363 7.661 -2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.933 6.911 -4.093 1.00 0.00 H new ATOM 1262 N THR A 115 0.798 10.508 -5.063 1.00 0.00 N ATOM 1263 CA THR A 115 2.044 11.177 -5.524 1.00 0.00 C ATOM 1264 C THR A 115 3.102 11.059 -4.392 1.00 0.00 C ATOM 1265 O THR A 115 3.020 11.741 -3.363 1.00 0.00 O ATOM 1266 CB THR A 115 1.779 12.653 -5.947 1.00 0.00 C ATOM 1267 OG1 THR A 115 1.153 13.393 -4.900 1.00 0.00 O ATOM 1268 CG2 THR A 115 0.919 12.794 -7.217 1.00 0.00 C ATOM 0 H THR A 115 0.170 11.128 -4.552 1.00 0.00 H new ATOM 0 HA THR A 115 2.425 10.685 -6.419 1.00 0.00 H new ATOM 0 HB THR A 115 2.768 13.056 -6.163 1.00 0.00 H new ATOM 0 HG1 THR A 115 1.061 14.330 -5.172 1.00 0.00 H new ATOM 0 HG21 THR A 115 0.779 13.850 -7.446 1.00 0.00 H new ATOM 0 HG22 THR A 115 1.420 12.305 -8.052 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.052 12.327 -7.053 1.00 0.00 H new ATOM 1276 N ALA A 116 4.071 10.150 -4.591 1.00 0.00 N ATOM 1277 CA ALA A 116 5.063 9.786 -3.551 1.00 0.00 C ATOM 1278 C ALA A 116 6.356 10.646 -3.607 1.00 0.00 C ATOM 1279 O ALA A 116 6.701 11.247 -4.627 1.00 0.00 O ATOM 1280 CB ALA A 116 5.382 8.288 -3.727 1.00 0.00 C ATOM 0 H ALA A 116 4.193 9.646 -5.470 1.00 0.00 H new ATOM 0 HA ALA A 116 4.636 9.985 -2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.111 7.981 -2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.469 7.705 -3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.792 8.118 -4.723 1.00 0.00 H new ATOM 1286 N ASP A 117 7.082 10.643 -2.479 1.00 0.00 N ATOM 1287 CA ASP A 117 8.499 11.099 -2.400 1.00 0.00 C ATOM 1288 C ASP A 117 9.500 9.964 -2.835 1.00 0.00 C ATOM 1289 O ASP A 117 9.189 8.762 -2.813 1.00 0.00 O ATOM 1290 CB ASP A 117 8.640 11.677 -0.957 1.00 0.00 C ATOM 1291 CG ASP A 117 10.006 11.690 -0.277 1.00 0.00 C ATOM 1292 OD1 ASP A 117 10.814 12.604 -0.523 1.00 0.00 O ATOM 1293 OD2 ASP A 117 10.268 10.777 0.536 1.00 0.00 O ATOM 0 H ASP A 117 6.710 10.324 -1.584 1.00 0.00 H new ATOM 0 HA ASP A 117 8.767 11.882 -3.110 1.00 0.00 H new ATOM 0 HB2 ASP A 117 8.279 12.705 -0.982 1.00 0.00 H new ATOM 0 HB3 ASP A 117 7.962 11.116 -0.314 1.00 0.00 H new ATOM 1298 N SER A 118 10.725 10.381 -3.219 1.00 0.00 N ATOM 1299 CA SER A 118 11.820 9.463 -3.656 1.00 0.00 C ATOM 1300 C SER A 118 12.495 8.662 -2.494 1.00 0.00 C ATOM 1301 O SER A 118 13.657 8.867 -2.128 1.00 0.00 O ATOM 1302 CB SER A 118 12.828 10.290 -4.489 1.00 0.00 C ATOM 1303 OG SER A 118 13.441 11.328 -3.727 1.00 0.00 O ATOM 0 H SER A 118 10.992 11.365 -3.238 1.00 0.00 H new ATOM 0 HA SER A 118 11.386 8.674 -4.271 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.599 9.628 -4.883 1.00 0.00 H new ATOM 0 HB3 SER A 118 12.315 10.727 -5.346 1.00 0.00 H new ATOM 0 HG SER A 118 13.854 10.945 -2.925 1.00 0.00 H new ATOM 1309 N LYS A 119 11.704 7.735 -1.934 1.00 0.00 N ATOM 1310 CA LYS A 119 11.989 7.008 -0.664 1.00 0.00 C ATOM 1311 C LYS A 119 10.860 5.949 -0.437 1.00 0.00 C ATOM 1312 O LYS A 119 11.148 4.749 -0.373 1.00 0.00 O ATOM 1313 CB LYS A 119 12.146 7.988 0.542 1.00 0.00 C ATOM 1314 CG LYS A 119 12.469 7.339 1.906 1.00 0.00 C ATOM 1315 CD LYS A 119 12.669 8.335 3.070 1.00 0.00 C ATOM 1316 CE LYS A 119 11.425 9.154 3.488 1.00 0.00 C ATOM 1317 NZ LYS A 119 11.387 10.494 2.832 1.00 0.00 N ATOM 0 H LYS A 119 10.819 7.454 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 119 12.946 6.492 -0.741 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.936 8.700 0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.223 8.558 0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.661 6.655 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 119 13.373 6.739 1.801 1.00 0.00 H new ATOM 0 HD2 LYS A 119 13.022 7.780 3.939 1.00 0.00 H new ATOM 0 HD3 LYS A 119 13.461 9.031 2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.523 8.599 3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.422 9.281 4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 11.057 11.206 3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.341 10.746 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 10.737 10.465 2.021 1.00 0.00 H new ATOM 1331 N TYR A 120 9.593 6.412 -0.307 1.00 0.00 N ATOM 1332 CA TYR A 120 8.397 5.554 -0.081 1.00 0.00 C ATOM 1333 C TYR A 120 8.144 4.505 -1.206 1.00 0.00 C ATOM 1334 O TYR A 120 8.025 3.316 -0.898 1.00 0.00 O ATOM 1335 CB TYR A 120 7.134 6.437 0.149 1.00 0.00 C ATOM 1336 CG TYR A 120 7.141 7.355 1.387 1.00 0.00 C ATOM 1337 CD1 TYR A 120 6.659 6.900 2.616 1.00 0.00 C ATOM 1338 CD2 TYR A 120 7.605 8.671 1.279 1.00 0.00 C ATOM 1339 CE1 TYR A 120 6.626 7.748 3.722 1.00 0.00 C ATOM 1340 CE2 TYR A 120 7.578 9.519 2.385 1.00 0.00 C ATOM 1341 CZ TYR A 120 7.084 9.062 3.601 1.00 0.00 C ATOM 1342 OH TYR A 120 7.037 9.903 4.684 1.00 0.00 O ATOM 0 H TYR A 120 9.367 7.405 -0.356 1.00 0.00 H new ATOM 0 HA TYR A 120 8.607 4.973 0.817 1.00 0.00 H new ATOM 0 HB2 TYR A 120 6.990 7.059 -0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 120 6.268 5.779 0.220 1.00 0.00 H new ATOM 0 HD1 TYR A 120 6.309 5.883 2.711 1.00 0.00 H new ATOM 0 HD2 TYR A 120 7.986 9.031 0.335 1.00 0.00 H new ATOM 0 HE1 TYR A 120 6.248 7.390 4.668 1.00 0.00 H new ATOM 0 HE2 TYR A 120 7.941 10.532 2.297 1.00 0.00 H new ATOM 0 HH TYR A 120 7.394 10.780 4.433 1.00 0.00 H new ATOM 1352 N CYS A 121 8.117 4.922 -2.492 1.00 0.00 N ATOM 1353 CA CYS A 121 8.099 3.985 -3.644 1.00 0.00 C ATOM 1354 C CYS A 121 9.414 3.163 -3.766 1.00 0.00 C ATOM 1355 O CYS A 121 9.383 1.959 -3.503 1.00 0.00 O ATOM 1356 CB CYS A 121 7.727 4.743 -4.935 1.00 0.00 C ATOM 1357 SG CYS A 121 6.015 5.342 -4.828 1.00 0.00 S ATOM 0 H CYS A 121 8.107 5.906 -2.761 1.00 0.00 H new ATOM 0 HA CYS A 121 7.324 3.239 -3.469 1.00 0.00 H new ATOM 0 HB2 CYS A 121 8.407 5.582 -5.083 1.00 0.00 H new ATOM 0 HB3 CYS A 121 7.839 4.086 -5.798 1.00 0.00 H new ATOM 0 HG CYS A 121 5.710 5.981 -5.918 1.00 0.00 H new ATOM 1363 N TYR A 122 10.546 3.794 -4.143 1.00 0.00 N ATOM 1364 CA TYR A 122 11.851 3.093 -4.306 1.00 0.00 C ATOM 1365 C TYR A 122 13.004 4.037 -3.858 1.00 0.00 C ATOM 1366 O TYR A 122 13.675 3.731 -2.867 1.00 0.00 O ATOM 1367 CB TYR A 122 12.081 2.496 -5.732 1.00 0.00 C ATOM 1368 CG TYR A 122 11.020 1.506 -6.251 1.00 0.00 C ATOM 1369 CD1 TYR A 122 11.089 0.149 -5.918 1.00 0.00 C ATOM 1370 CD2 TYR A 122 9.965 1.962 -7.051 1.00 0.00 C ATOM 1371 CE1 TYR A 122 10.121 -0.738 -6.383 1.00 0.00 C ATOM 1372 CE2 TYR A 122 8.989 1.078 -7.501 1.00 0.00 C ATOM 1373 CZ TYR A 122 9.071 -0.274 -7.171 1.00 0.00 C ATOM 1374 OH TYR A 122 8.112 -1.144 -7.620 1.00 0.00 O ATOM 0 H TYR A 122 10.589 4.793 -4.343 1.00 0.00 H new ATOM 0 HA TYR A 122 11.835 2.217 -3.657 1.00 0.00 H new ATOM 0 HB2 TYR A 122 12.149 3.323 -6.439 1.00 0.00 H new ATOM 0 HB3 TYR A 122 13.047 1.992 -5.737 1.00 0.00 H new ATOM 0 HD1 TYR A 122 11.896 -0.212 -5.298 1.00 0.00 H new ATOM 0 HD2 TYR A 122 9.908 3.006 -7.320 1.00 0.00 H new ATOM 0 HE1 TYR A 122 10.185 -1.787 -6.132 1.00 0.00 H new ATOM 0 HE2 TYR A 122 8.169 1.439 -8.105 1.00 0.00 H new ATOM 0 HH TYR A 122 7.452 -0.656 -8.155 1.00 0.00 H new ATOM 1384 N GLY A 123 13.237 5.162 -4.569 1.00 0.00 N ATOM 1385 CA GLY A 123 14.313 6.119 -4.235 1.00 0.00 C ATOM 1386 C GLY A 123 15.669 5.884 -4.961 1.00 0.00 C ATOM 1387 O GLY A 123 15.707 5.103 -5.921 1.00 0.00 O ATOM 0 H GLY A 123 12.688 5.431 -5.386 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.966 7.125 -4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.486 6.083 -3.159 1.00 0.00 H new ATOM 1391 N PRO A 124 16.799 6.541 -4.558 1.00 0.00 N ATOM 1392 CA PRO A 124 18.108 6.408 -5.254 1.00 0.00 C ATOM 1393 C PRO A 124 18.806 5.053 -4.951 1.00 0.00 C ATOM 1394 O PRO A 124 19.347 4.840 -3.860 1.00 0.00 O ATOM 1395 CB PRO A 124 18.882 7.647 -4.766 1.00 0.00 C ATOM 1396 CG PRO A 124 18.271 8.021 -3.414 1.00 0.00 C ATOM 1397 CD PRO A 124 16.808 7.588 -3.514 1.00 0.00 C ATOM 0 HA PRO A 124 18.028 6.384 -6.341 1.00 0.00 H new ATOM 0 HB2 PRO A 124 19.945 7.429 -4.667 1.00 0.00 H new ATOM 0 HB3 PRO A 124 18.791 8.469 -5.476 1.00 0.00 H new ATOM 0 HG2 PRO A 124 18.779 7.511 -2.596 1.00 0.00 H new ATOM 0 HG3 PRO A 124 18.355 9.091 -3.224 1.00 0.00 H new ATOM 0 HD2 PRO A 124 16.443 7.202 -2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 124 16.165 8.425 -3.786 1.00 0.00 H new ATOM 1405 N GLN A 125 18.721 4.128 -5.925 1.00 0.00 N ATOM 1406 CA GLN A 125 19.128 2.711 -5.740 1.00 0.00 C ATOM 1407 C GLN A 125 19.557 2.105 -7.108 1.00 0.00 C ATOM 1408 O GLN A 125 20.740 1.796 -7.276 1.00 0.00 O ATOM 1409 CB GLN A 125 18.010 1.921 -4.991 1.00 0.00 C ATOM 1410 CG GLN A 125 18.381 0.475 -4.593 1.00 0.00 C ATOM 1411 CD GLN A 125 17.261 -0.225 -3.807 1.00 0.00 C ATOM 1412 OE1 GLN A 125 16.226 -0.592 -4.361 1.00 0.00 O ATOM 1413 NE2 GLN A 125 17.437 -0.423 -2.509 1.00 0.00 N ATOM 0 H GLN A 125 18.371 4.334 -6.860 1.00 0.00 H new ATOM 0 HA GLN A 125 20.006 2.640 -5.097 1.00 0.00 H new ATOM 0 HB2 GLN A 125 17.740 2.471 -4.090 1.00 0.00 H new ATOM 0 HB3 GLN A 125 17.123 1.891 -5.623 1.00 0.00 H new ATOM 0 HG2 GLN A 125 18.604 -0.100 -5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 125 19.289 0.489 -3.990 1.00 0.00 H new ATOM 0 HE21 GLN A 125 18.299 -0.115 -2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 125 16.711 -0.883 -1.960 1.00 0.00 H new ATOM 1422 N GLY A 126 18.612 1.891 -8.049 1.00 0.00 N ATOM 1423 CA GLY A 126 18.858 1.081 -9.264 1.00 0.00 C ATOM 1424 C GLY A 126 18.496 -0.393 -8.998 1.00 0.00 C ATOM 1425 O GLY A 126 19.307 -1.134 -8.435 1.00 0.00 O ATOM 0 H GLY A 126 17.667 2.270 -7.990 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.265 1.466 -10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 126 19.905 1.160 -9.557 1.00 0.00 H new ATOM 1429 N ARG A 127 17.263 -0.779 -9.366 1.00 0.00 N ATOM 1430 CA ARG A 127 16.672 -2.100 -9.015 1.00 0.00 C ATOM 1431 C ARG A 127 16.019 -2.765 -10.273 1.00 0.00 C ATOM 1432 O ARG A 127 15.470 -2.100 -11.160 1.00 0.00 O ATOM 1433 CB ARG A 127 15.692 -1.840 -7.827 1.00 0.00 C ATOM 1434 CG ARG A 127 14.866 -3.041 -7.304 1.00 0.00 C ATOM 1435 CD ARG A 127 13.944 -2.646 -6.136 1.00 0.00 C ATOM 1436 NE ARG A 127 13.046 -3.779 -5.776 1.00 0.00 N ATOM 1437 CZ ARG A 127 12.203 -3.793 -4.741 1.00 0.00 C ATOM 1438 NH1 ARG A 127 12.099 -2.813 -3.877 1.00 0.00 N ATOM 1439 NH2 ARG A 127 11.441 -4.836 -4.576 1.00 0.00 N ATOM 0 H ARG A 127 16.639 -0.189 -9.917 1.00 0.00 H new ATOM 0 HA ARG A 127 17.419 -2.826 -8.694 1.00 0.00 H new ATOM 0 HB2 ARG A 127 16.272 -1.443 -6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 127 14.995 -1.059 -8.131 1.00 0.00 H new ATOM 0 HG2 ARG A 127 14.266 -3.449 -8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 127 15.542 -3.832 -6.980 1.00 0.00 H new ATOM 0 HD2 ARG A 127 14.544 -2.360 -5.272 1.00 0.00 H new ATOM 0 HD3 ARG A 127 13.349 -1.776 -6.413 1.00 0.00 H new ATOM 0 HE ARG A 127 13.078 -4.610 -6.367 1.00 0.00 H new ATOM 0 HH11 ARG A 127 12.682 -1.982 -3.976 1.00 0.00 H new ATOM 0 HH12 ARG A 127 11.435 -2.882 -3.105 1.00 0.00 H new ATOM 0 HH21 ARG A 127 11.497 -5.617 -5.230 1.00 0.00 H new ATOM 0 HH22 ARG A 127 10.788 -4.872 -3.793 1.00 0.00 H new ATOM 1453 N SER A 128 16.048 -4.111 -10.302 1.00 0.00 N ATOM 1454 CA SER A 128 15.351 -4.918 -11.339 1.00 0.00 C ATOM 1455 C SER A 128 13.804 -5.004 -11.084 1.00 0.00 C ATOM 1456 O SER A 128 13.414 -5.132 -9.915 1.00 0.00 O ATOM 1457 CB SER A 128 15.968 -6.335 -11.377 1.00 0.00 C ATOM 1458 OG SER A 128 17.331 -6.295 -11.787 1.00 0.00 O ATOM 0 H SER A 128 16.550 -4.673 -9.615 1.00 0.00 H new ATOM 0 HA SER A 128 15.486 -4.424 -12.301 1.00 0.00 H new ATOM 0 HB2 SER A 128 15.896 -6.792 -10.390 1.00 0.00 H new ATOM 0 HB3 SER A 128 15.398 -6.964 -12.061 1.00 0.00 H new ATOM 0 HG SER A 128 17.695 -7.205 -11.800 1.00 0.00 H new ATOM 1464 N PRO A 129 12.890 -4.948 -12.100 1.00 0.00 N ATOM 1465 CA PRO A 129 13.233 -4.996 -13.551 1.00 0.00 C ATOM 1466 C PRO A 129 13.667 -3.652 -14.220 1.00 0.00 C ATOM 1467 O PRO A 129 14.662 -3.650 -14.951 1.00 0.00 O ATOM 1468 CB PRO A 129 11.956 -5.610 -14.161 1.00 0.00 C ATOM 1469 CG PRO A 129 10.811 -5.158 -13.251 1.00 0.00 C ATOM 1470 CD PRO A 129 11.441 -5.124 -11.858 1.00 0.00 C ATOM 0 HA PRO A 129 14.142 -5.572 -13.725 1.00 0.00 H new ATOM 0 HB2 PRO A 129 11.804 -5.265 -15.184 1.00 0.00 H new ATOM 0 HB3 PRO A 129 12.022 -6.697 -14.198 1.00 0.00 H new ATOM 0 HG2 PRO A 129 10.432 -4.178 -13.542 1.00 0.00 H new ATOM 0 HG3 PRO A 129 9.970 -5.850 -13.293 1.00 0.00 H new ATOM 0 HD2 PRO A 129 11.038 -4.305 -11.262 1.00 0.00 H new ATOM 0 HD3 PRO A 129 11.241 -6.045 -11.311 1.00 0.00 H new ATOM 1478 N TYR A 130 12.931 -2.542 -14.006 1.00 0.00 N ATOM 1479 CA TYR A 130 13.205 -1.228 -14.647 1.00 0.00 C ATOM 1480 C TYR A 130 12.798 -0.106 -13.649 1.00 0.00 C ATOM 1481 O TYR A 130 11.743 0.523 -13.775 1.00 0.00 O ATOM 1482 CB TYR A 130 12.582 -1.105 -16.074 1.00 0.00 C ATOM 1483 CG TYR A 130 11.092 -1.465 -16.290 1.00 0.00 C ATOM 1484 CD1 TYR A 130 10.090 -0.499 -16.153 1.00 0.00 C ATOM 1485 CD2 TYR A 130 10.734 -2.772 -16.644 1.00 0.00 C ATOM 1486 CE1 TYR A 130 8.751 -0.842 -16.324 1.00 0.00 C ATOM 1487 CE2 TYR A 130 9.395 -3.111 -16.828 1.00 0.00 C ATOM 1488 CZ TYR A 130 8.405 -2.147 -16.665 1.00 0.00 C ATOM 1489 OH TYR A 130 7.088 -2.480 -16.849 1.00 0.00 O ATOM 0 H TYR A 130 12.125 -2.526 -13.381 1.00 0.00 H new ATOM 0 HA TYR A 130 14.271 -1.123 -14.847 1.00 0.00 H new ATOM 0 HB2 TYR A 130 12.720 -0.075 -16.403 1.00 0.00 H new ATOM 0 HB3 TYR A 130 13.170 -1.734 -16.742 1.00 0.00 H new ATOM 0 HD1 TYR A 130 10.356 0.520 -15.913 1.00 0.00 H new ATOM 0 HD2 TYR A 130 11.500 -3.522 -16.775 1.00 0.00 H new ATOM 0 HE1 TYR A 130 7.981 -0.096 -16.192 1.00 0.00 H new ATOM 0 HE2 TYR A 130 9.126 -4.122 -17.097 1.00 0.00 H new ATOM 0 HH TYR A 130 6.579 -1.679 -17.093 1.00 0.00 H new ATOM 1499 N ILE A 131 13.659 0.124 -12.642 1.00 0.00 N ATOM 1500 CA ILE A 131 13.389 1.079 -11.531 1.00 0.00 C ATOM 1501 C ILE A 131 14.405 2.264 -11.685 1.00 0.00 C ATOM 1502 O ILE A 131 15.609 2.009 -11.547 1.00 0.00 O ATOM 1503 CB ILE A 131 13.469 0.371 -10.134 1.00 0.00 C ATOM 1504 CG1 ILE A 131 12.559 -0.886 -9.952 1.00 0.00 C ATOM 1505 CG2 ILE A 131 13.255 1.346 -8.951 1.00 0.00 C ATOM 1506 CD1 ILE A 131 11.057 -0.708 -10.226 1.00 0.00 C ATOM 0 H ILE A 131 14.563 -0.342 -12.567 1.00 0.00 H new ATOM 0 HA ILE A 131 12.372 1.468 -11.585 1.00 0.00 H new ATOM 0 HB ILE A 131 14.495 0.003 -10.121 1.00 0.00 H new ATOM 0 HG12 ILE A 131 12.932 -1.672 -10.609 1.00 0.00 H new ATOM 0 HG13 ILE A 131 12.676 -1.243 -8.929 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.322 0.798 -8.011 1.00 0.00 H new ATOM 0 HG22 ILE A 131 14.022 2.120 -8.975 1.00 0.00 H new ATOM 0 HG23 ILE A 131 12.271 1.807 -9.033 1.00 0.00 H new ATOM 0 HD11 ILE A 131 10.543 -1.655 -10.063 1.00 0.00 H new ATOM 0 HD12 ILE A 131 10.651 0.046 -9.552 1.00 0.00 H new ATOM 0 HD13 ILE A 131 10.911 -0.389 -11.258 1.00 0.00 H new ATOM 1518 N PRO A 132 14.001 3.549 -11.919 1.00 0.00 N ATOM 1519 CA PRO A 132 14.956 4.677 -12.081 1.00 0.00 C ATOM 1520 C PRO A 132 15.559 5.216 -10.734 1.00 0.00 C ATOM 1521 O PRO A 132 14.864 5.157 -9.711 1.00 0.00 O ATOM 1522 CB PRO A 132 14.086 5.731 -12.796 1.00 0.00 C ATOM 1523 CG PRO A 132 12.655 5.466 -12.326 1.00 0.00 C ATOM 1524 CD PRO A 132 12.596 3.947 -12.154 1.00 0.00 C ATOM 0 HA PRO A 132 15.852 4.385 -12.629 1.00 0.00 H new ATOM 0 HB2 PRO A 132 14.403 6.742 -12.539 1.00 0.00 H new ATOM 0 HB3 PRO A 132 14.167 5.638 -13.879 1.00 0.00 H new ATOM 0 HG2 PRO A 132 12.440 5.982 -11.390 1.00 0.00 H new ATOM 0 HG3 PRO A 132 11.924 5.813 -13.056 1.00 0.00 H new ATOM 0 HD2 PRO A 132 11.958 3.666 -11.316 1.00 0.00 H new ATOM 0 HD3 PRO A 132 12.189 3.462 -13.041 1.00 0.00 H new ATOM 1532 N PRO A 133 16.801 5.791 -10.685 1.00 0.00 N ATOM 1533 CA PRO A 133 17.356 6.423 -9.459 1.00 0.00 C ATOM 1534 C PRO A 133 16.607 7.741 -9.093 1.00 0.00 C ATOM 1535 O PRO A 133 16.526 8.672 -9.900 1.00 0.00 O ATOM 1536 CB PRO A 133 18.839 6.631 -9.826 1.00 0.00 C ATOM 1537 CG PRO A 133 18.872 6.743 -11.352 1.00 0.00 C ATOM 1538 CD PRO A 133 17.735 5.837 -11.828 1.00 0.00 C ATOM 0 HA PRO A 133 17.238 5.820 -8.559 1.00 0.00 H new ATOM 0 HB2 PRO A 133 19.236 7.532 -9.358 1.00 0.00 H new ATOM 0 HB3 PRO A 133 19.449 5.797 -9.481 1.00 0.00 H new ATOM 0 HG2 PRO A 133 18.722 7.772 -11.678 1.00 0.00 H new ATOM 0 HG3 PRO A 133 19.832 6.419 -11.753 1.00 0.00 H new ATOM 0 HD2 PRO A 133 17.253 6.239 -12.719 1.00 0.00 H new ATOM 0 HD3 PRO A 133 18.100 4.842 -12.084 1.00 0.00 H new ATOM 1546 N HIS A 134 16.009 7.744 -7.889 1.00 0.00 N ATOM 1547 CA HIS A 134 14.991 8.735 -7.437 1.00 0.00 C ATOM 1548 C HIS A 134 13.619 8.403 -8.089 1.00 0.00 C ATOM 1549 O HIS A 134 13.402 8.705 -9.267 1.00 0.00 O ATOM 1550 CB HIS A 134 15.341 10.250 -7.538 1.00 0.00 C ATOM 1551 CG HIS A 134 16.548 10.701 -6.713 1.00 0.00 C ATOM 1552 ND1 HIS A 134 16.501 11.055 -5.376 1.00 0.00 N ATOM 1553 CD2 HIS A 134 17.856 10.867 -7.204 1.00 0.00 C ATOM 1554 CE1 HIS A 134 17.807 11.410 -5.180 1.00 0.00 C ATOM 1555 NE2 HIS A 134 18.710 11.334 -6.213 1.00 0.00 N ATOM 0 H HIS A 134 16.219 7.043 -7.178 1.00 0.00 H new ATOM 0 HA HIS A 134 14.957 8.606 -6.355 1.00 0.00 H new ATOM 0 HB2 HIS A 134 15.526 10.494 -8.584 1.00 0.00 H new ATOM 0 HB3 HIS A 134 14.472 10.828 -7.225 1.00 0.00 H new ATOM 0 HD2 HIS A 134 18.157 10.658 -8.220 1.00 0.00 H new ATOM 0 HE1 HIS A 134 18.130 11.752 -4.208 1.00 0.00 H new ATOM 0 HE2 HIS A 134 19.706 11.554 -6.243 1.00 0.00 H new ATOM 1563 N ALA A 135 12.720 7.767 -7.314 1.00 0.00 N ATOM 1564 CA ALA A 135 11.383 7.346 -7.800 1.00 0.00 C ATOM 1565 C ALA A 135 10.280 8.078 -6.991 1.00 0.00 C ATOM 1566 O ALA A 135 9.795 7.577 -5.970 1.00 0.00 O ATOM 1567 CB ALA A 135 11.285 5.811 -7.701 1.00 0.00 C ATOM 0 H ALA A 135 12.894 7.529 -6.337 1.00 0.00 H new ATOM 0 HA ALA A 135 11.238 7.621 -8.845 1.00 0.00 H new ATOM 0 HB1 ALA A 135 10.307 5.485 -8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 135 12.063 5.356 -8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.416 5.504 -6.663 1.00 0.00 H new ATOM 1573 N ALA A 136 9.885 9.271 -7.475 1.00 0.00 N ATOM 1574 CA ALA A 136 8.741 10.040 -6.916 1.00 0.00 C ATOM 1575 C ALA A 136 7.539 9.956 -7.899 1.00 0.00 C ATOM 1576 O ALA A 136 7.269 10.896 -8.653 1.00 0.00 O ATOM 1577 CB ALA A 136 9.230 11.482 -6.656 1.00 0.00 C ATOM 0 H ALA A 136 10.343 9.733 -8.261 1.00 0.00 H new ATOM 0 HA ALA A 136 8.388 9.631 -5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 136 8.413 12.075 -6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 136 10.058 11.463 -5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 136 9.565 11.927 -7.593 1.00 0.00 H new ATOM 1583 N LEU A 137 6.847 8.798 -7.915 1.00 0.00 N ATOM 1584 CA LEU A 137 5.891 8.441 -9.002 1.00 0.00 C ATOM 1585 C LEU A 137 4.410 8.622 -8.566 1.00 0.00 C ATOM 1586 O LEU A 137 4.046 8.507 -7.390 1.00 0.00 O ATOM 1587 CB LEU A 137 6.173 6.987 -9.506 1.00 0.00 C ATOM 1588 CG LEU A 137 7.165 6.863 -10.699 1.00 0.00 C ATOM 1589 CD1 LEU A 137 8.625 7.190 -10.336 1.00 0.00 C ATOM 1590 CD2 LEU A 137 7.090 5.465 -11.343 1.00 0.00 C ATOM 0 H LEU A 137 6.928 8.087 -7.188 1.00 0.00 H new ATOM 0 HA LEU A 137 6.049 9.132 -9.830 1.00 0.00 H new ATOM 0 HB2 LEU A 137 6.563 6.403 -8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 137 5.226 6.534 -9.797 1.00 0.00 H new ATOM 0 HG LEU A 137 6.843 7.618 -11.416 1.00 0.00 H new ATOM 0 HD11 LEU A 137 9.253 7.080 -11.220 1.00 0.00 H new ATOM 0 HD12 LEU A 137 8.688 8.215 -9.971 1.00 0.00 H new ATOM 0 HD13 LEU A 137 8.969 6.506 -9.560 1.00 0.00 H new ATOM 0 HD21 LEU A 137 7.794 5.409 -12.173 1.00 0.00 H new ATOM 0 HD22 LEU A 137 7.343 4.708 -10.600 1.00 0.00 H new ATOM 0 HD23 LEU A 137 6.080 5.288 -11.711 1.00 0.00 H new ATOM 1602 N CYS A 138 3.561 8.871 -9.581 1.00 0.00 N ATOM 1603 CA CYS A 138 2.094 8.979 -9.423 1.00 0.00 C ATOM 1604 C CYS A 138 1.414 7.597 -9.649 1.00 0.00 C ATOM 1605 O CYS A 138 1.368 7.078 -10.769 1.00 0.00 O ATOM 1606 CB CYS A 138 1.595 10.067 -10.398 1.00 0.00 C ATOM 1607 SG CYS A 138 1.942 9.652 -12.141 1.00 0.00 S ATOM 0 H CYS A 138 3.874 9.004 -10.542 1.00 0.00 H new ATOM 0 HA CYS A 138 1.828 9.273 -8.408 1.00 0.00 H new ATOM 0 HB2 CYS A 138 0.522 10.204 -10.267 1.00 0.00 H new ATOM 0 HB3 CYS A 138 2.070 11.017 -10.152 1.00 0.00 H new ATOM 0 HG CYS A 138 2.971 8.860 -12.202 1.00 0.00 H new ATOM 1613 N LEU A 139 0.897 7.011 -8.555 1.00 0.00 N ATOM 1614 CA LEU A 139 0.209 5.701 -8.557 1.00 0.00 C ATOM 1615 C LEU A 139 -1.318 5.956 -8.615 1.00 0.00 C ATOM 1616 O LEU A 139 -1.877 6.525 -7.675 1.00 0.00 O ATOM 1617 CB LEU A 139 0.512 4.952 -7.227 1.00 0.00 C ATOM 1618 CG LEU A 139 1.894 4.339 -6.914 1.00 0.00 C ATOM 1619 CD1 LEU A 139 2.366 3.353 -7.983 1.00 0.00 C ATOM 1620 CD2 LEU A 139 2.993 5.365 -6.595 1.00 0.00 C ATOM 0 H LEU A 139 0.944 7.437 -7.630 1.00 0.00 H new ATOM 0 HA LEU A 139 0.548 5.110 -9.408 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.291 5.650 -6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.212 4.141 -7.155 1.00 0.00 H new ATOM 0 HG LEU A 139 1.723 3.782 -5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 139 3.343 2.956 -7.706 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.651 2.534 -8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.441 3.865 -8.942 1.00 0.00 H new ATOM 0 HD21 LEU A 139 3.928 4.844 -6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.129 6.030 -7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.703 5.950 -5.722 1.00 0.00 H new ATOM 1632 N GLU A 140 -2.012 5.505 -9.672 1.00 0.00 N ATOM 1633 CA GLU A 140 -3.495 5.665 -9.756 1.00 0.00 C ATOM 1634 C GLU A 140 -4.208 4.464 -9.054 1.00 0.00 C ATOM 1635 O GLU A 140 -4.310 3.366 -9.612 1.00 0.00 O ATOM 1636 CB GLU A 140 -3.933 5.887 -11.231 1.00 0.00 C ATOM 1637 CG GLU A 140 -5.197 6.770 -11.426 1.00 0.00 C ATOM 1638 CD GLU A 140 -6.500 6.250 -10.839 1.00 0.00 C ATOM 1639 OE1 GLU A 140 -6.726 6.454 -9.627 1.00 0.00 O ATOM 1640 OE2 GLU A 140 -7.309 5.665 -11.587 1.00 0.00 O ATOM 0 H GLU A 140 -1.591 5.034 -10.473 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.806 6.559 -9.215 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.105 6.343 -11.773 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.116 4.915 -11.688 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -4.997 7.749 -10.991 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -5.343 6.920 -12.496 1.00 0.00 H new ATOM 1647 N VAL A 141 -4.641 4.693 -7.800 1.00 0.00 N ATOM 1648 CA VAL A 141 -5.150 3.627 -6.893 1.00 0.00 C ATOM 1649 C VAL A 141 -6.702 3.633 -6.988 1.00 0.00 C ATOM 1650 O VAL A 141 -7.341 4.662 -6.749 1.00 0.00 O ATOM 1651 CB VAL A 141 -4.656 3.835 -5.416 1.00 0.00 C ATOM 1652 CG1 VAL A 141 -5.111 2.703 -4.462 1.00 0.00 C ATOM 1653 CG2 VAL A 141 -3.121 3.966 -5.276 1.00 0.00 C ATOM 0 H VAL A 141 -4.651 5.622 -7.379 1.00 0.00 H new ATOM 0 HA VAL A 141 -4.760 2.657 -7.200 1.00 0.00 H new ATOM 0 HB VAL A 141 -5.122 4.779 -5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -4.739 2.903 -3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -6.200 2.658 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -4.714 1.750 -4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -2.862 4.107 -4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -2.643 3.060 -5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -2.775 4.823 -5.853 1.00 0.00 H new ATOM 1663 N THR A 142 -7.285 2.463 -7.298 1.00 0.00 N ATOM 1664 CA THR A 142 -8.760 2.258 -7.292 1.00 0.00 C ATOM 1665 C THR A 142 -9.011 0.823 -6.739 1.00 0.00 C ATOM 1666 O THR A 142 -8.522 -0.163 -7.297 1.00 0.00 O ATOM 1667 CB THR A 142 -9.383 2.492 -8.705 1.00 0.00 C ATOM 1668 OG1 THR A 142 -9.082 3.805 -9.171 1.00 0.00 O ATOM 1669 CG2 THR A 142 -10.915 2.346 -8.743 1.00 0.00 C ATOM 0 H THR A 142 -6.758 1.630 -7.560 1.00 0.00 H new ATOM 0 HA THR A 142 -9.256 2.989 -6.653 1.00 0.00 H new ATOM 0 HB THR A 142 -8.943 1.720 -9.336 1.00 0.00 H new ATOM 0 HG1 THR A 142 -9.478 3.936 -10.058 1.00 0.00 H new ATOM 0 HG21 THR A 142 -11.272 2.523 -9.757 1.00 0.00 H new ATOM 0 HG22 THR A 142 -11.192 1.339 -8.431 1.00 0.00 H new ATOM 0 HG23 THR A 142 -11.367 3.072 -8.067 1.00 0.00 H new ATOM 1677 N LEU A 143 -9.824 0.716 -5.670 1.00 0.00 N ATOM 1678 CA LEU A 143 -10.262 -0.590 -5.100 1.00 0.00 C ATOM 1679 C LEU A 143 -11.370 -1.218 -5.996 1.00 0.00 C ATOM 1680 O LEU A 143 -12.496 -0.712 -6.054 1.00 0.00 O ATOM 1681 CB LEU A 143 -10.778 -0.387 -3.636 1.00 0.00 C ATOM 1682 CG LEU A 143 -9.795 -0.533 -2.444 1.00 0.00 C ATOM 1683 CD1 LEU A 143 -9.445 -2.004 -2.144 1.00 0.00 C ATOM 1684 CD2 LEU A 143 -8.540 0.351 -2.552 1.00 0.00 C ATOM 0 H LEU A 143 -10.199 1.524 -5.173 1.00 0.00 H new ATOM 0 HA LEU A 143 -9.414 -1.274 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -11.211 0.612 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -11.590 -1.096 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 143 -10.343 -0.151 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -8.755 -2.049 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -10.355 -2.551 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -8.978 -2.453 -3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -7.905 0.190 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -7.989 0.091 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -8.836 1.399 -2.596 1.00 0.00 H new ATOM 1696 N LYS A 144 -11.037 -2.333 -6.677 1.00 0.00 N ATOM 1697 CA LYS A 144 -12.023 -3.101 -7.496 1.00 0.00 C ATOM 1698 C LYS A 144 -12.859 -4.111 -6.645 1.00 0.00 C ATOM 1699 O LYS A 144 -14.091 -4.038 -6.681 1.00 0.00 O ATOM 1700 CB LYS A 144 -11.357 -3.762 -8.737 1.00 0.00 C ATOM 1701 CG LYS A 144 -10.725 -2.777 -9.756 1.00 0.00 C ATOM 1702 CD LYS A 144 -10.419 -3.385 -11.145 1.00 0.00 C ATOM 1703 CE LYS A 144 -9.207 -4.335 -11.162 1.00 0.00 C ATOM 1704 NZ LYS A 144 -8.891 -4.742 -12.559 1.00 0.00 N ATOM 0 H LYS A 144 -10.097 -2.729 -6.682 1.00 0.00 H new ATOM 0 HA LYS A 144 -12.742 -2.377 -7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -10.583 -4.447 -8.391 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -12.106 -4.362 -9.254 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -11.399 -1.930 -9.887 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -9.799 -2.386 -9.335 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -11.298 -3.928 -11.494 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -10.243 -2.575 -11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -8.343 -3.842 -10.715 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -9.419 -5.217 -10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -8.082 -5.396 -12.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -9.717 -5.215 -12.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -8.653 -3.900 -13.120 1.00 0.00 H new ATOM 1718 N THR A 145 -12.205 -5.035 -5.907 1.00 0.00 N ATOM 1719 CA THR A 145 -12.893 -5.981 -4.984 1.00 0.00 C ATOM 1720 C THR A 145 -12.100 -6.051 -3.647 1.00 0.00 C ATOM 1721 O THR A 145 -10.879 -6.231 -3.640 1.00 0.00 O ATOM 1722 CB THR A 145 -13.080 -7.413 -5.574 1.00 0.00 C ATOM 1723 OG1 THR A 145 -11.829 -7.989 -5.945 1.00 0.00 O ATOM 1724 CG2 THR A 145 -14.038 -7.511 -6.774 1.00 0.00 C ATOM 0 H THR A 145 -11.192 -5.150 -5.930 1.00 0.00 H new ATOM 0 HA THR A 145 -13.899 -5.594 -4.821 1.00 0.00 H new ATOM 0 HB THR A 145 -13.542 -7.969 -4.758 1.00 0.00 H new ATOM 0 HG1 THR A 145 -11.977 -8.886 -6.310 1.00 0.00 H new ATOM 0 HG21 THR A 145 -14.098 -8.547 -7.108 1.00 0.00 H new ATOM 0 HG22 THR A 145 -15.029 -7.168 -6.477 1.00 0.00 H new ATOM 0 HG23 THR A 145 -13.667 -6.888 -7.588 1.00 0.00 H new ATOM 1732 N ALA A 146 -12.833 -5.965 -2.523 1.00 0.00 N ATOM 1733 CA ALA A 146 -12.300 -6.279 -1.172 1.00 0.00 C ATOM 1734 C ALA A 146 -13.115 -7.476 -0.623 1.00 0.00 C ATOM 1735 O ALA A 146 -14.297 -7.333 -0.284 1.00 0.00 O ATOM 1736 CB ALA A 146 -12.406 -5.039 -0.264 1.00 0.00 C ATOM 0 H ALA A 146 -13.811 -5.677 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 146 -11.244 -6.548 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -12.013 -5.277 0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -11.829 -4.221 -0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -13.451 -4.740 -0.177 1.00 0.00 H new ATOM 1742 N VAL A 147 -12.480 -8.661 -0.585 1.00 0.00 N ATOM 1743 CA VAL A 147 -13.168 -9.955 -0.292 1.00 0.00 C ATOM 1744 C VAL A 147 -12.358 -10.764 0.762 1.00 0.00 C ATOM 1745 O VAL A 147 -11.141 -10.940 0.641 1.00 0.00 O ATOM 1746 CB VAL A 147 -13.465 -10.806 -1.578 1.00 0.00 C ATOM 1747 CG1 VAL A 147 -14.593 -10.189 -2.433 1.00 0.00 C ATOM 1748 CG2 VAL A 147 -12.244 -11.140 -2.470 1.00 0.00 C ATOM 0 H VAL A 147 -11.479 -8.761 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 147 -14.146 -9.713 0.125 1.00 0.00 H new ATOM 0 HB VAL A 147 -13.790 -11.762 -1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -14.765 -10.810 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -15.508 -10.134 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -14.304 -9.187 -2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -12.570 -11.730 -3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -11.785 -10.215 -2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -11.517 -11.710 -1.892 1.00 0.00 H new ATOM 1758 N ASP A 148 -13.073 -11.292 1.773 1.00 0.00 N ATOM 1759 CA ASP A 148 -12.470 -12.099 2.871 1.00 0.00 C ATOM 1760 C ASP A 148 -12.363 -13.604 2.459 1.00 0.00 C ATOM 1761 O ASP A 148 -13.362 -14.339 2.451 1.00 0.00 O ATOM 1762 CB ASP A 148 -13.311 -11.932 4.166 1.00 0.00 C ATOM 1763 CG ASP A 148 -13.278 -10.550 4.816 1.00 0.00 C ATOM 1764 OD1 ASP A 148 -12.295 -10.246 5.524 1.00 0.00 O ATOM 1765 OD2 ASP A 148 -14.238 -9.773 4.629 1.00 0.00 O ATOM 0 H ASP A 148 -14.083 -11.176 1.859 1.00 0.00 H new ATOM 0 HA ASP A 148 -11.459 -11.738 3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -14.348 -12.178 3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -12.965 -12.663 4.897 1.00 0.00 H new ATOM 1770 N GLY A 149 -11.141 -14.047 2.119 1.00 0.00 N ATOM 1771 CA GLY A 149 -10.897 -15.455 1.744 1.00 0.00 C ATOM 1772 C GLY A 149 -9.495 -15.657 1.126 1.00 0.00 C ATOM 1773 O GLY A 149 -9.395 -15.491 -0.092 1.00 0.00 O ATOM 0 H GLY A 149 -10.310 -13.457 2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -10.999 -16.087 2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -11.657 -15.777 1.032 1.00 0.00 H new