USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 712 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 85 HIS : no HD1:sc= -0.68 K(o=-5.9,f=-8.1!) USER MOD Set 1.2: A 86 CYS SG : rot -120:sc= -0.894 USER MOD Set 1.3: A 91 HIS : no HD1:sc= -4.05! C(o=-5.9!,f=-7.1!) USER MOD Set 1.4: A 98 HIS :FLIP no HD1:sc= -0.318 F(o=-7.5,f=-5.9) USER MOD Set 2.1: A 19 GLN : amide:sc= 0.0688 K(o=-0.28,f=-1.3) USER MOD Set 2.2: A 46 GLN :FLIP amide:sc= -0.351 F(o=-3.6,f=-0.28) USER MOD Single : A 6 THR OG1 : rot -14:sc= 0.629 USER MOD Single : A 8 HIS : no HD1:sc= -0.929 K(o=-0.93,f=-1.7) USER MOD Single : A 10 GLN : amide:sc= -0.0502 K(o=-0.05,f=-0.71) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.172 K(o=-0.17,f=-0.78) USER MOD Single : A 22 CYS SG : rot 180:sc= 0.416 USER MOD Single : A 23 ASN : amide:sc=-0.00962 X(o=-0.0096,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0453 USER MOD Single : A 31 ASN : amide:sc= -0.185 K(o=-0.19,f=-2.5!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0664 USER MOD Single : A 55 ASN :FLIP amide:sc= 0 F(o=-0.84!,f=0) USER MOD Single : A 57 HIS : no HE2:sc= -0.0412 K(o=-0.041,f=-2.2) USER MOD Single : A 58 CYS SG : rot -160:sc= -1.27 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.35 F(o=-1.3,f=-0.35) USER MOD Single : A 68 HIS : no HD1:sc= -0.642 X(o=-0.64,f=-0.9) USER MOD Single : A 79 ASN : amide:sc=-0.00713 K(o=-0.0071,f=-2!) USER MOD Single : A 88 THR OG1 : rot -23:sc= 0.023 USER MOD Single : A 100 HIS : no HD1:sc= -0.307 X(o=-0.31,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0898 USER MOD Single : A 103 MET CE :methyl -174:sc= -0.0991 (180deg=-0.193) USER MOD Single : A 110 ASN : amide:sc= 0.479 X(o=0.48,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 6 -13.106 -5.328 3.644 1.00 0.00 N ATOM 60 CA THR A 6 -11.835 -4.876 4.166 1.00 0.00 C ATOM 61 C THR A 6 -10.792 -5.985 4.030 1.00 0.00 C ATOM 62 O THR A 6 -11.152 -7.169 3.985 1.00 0.00 O ATOM 63 CB THR A 6 -12.017 -4.513 5.650 1.00 0.00 C ATOM 64 OG1 THR A 6 -13.021 -5.320 6.255 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.407 -3.046 5.778 1.00 0.00 C ATOM 0 HA THR A 6 -11.493 -4.005 3.607 1.00 0.00 H new ATOM 0 HB THR A 6 -11.071 -4.693 6.161 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.539 -5.774 5.558 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.535 -2.794 6.831 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.623 -2.422 5.348 1.00 0.00 H new ATOM 0 HG23 THR A 6 -13.343 -2.871 5.247 1.00 0.00 H new ATOM 73 N PRO A 7 -9.499 -5.618 4.016 1.00 0.00 N ATOM 74 CA PRO A 7 -8.431 -6.593 3.953 1.00 0.00 C ATOM 75 C PRO A 7 -8.226 -7.271 5.319 1.00 0.00 C ATOM 76 O PRO A 7 -8.265 -8.499 5.426 1.00 0.00 O ATOM 77 CB PRO A 7 -7.207 -5.803 3.477 1.00 0.00 C ATOM 78 CG PRO A 7 -7.454 -4.384 3.990 1.00 0.00 C ATOM 79 CD PRO A 7 -8.974 -4.258 3.926 1.00 0.00 C ATOM 0 HA PRO A 7 -8.644 -7.416 3.271 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.284 -6.218 3.881 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.117 -5.824 2.391 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.080 -4.251 5.005 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.960 -3.638 3.368 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.348 -3.641 4.743 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.286 -3.781 2.997 1.00 0.00 H new ATOM 87 N HIS A 8 -8.004 -6.477 6.372 1.00 0.00 N ATOM 88 CA HIS A 8 -7.754 -6.923 7.736 1.00 0.00 C ATOM 89 C HIS A 8 -8.276 -5.837 8.685 1.00 0.00 C ATOM 90 O HIS A 8 -8.168 -4.657 8.341 1.00 0.00 O ATOM 91 CB HIS A 8 -6.237 -7.113 7.928 1.00 0.00 C ATOM 92 CG HIS A 8 -5.880 -7.978 9.101 1.00 0.00 C ATOM 93 ND1 HIS A 8 -5.355 -7.540 10.294 1.00 0.00 N ATOM 94 CD2 HIS A 8 -6.057 -9.335 9.185 1.00 0.00 C ATOM 95 CE1 HIS A 8 -5.283 -8.601 11.111 1.00 0.00 C ATOM 96 NE2 HIS A 8 -5.709 -9.714 10.487 1.00 0.00 N ATOM 0 H HIS A 8 -7.994 -5.461 6.287 1.00 0.00 H new ATOM 0 HA HIS A 8 -8.256 -7.869 7.941 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.818 -7.553 7.023 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.771 -6.136 8.053 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.400 -9.988 8.396 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.931 -8.567 12.131 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.767 -10.651 10.885 1.00 0.00 H new ATOM 104 N PRO A 9 -8.785 -6.162 9.885 1.00 0.00 N ATOM 105 CA PRO A 9 -9.235 -5.163 10.850 1.00 0.00 C ATOM 106 C PRO A 9 -8.067 -4.365 11.431 1.00 0.00 C ATOM 107 O PRO A 9 -8.199 -3.162 11.654 1.00 0.00 O ATOM 108 CB PRO A 9 -9.971 -5.946 11.942 1.00 0.00 C ATOM 109 CG PRO A 9 -9.328 -7.329 11.865 1.00 0.00 C ATOM 110 CD PRO A 9 -9.094 -7.492 10.367 1.00 0.00 C ATOM 0 HA PRO A 9 -9.883 -4.425 10.377 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.837 -5.493 12.924 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.044 -5.989 11.755 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.397 -7.377 12.430 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.983 -8.105 12.262 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.275 -8.183 10.169 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.977 -7.895 9.872 1.00 0.00 H new ATOM 118 N GLN A 10 -6.934 -5.027 11.693 1.00 0.00 N ATOM 119 CA GLN A 10 -5.778 -4.394 12.324 1.00 0.00 C ATOM 120 C GLN A 10 -5.055 -3.431 11.377 1.00 0.00 C ATOM 121 O GLN A 10 -4.279 -2.615 11.869 1.00 0.00 O ATOM 122 CB GLN A 10 -4.801 -5.461 12.866 1.00 0.00 C ATOM 123 CG GLN A 10 -4.369 -5.246 14.335 1.00 0.00 C ATOM 124 CD GLN A 10 -2.865 -5.051 14.553 1.00 0.00 C ATOM 125 OE1 GLN A 10 -2.041 -5.575 13.811 1.00 0.00 O ATOM 126 NE2 GLN A 10 -2.483 -4.332 15.596 1.00 0.00 N ATOM 0 H GLN A 10 -6.796 -6.013 11.473 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.152 -3.802 13.159 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.268 -6.442 12.778 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.911 -5.474 12.237 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.892 -4.374 14.726 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.696 -6.104 14.922 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.181 -3.903 16.203 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.490 -4.207 15.793 1.00 0.00 H new ATOM 135 N LEU A 11 -5.287 -3.529 10.055 1.00 0.00 N ATOM 136 CA LEU A 11 -4.808 -2.545 9.086 1.00 0.00 C ATOM 137 C LEU A 11 -5.373 -1.169 9.441 1.00 0.00 C ATOM 138 O LEU A 11 -6.599 -1.014 9.485 1.00 0.00 O ATOM 139 CB LEU A 11 -5.215 -2.955 7.659 1.00 0.00 C ATOM 140 CG LEU A 11 -4.837 -1.894 6.599 1.00 0.00 C ATOM 141 CD1 LEU A 11 -4.108 -2.538 5.416 1.00 0.00 C ATOM 142 CD2 LEU A 11 -6.055 -1.117 6.082 1.00 0.00 C ATOM 0 H LEU A 11 -5.813 -4.296 9.635 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.720 -2.500 9.122 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.735 -3.901 7.407 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.291 -3.125 7.628 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.175 -1.187 7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.853 -1.771 4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.196 -3.020 5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.755 -3.282 4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.732 -0.386 5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.761 -1.810 5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.538 -0.603 6.913 1.00 0.00 H new ATOM 154 N ILE A 12 -4.486 -0.195 9.655 1.00 0.00 N ATOM 155 CA ILE A 12 -4.836 1.196 9.927 1.00 0.00 C ATOM 156 C ILE A 12 -4.437 2.010 8.709 1.00 0.00 C ATOM 157 O ILE A 12 -3.261 2.076 8.359 1.00 0.00 O ATOM 158 CB ILE A 12 -4.146 1.722 11.204 1.00 0.00 C ATOM 159 CG1 ILE A 12 -4.417 0.828 12.428 1.00 0.00 C ATOM 160 CG2 ILE A 12 -4.547 3.173 11.526 1.00 0.00 C ATOM 161 CD1 ILE A 12 -5.894 0.610 12.760 1.00 0.00 C ATOM 0 H ILE A 12 -3.479 -0.359 9.643 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.907 1.282 10.109 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.078 1.696 10.990 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.952 -0.143 12.259 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.927 1.269 13.296 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.037 3.499 12.432 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.264 3.821 10.697 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.625 3.228 11.677 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.979 -0.032 13.637 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.366 1.570 12.967 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.391 0.136 11.914 1.00 0.00 H new ATOM 173 N TRP A 13 -5.430 2.620 8.067 1.00 0.00 N ATOM 174 CA TRP A 13 -5.234 3.528 6.949 1.00 0.00 C ATOM 175 C TRP A 13 -4.279 4.668 7.324 1.00 0.00 C ATOM 176 O TRP A 13 -4.252 5.081 8.487 1.00 0.00 O ATOM 177 CB TRP A 13 -6.599 4.070 6.524 1.00 0.00 C ATOM 178 CG TRP A 13 -7.593 2.994 6.203 1.00 0.00 C ATOM 179 CD1 TRP A 13 -8.565 2.526 7.022 1.00 0.00 C ATOM 180 CD2 TRP A 13 -7.642 2.165 5.007 1.00 0.00 C ATOM 181 NE1 TRP A 13 -9.188 1.446 6.428 1.00 0.00 N ATOM 182 CE2 TRP A 13 -8.623 1.151 5.205 1.00 0.00 C ATOM 183 CE3 TRP A 13 -6.940 2.165 3.782 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -8.855 0.144 4.259 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -7.198 1.184 2.806 1.00 0.00 C ATOM 186 CH2 TRP A 13 -8.135 0.162 3.056 1.00 0.00 C ATOM 0 H TRP A 13 -6.411 2.492 8.317 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.776 2.993 6.117 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.998 4.696 7.322 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.472 4.709 5.650 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -8.814 2.934 7.990 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.966 0.932 6.841 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.197 2.926 3.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -9.578 -0.635 4.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.675 1.215 1.861 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -8.299 -0.610 2.319 1.00 0.00 H new ATOM 197 N PRO A 14 -3.561 5.242 6.350 1.00 0.00 N ATOM 198 CA PRO A 14 -3.603 4.866 4.941 1.00 0.00 C ATOM 199 C PRO A 14 -2.896 3.533 4.660 1.00 0.00 C ATOM 200 O PRO A 14 -2.293 2.950 5.560 1.00 0.00 O ATOM 201 CB PRO A 14 -2.887 5.988 4.223 1.00 0.00 C ATOM 202 CG PRO A 14 -1.875 6.489 5.250 1.00 0.00 C ATOM 203 CD PRO A 14 -2.604 6.309 6.572 1.00 0.00 C ATOM 0 HA PRO A 14 -4.633 4.726 4.612 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.396 5.634 3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.577 6.777 3.924 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.950 5.913 5.218 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.607 7.531 5.076 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.909 6.051 7.371 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.106 7.229 6.871 1.00 0.00 H new ATOM 211 N ALA A 15 -2.978 3.040 3.422 1.00 0.00 N ATOM 212 CA ALA A 15 -2.318 1.812 3.014 1.00 0.00 C ATOM 213 C ALA A 15 -1.689 1.937 1.626 1.00 0.00 C ATOM 214 O ALA A 15 -1.871 2.935 0.931 1.00 0.00 O ATOM 215 CB ALA A 15 -3.330 0.666 3.067 1.00 0.00 C ATOM 0 H ALA A 15 -3.509 3.489 2.675 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.499 1.605 3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.845 -0.262 2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.708 0.561 4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.159 0.881 2.392 1.00 0.00 H new ATOM 221 N LEU A 16 -0.939 0.908 1.229 1.00 0.00 N ATOM 222 CA LEU A 16 -0.175 0.832 -0.010 1.00 0.00 C ATOM 223 C LEU A 16 -0.301 -0.569 -0.594 1.00 0.00 C ATOM 224 O LEU A 16 0.247 -1.511 -0.017 1.00 0.00 O ATOM 225 CB LEU A 16 1.308 1.135 0.272 1.00 0.00 C ATOM 226 CG LEU A 16 1.664 2.630 0.298 1.00 0.00 C ATOM 227 CD1 LEU A 16 3.118 2.752 0.764 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.566 3.306 -1.075 1.00 0.00 C ATOM 0 H LEU A 16 -0.846 0.064 1.794 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.564 1.564 -0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.579 0.694 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.916 0.644 -0.488 1.00 0.00 H new ATOM 0 HG LEU A 16 0.952 3.123 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.404 3.804 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.218 2.320 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.768 2.219 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.831 4.359 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.251 2.820 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.546 3.220 -1.451 1.00 0.00 H new ATOM 240 N LEU A 17 -1.007 -0.709 -1.719 1.00 0.00 N ATOM 241 CA LEU A 17 -1.017 -1.923 -2.546 1.00 0.00 C ATOM 242 C LEU A 17 0.147 -1.838 -3.540 1.00 0.00 C ATOM 243 O LEU A 17 0.479 -0.728 -3.966 1.00 0.00 O ATOM 244 CB LEU A 17 -2.358 -1.969 -3.303 1.00 0.00 C ATOM 245 CG LEU A 17 -2.670 -3.259 -4.095 1.00 0.00 C ATOM 246 CD1 LEU A 17 -3.296 -4.336 -3.202 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.666 -2.930 -5.206 1.00 0.00 C ATOM 0 H LEU A 17 -1.601 0.033 -2.090 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.907 -2.821 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.160 -1.811 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.384 -1.130 -3.998 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.731 -3.639 -4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.501 -5.227 -3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.606 -4.587 -2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.227 -3.961 -2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.893 -3.834 -5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.583 -2.536 -4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.234 -2.184 -5.873 1.00 0.00 H new ATOM 259 N LYS A 18 0.731 -2.961 -3.983 1.00 0.00 N ATOM 260 CA LYS A 18 1.701 -2.965 -5.083 1.00 0.00 C ATOM 261 C LYS A 18 1.407 -4.157 -5.987 1.00 0.00 C ATOM 262 O LYS A 18 2.019 -5.212 -5.831 1.00 0.00 O ATOM 263 CB LYS A 18 3.150 -2.952 -4.546 1.00 0.00 C ATOM 264 CG LYS A 18 4.082 -2.122 -5.437 1.00 0.00 C ATOM 265 CD LYS A 18 4.335 -2.689 -6.835 1.00 0.00 C ATOM 266 CE LYS A 18 4.811 -4.143 -6.845 1.00 0.00 C ATOM 267 NZ LYS A 18 6.168 -4.346 -6.300 1.00 0.00 N ATOM 0 H LYS A 18 0.545 -3.884 -3.591 1.00 0.00 H new ATOM 0 HA LYS A 18 1.603 -2.057 -5.678 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.159 -2.547 -3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.523 -3.974 -4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.661 -1.122 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.040 -2.014 -4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.416 -2.615 -7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.080 -2.071 -7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.108 -4.746 -6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.785 -4.514 -7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.412 -5.356 -6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.853 -3.800 -6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.196 -4.025 -5.311 1.00 0.00 H new ATOM 281 N GLN A 19 0.477 -3.980 -6.927 1.00 0.00 N ATOM 282 CA GLN A 19 -0.077 -5.075 -7.701 1.00 0.00 C ATOM 283 C GLN A 19 1.024 -5.913 -8.340 1.00 0.00 C ATOM 284 O GLN A 19 1.994 -5.376 -8.892 1.00 0.00 O ATOM 285 CB GLN A 19 -1.048 -4.533 -8.755 1.00 0.00 C ATOM 286 CG GLN A 19 -2.475 -5.070 -8.588 1.00 0.00 C ATOM 287 CD GLN A 19 -2.767 -6.301 -9.453 1.00 0.00 C ATOM 288 OE1 GLN A 19 -2.281 -6.441 -10.572 1.00 0.00 O ATOM 289 NE2 GLN A 19 -3.632 -7.200 -9.026 1.00 0.00 N ATOM 0 H GLN A 19 0.090 -3.067 -7.168 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.629 -5.731 -7.028 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -1.066 -3.445 -8.698 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.681 -4.794 -9.748 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.640 -5.324 -7.541 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.184 -4.281 -8.840 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.050 -7.106 -8.100 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.883 -7.989 -9.621 1.00 0.00 H new ATOM 298 N GLN A 20 0.874 -7.228 -8.220 1.00 0.00 N ATOM 299 CA GLN A 20 1.905 -8.176 -8.537 1.00 0.00 C ATOM 300 C GLN A 20 2.209 -8.095 -10.029 1.00 0.00 C ATOM 301 O GLN A 20 1.319 -8.192 -10.877 1.00 0.00 O ATOM 302 CB GLN A 20 1.494 -9.588 -8.099 1.00 0.00 C ATOM 303 CG GLN A 20 2.768 -10.413 -7.933 1.00 0.00 C ATOM 304 CD GLN A 20 2.536 -11.901 -7.702 1.00 0.00 C ATOM 305 OE1 GLN A 20 2.751 -12.402 -6.604 1.00 0.00 O ATOM 306 NE2 GLN A 20 2.169 -12.654 -8.720 1.00 0.00 N ATOM 0 H GLN A 20 0.010 -7.661 -7.892 1.00 0.00 H new ATOM 0 HA GLN A 20 2.817 -7.936 -7.990 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.938 -9.551 -7.162 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.838 -10.043 -8.841 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.384 -10.289 -8.824 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.337 -10.013 -7.094 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.992 -12.230 -9.630 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.062 -13.661 -8.597 1.00 0.00 H new ATOM 315 N GLY A 21 3.483 -7.893 -10.340 1.00 0.00 N ATOM 316 CA GLY A 21 3.979 -7.752 -11.696 1.00 0.00 C ATOM 317 C GLY A 21 4.163 -6.289 -12.093 1.00 0.00 C ATOM 318 O GLY A 21 4.927 -6.029 -13.026 1.00 0.00 O ATOM 0 H GLY A 21 4.216 -7.821 -9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.931 -8.275 -11.789 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.284 -8.230 -12.387 1.00 0.00 H new ATOM 322 N CYS A 22 3.517 -5.336 -11.410 1.00 0.00 N ATOM 323 CA CYS A 22 3.722 -3.912 -11.635 1.00 0.00 C ATOM 324 C CYS A 22 4.860 -3.403 -10.754 1.00 0.00 C ATOM 325 O CYS A 22 5.484 -4.140 -9.986 1.00 0.00 O ATOM 326 CB CYS A 22 2.421 -3.153 -11.303 1.00 0.00 C ATOM 327 SG CYS A 22 2.279 -1.620 -12.266 1.00 0.00 S ATOM 0 H CYS A 22 2.833 -5.540 -10.681 1.00 0.00 H new ATOM 0 HA CYS A 22 3.985 -3.744 -12.679 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.563 -3.793 -11.508 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.397 -2.919 -10.239 1.00 0.00 H new ATOM 0 HG CYS A 22 1.170 -1.015 -11.958 1.00 0.00 H new ATOM 333 N ASN A 23 5.094 -2.095 -10.835 1.00 0.00 N ATOM 334 CA ASN A 23 5.994 -1.358 -9.956 1.00 0.00 C ATOM 335 C ASN A 23 5.274 -0.158 -9.357 1.00 0.00 C ATOM 336 O ASN A 23 5.791 0.436 -8.416 1.00 0.00 O ATOM 337 CB ASN A 23 7.265 -0.904 -10.707 1.00 0.00 C ATOM 338 CG ASN A 23 7.916 -2.075 -11.422 1.00 0.00 C ATOM 339 OD1 ASN A 23 8.680 -2.826 -10.826 1.00 0.00 O ATOM 340 ND2 ASN A 23 7.542 -2.333 -12.661 1.00 0.00 N ATOM 0 H ASN A 23 4.648 -1.503 -11.536 1.00 0.00 H new ATOM 0 HA ASN A 23 6.303 -2.025 -9.151 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.009 -0.128 -11.429 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.971 -0.464 -10.003 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.889 -3.167 -13.135 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.906 -1.699 -13.144 1.00 0.00 H new ATOM 347 N GLU A 24 4.096 0.215 -9.865 1.00 0.00 N ATOM 348 CA GLU A 24 3.414 1.402 -9.377 1.00 0.00 C ATOM 349 C GLU A 24 2.790 1.051 -8.021 1.00 0.00 C ATOM 350 O GLU A 24 2.109 0.031 -7.892 1.00 0.00 O ATOM 351 CB GLU A 24 2.392 1.881 -10.417 1.00 0.00 C ATOM 352 CG GLU A 24 1.949 3.320 -10.127 1.00 0.00 C ATOM 353 CD GLU A 24 0.897 3.800 -11.127 1.00 0.00 C ATOM 354 OE1 GLU A 24 -0.299 3.498 -10.910 1.00 0.00 O ATOM 355 OE2 GLU A 24 1.255 4.460 -12.123 1.00 0.00 O ATOM 0 H GLU A 24 3.605 -0.286 -10.605 1.00 0.00 H new ATOM 0 HA GLU A 24 4.100 2.236 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.828 1.825 -11.414 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.525 1.221 -10.411 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.545 3.380 -9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.814 3.982 -10.164 1.00 0.00 H new ATOM 362 N LEU A 25 3.076 1.843 -6.987 1.00 0.00 N ATOM 363 CA LEU A 25 2.364 1.769 -5.713 1.00 0.00 C ATOM 364 C LEU A 25 0.998 2.414 -5.878 1.00 0.00 C ATOM 365 O LEU A 25 0.904 3.419 -6.579 1.00 0.00 O ATOM 366 CB LEU A 25 3.120 2.527 -4.602 1.00 0.00 C ATOM 367 CG LEU A 25 4.028 1.656 -3.724 1.00 0.00 C ATOM 368 CD1 LEU A 25 3.242 0.566 -2.992 1.00 0.00 C ATOM 369 CD2 LEU A 25 5.192 1.067 -4.520 1.00 0.00 C ATOM 0 H LEU A 25 3.808 2.553 -7.010 1.00 0.00 H new ATOM 0 HA LEU A 25 2.279 0.720 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.726 3.307 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.391 3.025 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 25 4.453 2.311 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.924 -0.027 -2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.490 1.027 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.751 -0.080 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.811 0.457 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.803 0.449 -5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.793 1.875 -4.937 1.00 0.00 H new ATOM 381 N LEU A 26 0.013 1.891 -5.148 1.00 0.00 N ATOM 382 CA LEU A 26 -1.354 2.394 -5.054 1.00 0.00 C ATOM 383 C LEU A 26 -1.565 3.019 -3.666 1.00 0.00 C ATOM 384 O LEU A 26 -1.841 2.276 -2.718 1.00 0.00 O ATOM 385 CB LEU A 26 -2.392 1.303 -5.388 1.00 0.00 C ATOM 386 CG LEU A 26 -3.501 1.767 -6.346 1.00 0.00 C ATOM 387 CD1 LEU A 26 -4.235 3.030 -5.881 1.00 0.00 C ATOM 388 CD2 LEU A 26 -2.948 1.945 -7.762 1.00 0.00 C ATOM 0 H LEU A 26 0.157 1.059 -4.576 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.506 3.171 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.878 0.450 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.849 0.955 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.250 0.975 -6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.002 3.294 -6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.702 2.844 -4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.524 3.851 -5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.747 2.274 -8.426 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.155 2.692 -7.751 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.548 0.996 -8.118 1.00 0.00 H new ATOM 400 N PRO A 27 -1.250 4.311 -3.469 1.00 0.00 N ATOM 401 CA PRO A 27 -1.455 5.006 -2.202 1.00 0.00 C ATOM 402 C PRO A 27 -2.952 5.124 -1.909 1.00 0.00 C ATOM 403 O PRO A 27 -3.657 5.836 -2.617 1.00 0.00 O ATOM 404 CB PRO A 27 -0.804 6.381 -2.399 1.00 0.00 C ATOM 405 CG PRO A 27 -0.965 6.642 -3.892 1.00 0.00 C ATOM 406 CD PRO A 27 -0.840 5.253 -4.503 1.00 0.00 C ATOM 0 HA PRO A 27 -1.018 4.481 -1.352 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.298 7.148 -1.802 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.245 6.374 -2.104 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.929 7.097 -4.120 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.197 7.318 -4.268 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.471 5.159 -5.387 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.184 5.059 -4.821 1.00 0.00 H new ATOM 414 N LEU A 28 -3.456 4.450 -0.872 1.00 0.00 N ATOM 415 CA LEU A 28 -4.879 4.463 -0.542 1.00 0.00 C ATOM 416 C LEU A 28 -5.062 5.198 0.768 1.00 0.00 C ATOM 417 O LEU A 28 -4.698 4.714 1.841 1.00 0.00 O ATOM 418 CB LEU A 28 -5.520 3.068 -0.538 1.00 0.00 C ATOM 419 CG LEU A 28 -5.299 2.300 -1.859 1.00 0.00 C ATOM 420 CD1 LEU A 28 -4.809 0.878 -1.573 1.00 0.00 C ATOM 421 CD2 LEU A 28 -6.579 2.292 -2.688 1.00 0.00 C ATOM 0 H LEU A 28 -2.890 3.883 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.414 4.993 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.108 2.487 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.590 3.166 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.529 2.808 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.658 0.349 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.868 0.921 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.552 0.350 -0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.408 1.747 -3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.375 1.806 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.870 3.317 -2.917 1.00 0.00 H new ATOM 433 N ARG A 29 -5.618 6.399 0.651 1.00 0.00 N ATOM 434 CA ARG A 29 -5.846 7.358 1.727 1.00 0.00 C ATOM 435 C ARG A 29 -6.575 6.723 2.895 1.00 0.00 C ATOM 436 O ARG A 29 -6.197 6.937 4.044 1.00 0.00 O ATOM 437 CB ARG A 29 -6.678 8.532 1.164 1.00 0.00 C ATOM 438 CG ARG A 29 -5.883 9.831 1.073 1.00 0.00 C ATOM 439 CD ARG A 29 -5.886 10.532 2.441 1.00 0.00 C ATOM 440 NE ARG A 29 -5.360 11.902 2.366 1.00 0.00 N ATOM 441 CZ ARG A 29 -6.040 12.949 1.884 1.00 0.00 C ATOM 442 NH1 ARG A 29 -7.318 12.816 1.539 1.00 0.00 N ATOM 443 NH2 ARG A 29 -5.445 14.127 1.747 1.00 0.00 N ATOM 0 H ARG A 29 -5.941 6.750 -0.251 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.883 7.711 2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.047 8.267 0.173 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.551 8.689 1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.859 9.622 0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.319 10.484 0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.903 10.556 2.832 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.288 9.953 3.145 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.412 12.066 2.704 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.783 11.914 1.642 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.833 13.616 1.172 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.466 14.237 2.009 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.967 14.922 1.379 1.00 0.00 H new ATOM 457 N THR A 30 -7.649 6.000 2.597 1.00 0.00 N ATOM 458 CA THR A 30 -8.594 5.528 3.581 1.00 0.00 C ATOM 459 C THR A 30 -9.437 4.436 2.960 1.00 0.00 C ATOM 460 O THR A 30 -9.268 4.063 1.797 1.00 0.00 O ATOM 461 CB THR A 30 -9.398 6.724 4.116 1.00 0.00 C ATOM 462 OG1 THR A 30 -10.091 6.425 5.304 1.00 0.00 O ATOM 463 CG2 THR A 30 -10.313 7.416 3.103 1.00 0.00 C ATOM 0 H THR A 30 -7.884 5.725 1.644 1.00 0.00 H new ATOM 0 HA THR A 30 -8.100 5.083 4.445 1.00 0.00 H new ATOM 0 HB THR A 30 -8.625 7.458 4.342 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.584 7.217 5.603 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.831 8.244 3.587 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.716 7.796 2.274 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.044 6.701 2.726 1.00 0.00 H new ATOM 471 N ASN A 31 -10.360 3.922 3.752 1.00 0.00 N ATOM 472 CA ASN A 31 -11.196 2.807 3.373 1.00 0.00 C ATOM 473 C ASN A 31 -12.183 3.170 2.262 1.00 0.00 C ATOM 474 O ASN A 31 -12.650 2.280 1.550 1.00 0.00 O ATOM 475 CB ASN A 31 -11.929 2.318 4.619 1.00 0.00 C ATOM 476 CG ASN A 31 -12.106 0.802 4.625 1.00 0.00 C ATOM 477 OD1 ASN A 31 -12.234 0.193 5.679 1.00 0.00 O ATOM 478 ND2 ASN A 31 -12.179 0.133 3.480 1.00 0.00 N ATOM 0 H ASN A 31 -10.550 4.276 4.690 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.567 2.014 2.967 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.375 2.621 5.507 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.907 2.797 4.675 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.340 -0.874 3.487 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.074 0.626 2.593 1.00 0.00 H new ATOM 485 N ASP A 32 -12.489 4.458 2.094 1.00 0.00 N ATOM 486 CA ASP A 32 -13.230 4.971 0.942 1.00 0.00 C ATOM 487 C ASP A 32 -12.378 4.892 -0.325 1.00 0.00 C ATOM 488 O ASP A 32 -12.899 4.640 -1.404 1.00 0.00 O ATOM 489 CB ASP A 32 -13.629 6.441 1.137 1.00 0.00 C ATOM 490 CG ASP A 32 -14.619 6.680 2.265 1.00 0.00 C ATOM 491 OD1 ASP A 32 -15.623 5.942 2.350 1.00 0.00 O ATOM 492 OD2 ASP A 32 -14.430 7.655 3.030 1.00 0.00 O ATOM 0 H ASP A 32 -12.226 5.182 2.763 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.124 4.354 0.847 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.730 7.026 1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.059 6.814 0.208 1.00 0.00 H new ATOM 497 N ASP A 33 -11.064 5.107 -0.215 1.00 0.00 N ATOM 498 CA ASP A 33 -10.128 5.013 -1.340 1.00 0.00 C ATOM 499 C ASP A 33 -10.041 3.563 -1.808 1.00 0.00 C ATOM 500 O ASP A 33 -10.109 3.266 -2.995 1.00 0.00 O ATOM 501 CB ASP A 33 -8.740 5.525 -0.933 1.00 0.00 C ATOM 502 CG ASP A 33 -7.890 5.980 -2.118 1.00 0.00 C ATOM 503 OD1 ASP A 33 -8.175 5.587 -3.270 1.00 0.00 O ATOM 504 OD2 ASP A 33 -6.957 6.764 -1.838 1.00 0.00 O ATOM 0 H ASP A 33 -10.615 5.354 0.667 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.492 5.635 -2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.857 6.357 -0.239 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.212 4.735 -0.398 1.00 0.00 H new ATOM 509 N TRP A 34 -10.003 2.628 -0.855 1.00 0.00 N ATOM 510 CA TRP A 34 -10.076 1.201 -1.143 1.00 0.00 C ATOM 511 C TRP A 34 -11.321 0.866 -1.993 1.00 0.00 C ATOM 512 O TRP A 34 -11.242 0.078 -2.938 1.00 0.00 O ATOM 513 CB TRP A 34 -10.048 0.436 0.179 1.00 0.00 C ATOM 514 CG TRP A 34 -10.036 -1.055 0.084 1.00 0.00 C ATOM 515 CD1 TRP A 34 -11.081 -1.891 0.273 1.00 0.00 C ATOM 516 CD2 TRP A 34 -8.913 -1.904 -0.269 1.00 0.00 C ATOM 517 NE1 TRP A 34 -10.671 -3.196 0.074 1.00 0.00 N ATOM 518 CE2 TRP A 34 -9.337 -3.261 -0.265 1.00 0.00 C ATOM 519 CE3 TRP A 34 -7.582 -1.640 -0.626 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -8.467 -4.304 -0.613 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -6.697 -2.676 -0.961 1.00 0.00 C ATOM 522 CH2 TRP A 34 -7.135 -4.011 -0.951 1.00 0.00 C ATOM 0 H TRP A 34 -9.921 2.844 0.138 1.00 0.00 H new ATOM 0 HA TRP A 34 -9.216 0.897 -1.740 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.166 0.750 0.737 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -10.918 0.734 0.765 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -12.082 -1.586 0.539 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.280 -4.009 0.167 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.232 -0.619 -0.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -8.818 -5.325 -0.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.676 -2.447 -1.227 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -6.451 -4.808 -1.202 1.00 0.00 H new ATOM 533 N GLN A 35 -12.469 1.487 -1.684 1.00 0.00 N ATOM 534 CA GLN A 35 -13.707 1.317 -2.446 1.00 0.00 C ATOM 535 C GLN A 35 -13.629 2.012 -3.811 1.00 0.00 C ATOM 536 O GLN A 35 -14.151 1.461 -4.781 1.00 0.00 O ATOM 537 CB GLN A 35 -14.920 1.834 -1.655 1.00 0.00 C ATOM 538 CG GLN A 35 -15.180 1.070 -0.344 1.00 0.00 C ATOM 539 CD GLN A 35 -16.404 0.153 -0.387 1.00 0.00 C ATOM 540 OE1 GLN A 35 -17.538 0.612 -0.388 1.00 0.00 O ATOM 541 NE2 GLN A 35 -16.236 -1.157 -0.379 1.00 0.00 N ATOM 0 H GLN A 35 -12.561 2.124 -0.893 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.834 0.248 -2.617 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.769 2.889 -1.426 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.807 1.768 -2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.300 0.473 -0.104 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.307 1.790 0.464 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.295 -1.550 -0.378 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.047 -1.775 -0.374 1.00 0.00 H new ATOM 550 N ARG A 36 -12.987 3.185 -3.919 1.00 0.00 N ATOM 551 CA ARG A 36 -12.738 3.818 -5.218 1.00 0.00 C ATOM 552 C ARG A 36 -11.918 2.890 -6.099 1.00 0.00 C ATOM 553 O ARG A 36 -12.315 2.669 -7.232 1.00 0.00 O ATOM 554 CB ARG A 36 -11.996 5.163 -5.121 1.00 0.00 C ATOM 555 CG ARG A 36 -12.877 6.416 -5.064 1.00 0.00 C ATOM 556 CD ARG A 36 -13.025 6.966 -3.645 1.00 0.00 C ATOM 557 NE ARG A 36 -13.466 8.372 -3.648 1.00 0.00 N ATOM 558 CZ ARG A 36 -12.737 9.450 -3.979 1.00 0.00 C ATOM 559 NH1 ARG A 36 -11.472 9.352 -4.368 1.00 0.00 N ATOM 560 NH2 ARG A 36 -13.281 10.655 -3.898 1.00 0.00 N ATOM 0 H ARG A 36 -12.632 3.712 -3.121 1.00 0.00 H new ATOM 0 HA ARG A 36 -13.722 4.013 -5.645 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.367 5.145 -4.231 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.330 5.250 -5.980 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.449 7.186 -5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.864 6.181 -5.463 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.744 6.360 -3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.072 6.885 -3.122 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.431 8.545 -3.368 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.025 8.437 -4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.947 10.192 -4.612 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.247 10.759 -3.586 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.734 11.479 -4.148 1.00 0.00 H new ATOM 696 N LEU A 45 -7.390 -8.497 -8.087 1.00 0.00 N ATOM 697 CA LEU A 45 -6.744 -8.826 -6.823 1.00 0.00 C ATOM 698 C LEU A 45 -6.194 -10.233 -6.972 1.00 0.00 C ATOM 699 O LEU A 45 -6.932 -11.104 -7.443 1.00 0.00 O ATOM 700 CB LEU A 45 -7.756 -8.780 -5.673 1.00 0.00 C ATOM 701 CG LEU A 45 -8.075 -7.359 -5.203 1.00 0.00 C ATOM 702 CD1 LEU A 45 -9.303 -7.429 -4.289 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.876 -6.713 -4.491 1.00 0.00 C ATOM 0 HA LEU A 45 -5.954 -8.111 -6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.679 -9.266 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.366 -9.354 -4.832 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.289 -6.726 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.553 -6.428 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.146 -7.841 -4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.084 -8.068 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.142 -5.705 -4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.606 -7.310 -3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.029 -6.666 -5.175 1.00 0.00 H new ATOM 715 N GLN A 46 -4.938 -10.465 -6.605 1.00 0.00 N ATOM 716 CA GLN A 46 -4.246 -11.739 -6.794 1.00 0.00 C ATOM 717 C GLN A 46 -3.372 -12.075 -5.579 1.00 0.00 C ATOM 718 O GLN A 46 -3.067 -11.209 -4.749 1.00 0.00 O ATOM 719 CB GLN A 46 -3.472 -11.730 -8.128 1.00 0.00 C ATOM 720 CG GLN A 46 -2.577 -10.495 -8.264 1.00 0.00 C ATOM 721 CD GLN A 46 -1.764 -10.461 -9.553 1.00 0.00 C ATOM 722 OE1 GLN A 46 -1.853 -9.372 -10.300 1.00 0.00 O flip ATOM 723 NE2 GLN A 46 -1.065 -11.411 -9.909 1.00 0.00 N flip ATOM 0 H GLN A 46 -4.357 -9.756 -6.157 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.978 -12.544 -6.863 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.861 -12.630 -8.199 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.179 -11.759 -8.957 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.198 -9.601 -8.214 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.895 -10.457 -7.415 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.003 -12.246 -9.326 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.548 -11.363 -10.787 1.00 0.00 H new ATOM 732 N TYR A 47 -2.973 -13.347 -5.471 1.00 0.00 N ATOM 733 CA TYR A 47 -2.295 -13.907 -4.307 1.00 0.00 C ATOM 734 C TYR A 47 -0.827 -13.475 -4.268 1.00 0.00 C ATOM 735 O TYR A 47 0.087 -14.274 -4.474 1.00 0.00 O ATOM 736 CB TYR A 47 -2.431 -15.443 -4.288 1.00 0.00 C ATOM 737 CG TYR A 47 -3.833 -16.005 -4.466 1.00 0.00 C ATOM 738 CD1 TYR A 47 -4.922 -15.489 -3.739 1.00 0.00 C ATOM 739 CD2 TYR A 47 -4.036 -17.081 -5.350 1.00 0.00 C ATOM 740 CE1 TYR A 47 -6.213 -16.024 -3.915 1.00 0.00 C ATOM 741 CE2 TYR A 47 -5.324 -17.609 -5.542 1.00 0.00 C ATOM 742 CZ TYR A 47 -6.422 -17.085 -4.827 1.00 0.00 C ATOM 743 OH TYR A 47 -7.655 -17.637 -5.007 1.00 0.00 O ATOM 0 H TYR A 47 -3.119 -14.031 -6.214 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.775 -13.517 -3.409 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.798 -15.851 -5.076 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.035 -15.808 -3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.767 -14.678 -3.042 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.197 -17.503 -5.884 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.044 -15.624 -3.353 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.474 -18.419 -6.240 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.599 -18.352 -5.675 1.00 0.00 H new ATOM 753 N GLY A 48 -0.583 -12.200 -3.981 1.00 0.00 N ATOM 754 CA GLY A 48 0.758 -11.641 -3.904 1.00 0.00 C ATOM 755 C GLY A 48 0.841 -10.155 -4.230 1.00 0.00 C ATOM 756 O GLY A 48 1.933 -9.672 -4.534 1.00 0.00 O ATOM 0 H GLY A 48 -1.320 -11.520 -3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.148 -11.802 -2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.406 -12.187 -4.589 1.00 0.00 H new ATOM 760 N ASP A 49 -0.287 -9.444 -4.182 1.00 0.00 N ATOM 761 CA ASP A 49 -0.394 -8.009 -4.447 1.00 0.00 C ATOM 762 C ASP A 49 0.225 -7.134 -3.341 1.00 0.00 C ATOM 763 O ASP A 49 0.506 -5.961 -3.579 1.00 0.00 O ATOM 764 CB ASP A 49 -1.891 -7.677 -4.620 1.00 0.00 C ATOM 765 CG ASP A 49 -2.393 -7.831 -6.053 1.00 0.00 C ATOM 766 OD1 ASP A 49 -1.576 -7.852 -6.996 1.00 0.00 O ATOM 767 OD2 ASP A 49 -3.626 -7.910 -6.243 1.00 0.00 O ATOM 0 H ASP A 49 -1.185 -9.868 -3.949 1.00 0.00 H new ATOM 0 HA ASP A 49 0.174 -7.783 -5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.476 -8.326 -3.968 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.067 -6.653 -4.291 1.00 0.00 H new ATOM 772 N LYS A 50 0.457 -7.709 -2.150 1.00 0.00 N ATOM 773 CA LYS A 50 0.926 -7.111 -0.888 1.00 0.00 C ATOM 774 C LYS A 50 0.100 -5.893 -0.444 1.00 0.00 C ATOM 775 O LYS A 50 -0.541 -5.197 -1.223 1.00 0.00 O ATOM 776 CB LYS A 50 2.436 -6.786 -0.959 1.00 0.00 C ATOM 777 CG LYS A 50 3.054 -6.472 0.422 1.00 0.00 C ATOM 778 CD LYS A 50 4.578 -6.340 0.443 1.00 0.00 C ATOM 779 CE LYS A 50 5.279 -7.701 0.352 1.00 0.00 C ATOM 780 NZ LYS A 50 6.098 -7.813 -0.868 1.00 0.00 N ATOM 0 H LYS A 50 0.305 -8.711 -2.035 1.00 0.00 H new ATOM 0 HA LYS A 50 0.774 -7.863 -0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.963 -7.631 -1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.587 -5.933 -1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.620 -5.543 0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.765 -7.259 1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.898 -5.712 -0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.885 -5.836 1.359 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.911 -7.844 1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.533 -8.496 0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.556 -8.746 -0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.491 -7.702 -1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.826 -7.070 -0.867 1.00 0.00 H new ATOM 794 N LEU A 51 0.106 -5.632 0.856 1.00 0.00 N ATOM 795 CA LEU A 51 -0.414 -4.417 1.450 1.00 0.00 C ATOM 796 C LEU A 51 0.600 -3.991 2.497 1.00 0.00 C ATOM 797 O LEU A 51 1.259 -4.849 3.088 1.00 0.00 O ATOM 798 CB LEU A 51 -1.793 -4.709 2.077 1.00 0.00 C ATOM 799 CG LEU A 51 -2.929 -3.700 1.834 1.00 0.00 C ATOM 800 CD1 LEU A 51 -3.065 -3.215 0.390 1.00 0.00 C ATOM 801 CD2 LEU A 51 -4.239 -4.408 2.203 1.00 0.00 C ATOM 0 H LEU A 51 0.485 -6.283 1.544 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.555 -3.621 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.126 -5.680 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.656 -4.804 3.154 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.704 -2.819 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.892 -2.508 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.141 -2.725 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.259 -4.066 -0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.077 -3.728 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.365 -5.290 1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.207 -4.709 3.250 1.00 0.00 H new ATOM 813 N VAL A 52 0.694 -2.697 2.772 1.00 0.00 N ATOM 814 CA VAL A 52 1.344 -2.156 3.960 1.00 0.00 C ATOM 815 C VAL A 52 0.389 -1.095 4.495 1.00 0.00 C ATOM 816 O VAL A 52 -0.228 -0.395 3.689 1.00 0.00 O ATOM 817 CB VAL A 52 2.745 -1.592 3.627 1.00 0.00 C ATOM 818 CG1 VAL A 52 3.490 -1.132 4.887 1.00 0.00 C ATOM 819 CG2 VAL A 52 3.642 -2.623 2.927 1.00 0.00 C ATOM 0 H VAL A 52 0.311 -1.976 2.161 1.00 0.00 H new ATOM 0 HA VAL A 52 1.529 -2.921 4.714 1.00 0.00 H new ATOM 0 HB VAL A 52 2.557 -0.749 2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.469 -0.743 4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.916 -0.350 5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.614 -1.976 5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.613 -2.176 2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.774 -3.490 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.176 -2.936 1.993 1.00 0.00 H new ATOM 829 N ASP A 53 0.235 -0.986 5.814 1.00 0.00 N ATOM 830 CA ASP A 53 -0.580 0.024 6.483 1.00 0.00 C ATOM 831 C ASP A 53 0.292 1.096 7.150 1.00 0.00 C ATOM 832 O ASP A 53 1.524 1.047 7.078 1.00 0.00 O ATOM 833 CB ASP A 53 -1.519 -0.678 7.470 1.00 0.00 C ATOM 834 CG ASP A 53 -0.953 -0.992 8.852 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.292 -1.041 9.014 1.00 0.00 O ATOM 836 OD2 ASP A 53 -1.757 -1.207 9.777 1.00 0.00 O ATOM 0 H ASP A 53 0.691 -1.622 6.468 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.186 0.557 5.750 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.404 -0.055 7.599 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.850 -1.613 7.018 1.00 0.00 H new ATOM 841 N SER A 54 -0.347 2.060 7.818 1.00 0.00 N ATOM 842 CA SER A 54 0.297 3.164 8.530 1.00 0.00 C ATOM 843 C SER A 54 1.257 2.679 9.629 1.00 0.00 C ATOM 844 O SER A 54 2.180 3.407 9.991 1.00 0.00 O ATOM 845 CB SER A 54 -0.807 4.056 9.120 1.00 0.00 C ATOM 846 OG SER A 54 -0.418 5.412 9.250 1.00 0.00 O ATOM 0 H SER A 54 -1.365 2.093 7.879 1.00 0.00 H new ATOM 0 HA SER A 54 0.911 3.727 7.827 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.691 3.997 8.485 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.092 3.671 10.099 1.00 0.00 H new ATOM 0 HG SER A 54 -1.159 5.930 9.628 1.00 0.00 H new ATOM 852 N ASN A 55 1.064 1.470 10.163 1.00 0.00 N ATOM 853 CA ASN A 55 1.894 0.888 11.215 1.00 0.00 C ATOM 854 C ASN A 55 3.057 0.090 10.636 1.00 0.00 C ATOM 855 O ASN A 55 3.812 -0.490 11.420 1.00 0.00 O ATOM 856 CB ASN A 55 1.095 -0.087 12.086 1.00 0.00 C ATOM 857 CG ASN A 55 -0.154 0.494 12.709 1.00 0.00 C ATOM 858 OD1 ASN A 55 -1.313 0.160 12.179 1.00 0.00 O flip ATOM 859 ND2 ASN A 55 -0.102 1.220 13.696 1.00 0.00 N flip ATOM 0 H ASN A 55 0.306 0.855 9.866 1.00 0.00 H new ATOM 0 HA ASN A 55 2.256 1.731 11.803 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.814 -0.948 11.479 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.743 -0.456 12.881 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.801 1.471 14.097 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.962 1.572 14.116 1.00 0.00 H new ATOM 866 N PHE A 56 3.209 0.022 9.308 1.00 0.00 N ATOM 867 CA PHE A 56 4.197 -0.812 8.630 1.00 0.00 C ATOM 868 C PHE A 56 3.903 -2.307 8.840 1.00 0.00 C ATOM 869 O PHE A 56 4.802 -3.143 8.729 1.00 0.00 O ATOM 870 CB PHE A 56 5.629 -0.399 9.021 1.00 0.00 C ATOM 871 CG PHE A 56 5.921 1.072 8.822 1.00 0.00 C ATOM 872 CD1 PHE A 56 5.645 2.001 9.842 1.00 0.00 C ATOM 873 CD2 PHE A 56 6.472 1.515 7.606 1.00 0.00 C ATOM 874 CE1 PHE A 56 5.879 3.367 9.639 1.00 0.00 C ATOM 875 CE2 PHE A 56 6.709 2.885 7.411 1.00 0.00 C ATOM 876 CZ PHE A 56 6.420 3.815 8.423 1.00 0.00 C ATOM 0 H PHE A 56 2.631 0.561 8.663 1.00 0.00 H new ATOM 0 HA PHE A 56 4.120 -0.645 7.556 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.797 -0.654 10.067 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.338 -0.982 8.433 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.250 1.659 10.787 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.711 0.806 6.827 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.643 4.076 10.418 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.118 3.228 6.472 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.612 4.866 8.267 1.00 0.00 H new ATOM 886 N HIS A 57 2.650 -2.679 9.125 1.00 0.00 N ATOM 887 CA HIS A 57 2.195 -4.057 9.013 1.00 0.00 C ATOM 888 C HIS A 57 2.164 -4.413 7.530 1.00 0.00 C ATOM 889 O HIS A 57 1.303 -3.911 6.805 1.00 0.00 O ATOM 890 CB HIS A 57 0.795 -4.228 9.608 1.00 0.00 C ATOM 891 CG HIS A 57 0.590 -3.801 11.031 1.00 0.00 C ATOM 892 ND1 HIS A 57 -0.528 -3.149 11.502 1.00 0.00 N ATOM 893 CD2 HIS A 57 1.437 -4.014 12.081 1.00 0.00 C ATOM 894 CE1 HIS A 57 -0.375 -2.996 12.826 1.00 0.00 C ATOM 895 NE2 HIS A 57 0.809 -3.496 13.220 1.00 0.00 N ATOM 0 H HIS A 57 1.929 -2.030 9.439 1.00 0.00 H new ATOM 0 HA HIS A 57 2.871 -4.711 9.564 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.095 -3.671 8.986 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.523 -5.281 9.530 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.325 -2.839 10.946 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.405 -4.491 12.040 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.100 -2.537 13.482 1.00 0.00 H new ATOM 903 N CYS A 58 3.082 -5.257 7.051 1.00 0.00 N ATOM 904 CA CYS A 58 2.891 -5.876 5.749 1.00 0.00 C ATOM 905 C CYS A 58 1.762 -6.902 5.845 1.00 0.00 C ATOM 906 O CYS A 58 1.541 -7.529 6.887 1.00 0.00 O ATOM 907 CB CYS A 58 4.168 -6.555 5.242 1.00 0.00 C ATOM 908 SG CYS A 58 5.415 -5.310 4.851 1.00 0.00 S ATOM 0 H CYS A 58 3.941 -5.519 7.535 1.00 0.00 H new ATOM 0 HA CYS A 58 2.634 -5.093 5.036 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.551 -7.240 5.999 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.946 -7.150 4.356 1.00 0.00 H new ATOM 0 HG CYS A 58 6.303 -5.822 4.051 1.00 0.00 H new ATOM 914 N PHE A 59 1.100 -7.147 4.720 1.00 0.00 N ATOM 915 CA PHE A 59 0.138 -8.217 4.528 1.00 0.00 C ATOM 916 C PHE A 59 0.303 -8.755 3.114 1.00 0.00 C ATOM 917 O PHE A 59 0.719 -8.016 2.226 1.00 0.00 O ATOM 918 CB PHE A 59 -1.286 -7.684 4.700 1.00 0.00 C ATOM 919 CG PHE A 59 -1.589 -7.073 6.053 1.00 0.00 C ATOM 920 CD1 PHE A 59 -2.003 -7.881 7.128 1.00 0.00 C ATOM 921 CD2 PHE A 59 -1.429 -5.689 6.247 1.00 0.00 C ATOM 922 CE1 PHE A 59 -2.166 -7.323 8.410 1.00 0.00 C ATOM 923 CE2 PHE A 59 -1.648 -5.123 7.511 1.00 0.00 C ATOM 924 CZ PHE A 59 -1.960 -5.945 8.607 1.00 0.00 C ATOM 0 H PHE A 59 1.227 -6.579 3.883 1.00 0.00 H new ATOM 0 HA PHE A 59 0.309 -9.003 5.263 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.471 -6.934 3.931 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.986 -8.501 4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.196 -8.932 6.969 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.136 -5.060 5.419 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.449 -7.952 9.241 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.577 -4.053 7.642 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.041 -5.521 9.597 1.00 0.00 H new ATOM 934 N VAL A 60 -0.102 -9.996 2.874 1.00 0.00 N ATOM 935 CA VAL A 60 -0.284 -10.589 1.559 1.00 0.00 C ATOM 936 C VAL A 60 -1.616 -11.348 1.568 1.00 0.00 C ATOM 937 O VAL A 60 -2.046 -11.883 2.590 1.00 0.00 O ATOM 938 CB VAL A 60 0.947 -11.434 1.175 1.00 0.00 C ATOM 939 CG1 VAL A 60 0.689 -12.379 0.003 1.00 0.00 C ATOM 940 CG2 VAL A 60 2.131 -10.541 0.787 1.00 0.00 C ATOM 0 H VAL A 60 -0.323 -10.646 3.629 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.349 -9.835 0.774 1.00 0.00 H new ATOM 0 HB VAL A 60 1.172 -12.024 2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.595 -12.944 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.115 -13.069 0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.402 -11.800 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.985 -11.164 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.855 -9.921 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.396 -9.902 1.629 1.00 0.00 H new ATOM 950 N LEU A 61 -2.278 -11.307 0.414 1.00 0.00 N ATOM 951 CA LEU A 61 -3.514 -11.979 0.047 1.00 0.00 C ATOM 952 C LEU A 61 -3.168 -13.440 -0.191 1.00 0.00 C ATOM 953 O LEU A 61 -2.234 -13.718 -0.952 1.00 0.00 O ATOM 954 CB LEU A 61 -4.063 -11.372 -1.270 1.00 0.00 C ATOM 955 CG LEU A 61 -5.501 -11.789 -1.631 1.00 0.00 C ATOM 956 CD1 LEU A 61 -6.491 -11.715 -0.466 1.00 0.00 C ATOM 957 CD2 LEU A 61 -6.025 -10.885 -2.750 1.00 0.00 C ATOM 0 H LEU A 61 -1.924 -10.746 -0.361 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.265 -11.867 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.024 -10.285 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.402 -11.659 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.437 -12.834 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.479 -12.025 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.160 -12.376 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.540 -10.691 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.043 -11.178 -3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.020 -9.848 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.386 -10.984 -3.627 1.00 0.00 H new ATOM 969 N GLU A 62 -3.906 -14.355 0.419 1.00 0.00 N ATOM 970 CA GLU A 62 -3.650 -15.785 0.301 1.00 0.00 C ATOM 971 C GLU A 62 -4.895 -16.460 -0.281 1.00 0.00 C ATOM 972 O GLU A 62 -5.943 -15.823 -0.421 1.00 0.00 O ATOM 973 CB GLU A 62 -3.172 -16.348 1.655 1.00 0.00 C ATOM 974 CG GLU A 62 -2.037 -15.477 2.242 1.00 0.00 C ATOM 975 CD GLU A 62 -1.028 -16.178 3.153 1.00 0.00 C ATOM 976 OE1 GLU A 62 -1.307 -17.257 3.714 1.00 0.00 O ATOM 977 OE2 GLU A 62 0.093 -15.627 3.302 1.00 0.00 O ATOM 0 H GLU A 62 -4.703 -14.127 1.013 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.836 -15.995 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.007 -16.384 2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.821 -17.372 1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.491 -15.028 1.413 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.491 -14.661 2.804 1.00 0.00 H new ATOM 984 N GLU A 63 -4.793 -17.741 -0.646 1.00 0.00 N ATOM 985 CA GLU A 63 -5.869 -18.489 -1.305 1.00 0.00 C ATOM 986 C GLU A 63 -7.128 -18.577 -0.436 1.00 0.00 C ATOM 987 O GLU A 63 -8.237 -18.749 -0.946 1.00 0.00 O ATOM 988 CB GLU A 63 -5.399 -19.909 -1.627 1.00 0.00 C ATOM 989 CG GLU A 63 -4.416 -20.013 -2.783 1.00 0.00 C ATOM 990 CD GLU A 63 -4.047 -21.474 -3.074 1.00 0.00 C ATOM 991 OE1 GLU A 63 -4.976 -22.300 -3.296 1.00 0.00 O ATOM 992 OE2 GLU A 63 -2.835 -21.764 -3.121 1.00 0.00 O ATOM 0 H GLU A 63 -3.951 -18.295 -0.491 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.117 -17.950 -2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.936 -20.333 -0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.271 -20.522 -1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.851 -19.562 -3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.514 -19.448 -2.548 1.00 0.00 H new ATOM 999 N ASP A 64 -6.962 -18.439 0.879 1.00 0.00 N ATOM 1000 CA ASP A 64 -8.031 -18.422 1.874 1.00 0.00 C ATOM 1001 C ASP A 64 -8.811 -17.091 1.874 1.00 0.00 C ATOM 1002 O ASP A 64 -9.687 -16.866 2.712 1.00 0.00 O ATOM 1003 CB ASP A 64 -7.400 -18.705 3.240 1.00 0.00 C ATOM 1004 CG ASP A 64 -8.404 -19.306 4.217 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -8.881 -20.431 3.951 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -8.641 -18.731 5.301 1.00 0.00 O ATOM 0 H ASP A 64 -6.038 -18.331 1.297 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.766 -19.189 1.631 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.560 -19.388 3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.000 -17.779 3.654 1.00 0.00 H new ATOM 1011 N ALA A 65 -8.476 -16.191 0.936 1.00 0.00 N ATOM 1012 CA ALA A 65 -9.096 -14.902 0.655 1.00 0.00 C ATOM 1013 C ALA A 65 -9.089 -13.945 1.854 1.00 0.00 C ATOM 1014 O ALA A 65 -9.859 -12.978 1.869 1.00 0.00 O ATOM 1015 CB ALA A 65 -10.485 -15.115 0.033 1.00 0.00 C ATOM 0 H ALA A 65 -7.696 -16.370 0.304 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.482 -14.385 -0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.943 -14.148 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.385 -15.676 -0.896 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.113 -15.672 0.728 1.00 0.00 H new ATOM 1021 N HIS A 66 -8.193 -14.147 2.822 1.00 0.00 N ATOM 1022 CA HIS A 66 -7.835 -13.149 3.821 1.00 0.00 C ATOM 1023 C HIS A 66 -6.503 -12.496 3.462 1.00 0.00 C ATOM 1024 O HIS A 66 -5.784 -12.965 2.578 1.00 0.00 O ATOM 1025 CB HIS A 66 -7.857 -13.756 5.230 1.00 0.00 C ATOM 1026 CG HIS A 66 -6.946 -14.939 5.437 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -5.635 -15.057 5.066 1.00 0.00 N flip ATOM 1028 CD2 HIS A 66 -7.314 -16.127 6.018 1.00 0.00 C flip ATOM 1029 CE1 HIS A 66 -5.190 -16.320 5.464 1.00 0.00 C flip ATOM 1030 NE2 HIS A 66 -6.249 -16.938 6.013 1.00 0.00 N flip ATOM 0 H HIS A 66 -7.689 -15.027 2.932 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.581 -12.354 3.824 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.586 -12.980 5.946 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.878 -14.060 5.461 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.291 -16.366 6.410 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.193 -16.720 5.353 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.242 -17.891 6.375 1.00 0.00 H new ATOM 1038 N TRP A 67 -6.156 -11.434 4.183 1.00 0.00 N ATOM 1039 CA TRP A 67 -4.858 -10.791 4.124 1.00 0.00 C ATOM 1040 C TRP A 67 -4.084 -11.223 5.362 1.00 0.00 C ATOM 1041 O TRP A 67 -4.277 -10.658 6.441 1.00 0.00 O ATOM 1042 CB TRP A 67 -5.039 -9.277 4.033 1.00 0.00 C ATOM 1043 CG TRP A 67 -5.355 -8.784 2.658 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -6.579 -8.656 2.109 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -4.423 -8.382 1.622 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -6.457 -8.139 0.833 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -5.145 -7.944 0.480 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -3.028 -8.356 1.538 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -4.512 -7.452 -0.673 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -2.381 -7.884 0.392 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -3.111 -7.399 -0.708 1.00 0.00 C ATOM 0 H TRP A 67 -6.793 -10.988 4.843 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.294 -11.085 3.239 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.840 -8.976 4.709 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.128 -8.791 4.382 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.510 -8.917 2.591 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.248 -7.927 0.225 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.440 -8.707 2.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -5.095 -7.120 -1.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.302 -7.892 0.351 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.600 -6.991 -1.568 1.00 0.00 H new ATOM 1062 N HIS A 68 -3.261 -12.259 5.212 1.00 0.00 N ATOM 1063 CA HIS A 68 -2.438 -12.775 6.292 1.00 0.00 C ATOM 1064 C HIS A 68 -1.348 -11.737 6.617 1.00 0.00 C ATOM 1065 O HIS A 68 -0.845 -11.090 5.689 1.00 0.00 O ATOM 1066 CB HIS A 68 -1.826 -14.108 5.837 1.00 0.00 C ATOM 1067 CG HIS A 68 -1.039 -14.828 6.902 1.00 0.00 C ATOM 1068 ND1 HIS A 68 -1.580 -15.689 7.825 1.00 0.00 N ATOM 1069 CD2 HIS A 68 0.308 -14.745 7.150 1.00 0.00 C ATOM 1070 CE1 HIS A 68 -0.594 -16.104 8.626 1.00 0.00 C ATOM 1071 NE2 HIS A 68 0.583 -15.580 8.242 1.00 0.00 N ATOM 0 H HIS A 68 -3.149 -12.763 4.332 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.025 -12.950 7.193 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.626 -14.761 5.490 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.174 -13.922 4.984 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.024 -14.147 6.605 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.725 -16.769 9.467 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.496 -15.755 8.662 1.00 0.00 H new ATOM 1079 N PRO A 69 -0.950 -11.573 7.892 1.00 0.00 N ATOM 1080 CA PRO A 69 0.093 -10.638 8.303 1.00 0.00 C ATOM 1081 C PRO A 69 1.475 -11.098 7.827 1.00 0.00 C ATOM 1082 O PRO A 69 2.064 -12.024 8.377 1.00 0.00 O ATOM 1083 CB PRO A 69 -0.018 -10.550 9.827 1.00 0.00 C ATOM 1084 CG PRO A 69 -0.605 -11.901 10.230 1.00 0.00 C ATOM 1085 CD PRO A 69 -1.545 -12.204 9.067 1.00 0.00 C ATOM 0 HA PRO A 69 -0.035 -9.653 7.853 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.955 -10.383 10.290 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -0.663 -9.726 10.134 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.166 -12.664 10.340 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.137 -11.847 11.180 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.651 -13.279 8.921 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.543 -11.809 9.259 1.00 0.00 H new ATOM 1093 N ALA A 70 2.017 -10.424 6.813 1.00 0.00 N ATOM 1094 CA ALA A 70 3.298 -10.725 6.181 1.00 0.00 C ATOM 1095 C ALA A 70 4.483 -10.151 6.982 1.00 0.00 C ATOM 1096 O ALA A 70 5.470 -9.696 6.397 1.00 0.00 O ATOM 1097 CB ALA A 70 3.258 -10.220 4.735 1.00 0.00 C ATOM 0 H ALA A 70 1.554 -9.618 6.392 1.00 0.00 H new ATOM 0 HA ALA A 70 3.458 -11.803 6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.208 -10.437 4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.452 -10.719 4.197 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.085 -9.144 4.730 1.00 0.00 H new ATOM 1103 N ALA A 71 4.388 -10.186 8.317 1.00 0.00 N ATOM 1104 CA ALA A 71 5.296 -9.606 9.308 1.00 0.00 C ATOM 1105 C ALA A 71 5.249 -8.066 9.330 1.00 0.00 C ATOM 1106 O ALA A 71 4.656 -7.459 8.431 1.00 0.00 O ATOM 1107 CB ALA A 71 6.703 -10.203 9.135 1.00 0.00 C ATOM 0 H ALA A 71 3.606 -10.662 8.767 1.00 0.00 H new ATOM 0 HA ALA A 71 4.956 -9.883 10.306 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.376 -9.769 9.874 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.660 -11.283 9.274 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.072 -9.981 8.134 1.00 0.00 H new ATOM 1113 N PRO A 72 5.783 -7.397 10.368 1.00 0.00 N ATOM 1114 CA PRO A 72 6.014 -5.960 10.305 1.00 0.00 C ATOM 1115 C PRO A 72 7.221 -5.662 9.419 1.00 0.00 C ATOM 1116 O PRO A 72 8.020 -6.552 9.107 1.00 0.00 O ATOM 1117 CB PRO A 72 6.287 -5.520 11.740 1.00 0.00 C ATOM 1118 CG PRO A 72 6.919 -6.761 12.365 1.00 0.00 C ATOM 1119 CD PRO A 72 6.194 -7.913 11.669 1.00 0.00 C ATOM 0 HA PRO A 72 5.161 -5.431 9.880 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.958 -4.662 11.778 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.371 -5.231 12.255 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.994 -6.797 12.189 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.772 -6.787 13.445 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.849 -8.777 11.558 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.332 -8.240 12.250 1.00 0.00 H new ATOM 1127 N LEU A 73 7.393 -4.389 9.082 1.00 0.00 N ATOM 1128 CA LEU A 73 8.439 -3.903 8.198 1.00 0.00 C ATOM 1129 C LEU A 73 9.292 -2.873 8.958 1.00 0.00 C ATOM 1130 O LEU A 73 8.729 -2.124 9.762 1.00 0.00 O ATOM 1131 CB LEU A 73 7.703 -3.305 6.986 1.00 0.00 C ATOM 1132 CG LEU A 73 8.534 -2.965 5.741 1.00 0.00 C ATOM 1133 CD1 LEU A 73 9.081 -4.214 5.033 1.00 0.00 C ATOM 1134 CD2 LEU A 73 7.656 -2.189 4.747 1.00 0.00 C ATOM 0 H LEU A 73 6.787 -3.645 9.429 1.00 0.00 H new ATOM 0 HA LEU A 73 9.128 -4.678 7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.924 -4.007 6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.203 -2.394 7.314 1.00 0.00 H new ATOM 0 HG LEU A 73 9.384 -2.370 6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.660 -3.913 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.720 -4.770 5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.251 -4.846 4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.240 -1.944 3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.801 -2.802 4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.303 -1.270 5.214 1.00 0.00 H new ATOM 1146 N PRO A 74 10.619 -2.798 8.739 1.00 0.00 N ATOM 1147 CA PRO A 74 11.454 -1.738 9.302 1.00 0.00 C ATOM 1148 C PRO A 74 11.217 -0.415 8.571 1.00 0.00 C ATOM 1149 O PRO A 74 10.670 -0.430 7.464 1.00 0.00 O ATOM 1150 CB PRO A 74 12.894 -2.215 9.116 1.00 0.00 C ATOM 1151 CG PRO A 74 12.832 -3.122 7.897 1.00 0.00 C ATOM 1152 CD PRO A 74 11.434 -3.726 7.970 1.00 0.00 C ATOM 0 HA PRO A 74 11.224 -1.554 10.351 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.573 -1.378 8.955 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.252 -2.752 9.994 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.979 -2.563 6.973 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.603 -3.891 7.930 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.021 -3.868 6.971 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.460 -4.706 8.447 1.00 0.00 H new ATOM 1160 N PRO A 75 11.701 0.721 9.108 1.00 0.00 N ATOM 1161 CA PRO A 75 11.416 2.009 8.503 1.00 0.00 C ATOM 1162 C PRO A 75 12.073 2.140 7.129 1.00 0.00 C ATOM 1163 O PRO A 75 11.470 2.707 6.218 1.00 0.00 O ATOM 1164 CB PRO A 75 11.899 3.063 9.503 1.00 0.00 C ATOM 1165 CG PRO A 75 12.934 2.325 10.350 1.00 0.00 C ATOM 1166 CD PRO A 75 12.399 0.894 10.374 1.00 0.00 C ATOM 0 HA PRO A 75 10.351 2.137 8.309 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.338 3.922 8.996 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.078 3.439 10.114 1.00 0.00 H new ATOM 0 HG2 PRO A 75 13.929 2.377 9.908 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.009 2.745 11.353 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.210 0.173 10.477 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.726 0.740 11.218 1.00 0.00 H new ATOM 1174 N GLU A 76 13.264 1.562 6.956 1.00 0.00 N ATOM 1175 CA GLU A 76 13.973 1.482 5.690 1.00 0.00 C ATOM 1176 C GLU A 76 13.234 0.573 4.714 1.00 0.00 C ATOM 1177 O GLU A 76 13.363 0.752 3.503 1.00 0.00 O ATOM 1178 CB GLU A 76 15.398 0.940 5.906 1.00 0.00 C ATOM 1179 CG GLU A 76 15.471 -0.289 6.830 1.00 0.00 C ATOM 1180 CD GLU A 76 16.598 -1.247 6.456 1.00 0.00 C ATOM 1181 OE1 GLU A 76 17.759 -0.801 6.330 1.00 0.00 O ATOM 1182 OE2 GLU A 76 16.317 -2.462 6.350 1.00 0.00 O ATOM 0 H GLU A 76 13.773 1.124 7.724 1.00 0.00 H new ATOM 0 HA GLU A 76 14.026 2.487 5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.826 0.679 4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 76 16.017 1.733 6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.610 0.044 7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.521 -0.822 6.793 1.00 0.00 H new ATOM 1189 N GLY A 77 12.470 -0.396 5.233 1.00 0.00 N ATOM 1190 CA GLY A 77 11.817 -1.404 4.431 1.00 0.00 C ATOM 1191 C GLY A 77 10.687 -0.813 3.595 1.00 0.00 C ATOM 1192 O GLY A 77 10.457 -1.276 2.479 1.00 0.00 O ATOM 0 H GLY A 77 12.294 -0.492 6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.547 -1.876 3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.420 -2.185 5.080 1.00 0.00 H new ATOM 1196 N LEU A 78 10.046 0.260 4.083 1.00 0.00 N ATOM 1197 CA LEU A 78 9.079 1.043 3.314 1.00 0.00 C ATOM 1198 C LEU A 78 9.679 1.447 1.971 1.00 0.00 C ATOM 1199 O LEU A 78 9.021 1.346 0.934 1.00 0.00 O ATOM 1200 CB LEU A 78 8.653 2.295 4.105 1.00 0.00 C ATOM 1201 CG LEU A 78 7.949 3.358 3.231 1.00 0.00 C ATOM 1202 CD1 LEU A 78 6.633 2.845 2.634 1.00 0.00 C ATOM 1203 CD2 LEU A 78 7.653 4.636 4.016 1.00 0.00 C ATOM 0 H LEU A 78 10.189 0.608 5.031 1.00 0.00 H new ATOM 0 HA LEU A 78 8.197 0.428 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.984 1.997 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.533 2.740 4.569 1.00 0.00 H new ATOM 0 HG LEU A 78 8.648 3.576 2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.178 3.629 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.832 1.974 2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.952 2.567 3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.158 5.357 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.003 4.403 4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.587 5.061 4.384 1.00 0.00 H new ATOM 1215 N ASN A 79 10.910 1.961 2.004 1.00 0.00 N ATOM 1216 CA ASN A 79 11.543 2.518 0.823 1.00 0.00 C ATOM 1217 C ASN A 79 11.644 1.490 -0.287 1.00 0.00 C ATOM 1218 O ASN A 79 11.529 1.892 -1.433 1.00 0.00 O ATOM 1219 CB ASN A 79 12.929 3.105 1.120 1.00 0.00 C ATOM 1220 CG ASN A 79 12.864 4.616 1.088 1.00 0.00 C ATOM 1221 OD1 ASN A 79 12.895 5.214 0.019 1.00 0.00 O ATOM 1222 ND2 ASN A 79 12.762 5.241 2.246 1.00 0.00 N ATOM 0 H ASN A 79 11.486 2.000 2.845 1.00 0.00 H new ATOM 0 HA ASN A 79 10.901 3.335 0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.275 2.768 2.097 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.650 2.747 0.385 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.706 6.259 2.273 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.739 4.706 3.114 1.00 0.00 H new ATOM 1229 N ASP A 80 11.776 0.190 0.006 1.00 0.00 N ATOM 1230 CA ASP A 80 11.803 -0.836 -1.043 1.00 0.00 C ATOM 1231 C ASP A 80 10.544 -0.789 -1.893 1.00 0.00 C ATOM 1232 O ASP A 80 10.614 -1.055 -3.090 1.00 0.00 O ATOM 1233 CB ASP A 80 11.859 -2.267 -0.482 1.00 0.00 C ATOM 1234 CG ASP A 80 13.237 -2.771 -0.105 1.00 0.00 C ATOM 1235 OD1 ASP A 80 14.268 -2.203 -0.527 1.00 0.00 O ATOM 1236 OD2 ASP A 80 13.288 -3.834 0.558 1.00 0.00 O ATOM 0 H ASP A 80 11.865 -0.174 0.955 1.00 0.00 H new ATOM 0 HA ASP A 80 12.701 -0.614 -1.620 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.220 -2.317 0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.434 -2.945 -1.222 1.00 0.00 H new ATOM 1241 N LEU A 81 9.383 -0.513 -1.297 1.00 0.00 N ATOM 1242 CA LEU A 81 8.145 -0.477 -2.050 1.00 0.00 C ATOM 1243 C LEU A 81 8.180 0.769 -2.921 1.00 0.00 C ATOM 1244 O LEU A 81 8.175 0.658 -4.145 1.00 0.00 O ATOM 1245 CB LEU A 81 6.907 -0.533 -1.131 1.00 0.00 C ATOM 1246 CG LEU A 81 6.486 -1.928 -0.637 1.00 0.00 C ATOM 1247 CD1 LEU A 81 6.259 -2.930 -1.780 1.00 0.00 C ATOM 1248 CD2 LEU A 81 7.495 -2.472 0.366 1.00 0.00 C ATOM 0 H LEU A 81 9.282 -0.314 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 81 8.058 -1.361 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.099 0.094 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.065 -0.091 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 81 5.524 -1.803 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.964 -3.894 -1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.471 -2.561 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.181 -3.047 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.178 -3.459 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.474 -2.547 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.556 -1.800 1.222 1.00 0.00 H new ATOM 1260 N ILE A 82 8.242 1.952 -2.308 1.00 0.00 N ATOM 1261 CA ILE A 82 8.158 3.228 -3.025 1.00 0.00 C ATOM 1262 C ILE A 82 9.281 3.370 -4.064 1.00 0.00 C ATOM 1263 O ILE A 82 9.061 3.978 -5.113 1.00 0.00 O ATOM 1264 CB ILE A 82 8.095 4.393 -2.015 1.00 0.00 C ATOM 1265 CG1 ILE A 82 6.843 4.300 -1.107 1.00 0.00 C ATOM 1266 CG2 ILE A 82 8.118 5.759 -2.711 1.00 0.00 C ATOM 1267 CD1 ILE A 82 5.523 4.705 -1.791 1.00 0.00 C ATOM 0 H ILE A 82 8.352 2.054 -1.299 1.00 0.00 H new ATOM 0 HA ILE A 82 7.234 3.256 -3.603 1.00 0.00 H new ATOM 0 HB ILE A 82 8.987 4.303 -1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.749 3.277 -0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.995 4.936 -0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.072 6.550 -1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.038 5.858 -3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.261 5.842 -3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.701 4.609 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.591 5.739 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.342 4.054 -2.646 1.00 0.00 H new ATOM 1279 N ARG A 83 10.439 2.734 -3.851 1.00 0.00 N ATOM 1280 CA ARG A 83 11.522 2.621 -4.824 1.00 0.00 C ATOM 1281 C ARG A 83 11.008 2.168 -6.187 1.00 0.00 C ATOM 1282 O ARG A 83 11.477 2.709 -7.186 1.00 0.00 O ATOM 1283 CB ARG A 83 12.616 1.659 -4.305 1.00 0.00 C ATOM 1284 CG ARG A 83 13.816 2.346 -3.618 1.00 0.00 C ATOM 1285 CD ARG A 83 15.145 2.034 -4.327 1.00 0.00 C ATOM 1286 NE ARG A 83 15.484 0.598 -4.247 1.00 0.00 N ATOM 1287 CZ ARG A 83 16.017 -0.168 -5.209 1.00 0.00 C ATOM 1288 NH1 ARG A 83 16.518 0.375 -6.317 1.00 0.00 N ATOM 1289 NH2 ARG A 83 16.056 -1.487 -5.049 1.00 0.00 N ATOM 0 H ARG A 83 10.651 2.271 -2.967 1.00 0.00 H new ATOM 0 HA ARG A 83 11.959 3.611 -4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.162 0.963 -3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 83 12.986 1.068 -5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.657 3.424 -3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.874 2.020 -2.580 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.079 2.334 -5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.944 2.622 -3.876 1.00 0.00 H new ATOM 0 HE ARG A 83 15.290 0.137 -3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 83 16.499 1.387 -6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 83 16.920 -0.221 -7.040 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.682 -1.909 -4.199 1.00 0.00 H new ATOM 0 HH22 ARG A 83 16.460 -2.077 -5.776 1.00 0.00 H new ATOM 1303 N ALA A 84 10.069 1.220 -6.245 1.00 0.00 N ATOM 1304 CA ALA A 84 9.466 0.731 -7.479 1.00 0.00 C ATOM 1305 C ALA A 84 8.717 1.861 -8.193 1.00 0.00 C ATOM 1306 O ALA A 84 9.111 2.242 -9.295 1.00 0.00 O ATOM 1307 CB ALA A 84 8.592 -0.494 -7.165 1.00 0.00 C ATOM 0 H ALA A 84 9.700 0.762 -5.411 1.00 0.00 H new ATOM 0 HA ALA A 84 10.235 0.401 -8.177 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.139 -0.863 -8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.209 -1.277 -6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.808 -0.211 -6.463 1.00 0.00 H new ATOM 1313 N HIS A 85 7.692 2.436 -7.551 1.00 0.00 N ATOM 1314 CA HIS A 85 6.862 3.526 -8.075 1.00 0.00 C ATOM 1315 C HIS A 85 7.751 4.681 -8.549 1.00 0.00 C ATOM 1316 O HIS A 85 7.563 5.212 -9.637 1.00 0.00 O ATOM 1317 CB HIS A 85 5.854 3.959 -6.985 1.00 0.00 C ATOM 1318 CG HIS A 85 4.815 4.997 -7.383 1.00 0.00 C ATOM 1319 ND1 HIS A 85 3.431 4.859 -7.445 1.00 0.00 N ATOM 1320 CD2 HIS A 85 5.085 6.322 -7.611 1.00 0.00 C ATOM 1321 CE1 HIS A 85 2.909 6.058 -7.750 1.00 0.00 C ATOM 1322 NE2 HIS A 85 3.878 6.973 -7.858 1.00 0.00 N ATOM 0 H HIS A 85 7.408 2.143 -6.616 1.00 0.00 H new ATOM 0 HA HIS A 85 6.293 3.191 -8.942 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.329 3.070 -6.636 1.00 0.00 H new ATOM 0 HB3 HIS A 85 6.417 4.350 -6.138 1.00 0.00 H new ATOM 0 HD2 HIS A 85 6.063 6.781 -7.601 1.00 0.00 H new ATOM 0 HE1 HIS A 85 1.856 6.255 -7.888 1.00 0.00 H new ATOM 0 HE2 HIS A 85 3.757 7.961 -8.079 1.00 0.00 H new ATOM 1330 N CYS A 86 8.768 5.039 -7.763 1.00 0.00 N ATOM 1331 CA CYS A 86 9.676 6.109 -8.124 1.00 0.00 C ATOM 1332 C CYS A 86 10.544 5.737 -9.315 1.00 0.00 C ATOM 1333 O CYS A 86 10.760 6.578 -10.181 1.00 0.00 O ATOM 1334 CB CYS A 86 10.572 6.445 -6.930 1.00 0.00 C ATOM 1335 SG CYS A 86 9.562 7.112 -5.586 1.00 0.00 S ATOM 0 H CYS A 86 8.977 4.595 -6.869 1.00 0.00 H new ATOM 0 HA CYS A 86 9.075 6.975 -8.403 1.00 0.00 H new ATOM 0 HB2 CYS A 86 11.099 5.552 -6.594 1.00 0.00 H new ATOM 0 HB3 CYS A 86 11.330 7.171 -7.224 1.00 0.00 H new ATOM 0 HG CYS A 86 9.963 8.315 -5.298 1.00 0.00 H new ATOM 1341 N ALA A 87 11.089 4.521 -9.358 1.00 0.00 N ATOM 1342 CA ALA A 87 12.019 4.128 -10.403 1.00 0.00 C ATOM 1343 C ALA A 87 11.339 4.105 -11.768 1.00 0.00 C ATOM 1344 O ALA A 87 11.957 4.537 -12.745 1.00 0.00 O ATOM 1345 CB ALA A 87 12.614 2.755 -10.089 1.00 0.00 C ATOM 0 H ALA A 87 10.897 3.790 -8.673 1.00 0.00 H new ATOM 0 HA ALA A 87 12.820 4.867 -10.437 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.309 2.471 -10.879 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.143 2.797 -9.137 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.814 2.017 -10.027 1.00 0.00 H new ATOM 1351 N THR A 88 10.089 3.640 -11.829 1.00 0.00 N ATOM 1352 CA THR A 88 9.334 3.567 -13.073 1.00 0.00 C ATOM 1353 C THR A 88 8.961 4.969 -13.600 1.00 0.00 C ATOM 1354 O THR A 88 8.594 5.072 -14.774 1.00 0.00 O ATOM 1355 CB THR A 88 8.167 2.561 -12.909 1.00 0.00 C ATOM 1356 OG1 THR A 88 7.545 2.245 -14.137 1.00 0.00 O ATOM 1357 CG2 THR A 88 7.062 2.941 -11.928 1.00 0.00 C ATOM 0 H THR A 88 9.575 3.304 -11.014 1.00 0.00 H new ATOM 0 HA THR A 88 9.953 3.166 -13.876 1.00 0.00 H new ATOM 0 HB THR A 88 8.690 1.703 -12.486 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.701 2.969 -14.779 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.308 2.154 -11.907 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.486 3.064 -10.932 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.601 3.877 -12.244 1.00 0.00 H new ATOM 1365 N LEU A 89 9.127 6.042 -12.803 1.00 0.00 N ATOM 1366 CA LEU A 89 8.742 7.425 -13.132 1.00 0.00 C ATOM 1367 C LEU A 89 9.901 8.428 -12.990 1.00 0.00 C ATOM 1368 O LEU A 89 9.745 9.609 -13.295 1.00 0.00 O ATOM 1369 CB LEU A 89 7.557 7.866 -12.245 1.00 0.00 C ATOM 1370 CG LEU A 89 6.319 6.952 -12.313 1.00 0.00 C ATOM 1371 CD1 LEU A 89 5.244 7.379 -11.319 1.00 0.00 C ATOM 1372 CD2 LEU A 89 5.705 6.888 -13.715 1.00 0.00 C ATOM 0 H LEU A 89 9.549 5.965 -11.878 1.00 0.00 H new ATOM 0 HA LEU A 89 8.450 7.427 -14.182 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.896 7.917 -11.210 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.262 8.875 -12.534 1.00 0.00 H new ATOM 0 HG LEU A 89 6.680 5.958 -12.051 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.388 6.709 -11.399 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.646 7.335 -10.307 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.929 8.399 -11.540 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.836 6.230 -13.702 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.398 7.887 -14.024 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.443 6.502 -14.418 1.00 0.00 H new ATOM 1384 N GLY A 90 11.074 8.002 -12.515 1.00 0.00 N ATOM 1385 CA GLY A 90 12.235 8.864 -12.312 1.00 0.00 C ATOM 1386 C GLY A 90 12.125 9.807 -11.104 1.00 0.00 C ATOM 1387 O GLY A 90 12.844 10.807 -11.061 1.00 0.00 O ATOM 0 H GLY A 90 11.244 7.030 -12.257 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.119 8.238 -12.189 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.390 9.461 -13.210 1.00 0.00 H new ATOM 1391 N HIS A 91 11.266 9.528 -10.113 1.00 0.00 N ATOM 1392 CA HIS A 91 11.018 10.483 -9.023 1.00 0.00 C ATOM 1393 C HIS A 91 12.274 10.743 -8.171 1.00 0.00 C ATOM 1394 O HIS A 91 13.228 9.947 -8.149 1.00 0.00 O ATOM 1395 CB HIS A 91 9.895 10.003 -8.093 1.00 0.00 C ATOM 1396 CG HIS A 91 8.520 9.846 -8.679 1.00 0.00 C ATOM 1397 ND1 HIS A 91 7.959 10.517 -9.746 1.00 0.00 N ATOM 1398 CD2 HIS A 91 7.542 9.074 -8.120 1.00 0.00 C ATOM 1399 CE1 HIS A 91 6.670 10.146 -9.824 1.00 0.00 C ATOM 1400 NE2 HIS A 91 6.387 9.248 -8.869 1.00 0.00 N ATOM 0 H HIS A 91 10.737 8.659 -10.043 1.00 0.00 H new ATOM 0 HA HIS A 91 10.722 11.411 -9.512 1.00 0.00 H new ATOM 0 HB2 HIS A 91 10.193 9.041 -7.676 1.00 0.00 H new ATOM 0 HB3 HIS A 91 9.827 10.704 -7.261 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.648 8.442 -7.251 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.963 10.518 -10.551 1.00 0.00 H new ATOM 0 HE2 HIS A 91 5.492 8.781 -8.721 1.00 0.00 H new ATOM 1494 N HIS A 98 13.671 9.550 2.216 1.00 0.00 N ATOM 1495 CA HIS A 98 12.637 9.730 1.214 1.00 0.00 C ATOM 1496 C HIS A 98 11.358 10.187 1.937 1.00 0.00 C ATOM 1497 O HIS A 98 11.125 11.391 2.054 1.00 0.00 O ATOM 1498 CB HIS A 98 12.584 8.453 0.335 1.00 0.00 C ATOM 1499 CG HIS A 98 12.016 8.617 -1.053 1.00 0.00 C ATOM 1500 ND1 HIS A 98 10.838 9.230 -1.386 1.00 0.00 N flip ATOM 1501 CD2 HIS A 98 12.544 8.084 -2.215 1.00 0.00 C flip ATOM 1502 CE1 HIS A 98 10.660 9.091 -2.763 1.00 0.00 C flip ATOM 1503 NE2 HIS A 98 11.710 8.396 -3.219 1.00 0.00 N flip ATOM 0 HA HIS A 98 12.823 10.523 0.490 1.00 0.00 H new ATOM 0 HB2 HIS A 98 13.596 8.058 0.246 1.00 0.00 H new ATOM 0 HB3 HIS A 98 11.993 7.702 0.859 1.00 0.00 H new ATOM 0 HD2 HIS A 98 13.461 7.519 -2.299 1.00 0.00 H new ATOM 0 HE1 HIS A 98 9.835 9.470 -3.348 1.00 0.00 H new ATOM 0 HE2 HIS A 98 11.856 8.139 -4.195 1.00 0.00 H new ATOM 1511 N LEU A 99 10.539 9.268 2.461 1.00 0.00 N ATOM 1512 CA LEU A 99 9.389 9.517 3.294 1.00 0.00 C ATOM 1513 C LEU A 99 9.671 9.025 4.703 1.00 0.00 C ATOM 1514 O LEU A 99 9.791 7.823 4.948 1.00 0.00 O ATOM 1515 CB LEU A 99 8.217 8.731 2.717 1.00 0.00 C ATOM 1516 CG LEU A 99 8.172 8.801 1.194 1.00 0.00 C ATOM 1517 CD1 LEU A 99 8.093 10.219 0.608 1.00 0.00 C ATOM 1518 CD2 LEU A 99 8.892 7.664 0.479 1.00 0.00 C ATOM 0 H LEU A 99 10.683 8.272 2.296 1.00 0.00 H new ATOM 0 HA LEU A 99 9.163 10.583 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.291 7.689 3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.284 9.120 3.125 1.00 0.00 H new ATOM 0 HG LEU A 99 7.174 8.511 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.066 10.162 -0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.190 10.712 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.967 10.791 0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.806 7.800 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.945 7.665 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.441 6.713 0.762 1.00 0.00 H new ATOM 1530 N HIS A 100 9.713 9.954 5.646 1.00 0.00 N ATOM 1531 CA HIS A 100 9.809 9.649 7.063 1.00 0.00 C ATOM 1532 C HIS A 100 8.646 8.780 7.568 1.00 0.00 C ATOM 1533 O HIS A 100 8.819 8.030 8.531 1.00 0.00 O ATOM 1534 CB HIS A 100 9.901 10.998 7.778 1.00 0.00 C ATOM 1535 CG HIS A 100 9.776 11.050 9.281 1.00 0.00 C ATOM 1536 ND1 HIS A 100 9.347 12.167 9.955 1.00 0.00 N ATOM 1537 CD2 HIS A 100 10.094 10.098 10.216 1.00 0.00 C ATOM 1538 CE1 HIS A 100 9.374 11.899 11.266 1.00 0.00 C ATOM 1539 NE2 HIS A 100 9.859 10.665 11.477 1.00 0.00 N ATOM 0 H HIS A 100 9.681 10.953 5.445 1.00 0.00 H new ATOM 0 HA HIS A 100 10.690 9.041 7.270 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.860 11.443 7.514 1.00 0.00 H new ATOM 0 HB3 HIS A 100 9.126 11.642 7.363 1.00 0.00 H new ATOM 0 HD2 HIS A 100 10.457 9.100 10.018 1.00 0.00 H new ATOM 0 HE1 HIS A 100 9.052 12.577 12.042 1.00 0.00 H new ATOM 0 HE2 HIS A 100 10.025 10.224 12.382 1.00 0.00 H new ATOM 1547 N SER A 101 7.463 8.871 6.961 1.00 0.00 N ATOM 1548 CA SER A 101 6.251 8.223 7.459 1.00 0.00 C ATOM 1549 C SER A 101 5.333 7.842 6.288 1.00 0.00 C ATOM 1550 O SER A 101 5.517 8.331 5.167 1.00 0.00 O ATOM 1551 CB SER A 101 5.567 9.184 8.447 1.00 0.00 C ATOM 1552 OG SER A 101 6.472 9.609 9.457 1.00 0.00 O ATOM 0 H SER A 101 7.318 9.402 6.102 1.00 0.00 H new ATOM 0 HA SER A 101 6.492 7.296 7.980 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.184 10.051 7.909 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.711 8.690 8.906 1.00 0.00 H new ATOM 0 HG SER A 101 6.014 10.220 10.071 1.00 0.00 H new ATOM 1558 N VAL A 102 4.334 6.980 6.524 1.00 0.00 N ATOM 1559 CA VAL A 102 3.393 6.561 5.485 1.00 0.00 C ATOM 1560 C VAL A 102 2.589 7.776 4.986 1.00 0.00 C ATOM 1561 O VAL A 102 2.305 7.900 3.795 1.00 0.00 O ATOM 1562 CB VAL A 102 2.504 5.410 6.019 1.00 0.00 C ATOM 1563 CG1 VAL A 102 1.560 4.825 4.955 1.00 0.00 C ATOM 1564 CG2 VAL A 102 3.384 4.264 6.550 1.00 0.00 C ATOM 0 H VAL A 102 4.159 6.558 7.436 1.00 0.00 H new ATOM 0 HA VAL A 102 3.928 6.168 4.621 1.00 0.00 H new ATOM 0 HB VAL A 102 1.895 5.847 6.811 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.967 4.024 5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.896 5.608 4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.147 4.428 4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.749 3.460 6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.013 3.885 5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.014 4.634 7.359 1.00 0.00 H new ATOM 1574 N MET A 103 2.267 8.705 5.887 1.00 0.00 N ATOM 1575 CA MET A 103 1.596 9.972 5.624 1.00 0.00 C ATOM 1576 C MET A 103 2.404 10.836 4.653 1.00 0.00 C ATOM 1577 O MET A 103 1.826 11.492 3.788 1.00 0.00 O ATOM 1578 CB MET A 103 1.431 10.693 6.970 1.00 0.00 C ATOM 1579 CG MET A 103 0.679 12.029 6.930 1.00 0.00 C ATOM 1580 SD MET A 103 -1.063 11.986 7.439 1.00 0.00 S ATOM 1581 CE MET A 103 -1.712 10.728 6.309 1.00 0.00 C ATOM 0 H MET A 103 2.482 8.583 6.877 1.00 0.00 H new ATOM 0 HA MET A 103 0.627 9.791 5.159 1.00 0.00 H new ATOM 0 HB2 MET A 103 0.909 10.025 7.655 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.422 10.869 7.389 1.00 0.00 H new ATOM 0 HG2 MET A 103 1.205 12.737 7.570 1.00 0.00 H new ATOM 0 HG3 MET A 103 0.729 12.420 5.914 1.00 0.00 H new ATOM 0 HE1 MET A 103 -2.794 10.661 6.422 1.00 0.00 H new ATOM 0 HE2 MET A 103 -1.471 11.002 5.282 1.00 0.00 H new ATOM 0 HE3 MET A 103 -1.262 9.763 6.542 1.00 0.00 H new ATOM 1591 N ASP A 104 3.732 10.865 4.808 1.00 0.00 N ATOM 1592 CA ASP A 104 4.626 11.628 3.930 1.00 0.00 C ATOM 1593 C ASP A 104 4.456 11.085 2.507 1.00 0.00 C ATOM 1594 O ASP A 104 4.162 11.828 1.573 1.00 0.00 O ATOM 1595 CB ASP A 104 6.102 11.551 4.390 1.00 0.00 C ATOM 1596 CG ASP A 104 6.692 12.917 4.747 1.00 0.00 C ATOM 1597 OD1 ASP A 104 7.271 13.593 3.860 1.00 0.00 O ATOM 1598 OD2 ASP A 104 6.736 13.228 5.961 1.00 0.00 O ATOM 0 H ASP A 104 4.218 10.359 5.548 1.00 0.00 H new ATOM 0 HA ASP A 104 4.359 12.684 3.968 1.00 0.00 H new ATOM 0 HB2 ASP A 104 6.172 10.894 5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 104 6.700 11.099 3.598 1.00 0.00 H new ATOM 1603 N ALA A 105 4.563 9.759 2.374 1.00 0.00 N ATOM 1604 CA ALA A 105 4.504 9.038 1.111 1.00 0.00 C ATOM 1605 C ALA A 105 3.171 9.243 0.369 1.00 0.00 C ATOM 1606 O ALA A 105 3.206 9.553 -0.817 1.00 0.00 O ATOM 1607 CB ALA A 105 4.708 7.553 1.410 1.00 0.00 C ATOM 0 H ALA A 105 4.698 9.142 3.175 1.00 0.00 H new ATOM 0 HA ALA A 105 5.284 9.425 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.669 6.986 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.679 7.407 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.922 7.205 2.080 1.00 0.00 H new ATOM 1613 N ILE A 106 2.006 9.050 1.015 1.00 0.00 N ATOM 1614 CA ILE A 106 0.706 9.135 0.325 1.00 0.00 C ATOM 1615 C ILE A 106 0.591 10.499 -0.356 1.00 0.00 C ATOM 1616 O ILE A 106 0.182 10.597 -1.514 1.00 0.00 O ATOM 1617 CB ILE A 106 -0.486 8.949 1.296 1.00 0.00 C ATOM 1618 CG1 ILE A 106 -0.570 7.558 1.941 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -1.842 9.263 0.633 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -0.855 6.383 1.003 1.00 0.00 C ATOM 0 H ILE A 106 1.939 8.835 2.010 1.00 0.00 H new ATOM 0 HA ILE A 106 0.664 8.329 -0.408 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.282 9.671 2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.372 7.363 2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.349 7.582 2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.644 9.117 1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.848 10.297 0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.995 8.597 -0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.890 5.458 1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.813 6.538 0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.066 6.315 0.255 1.00 0.00 H new ATOM 1632 N ASP A 107 0.908 11.547 0.400 1.00 0.00 N ATOM 1633 CA ASP A 107 0.709 12.930 -0.004 1.00 0.00 C ATOM 1634 C ASP A 107 1.674 13.292 -1.121 1.00 0.00 C ATOM 1635 O ASP A 107 1.263 13.914 -2.098 1.00 0.00 O ATOM 1636 CB ASP A 107 0.919 13.813 1.212 1.00 0.00 C ATOM 1637 CG ASP A 107 0.300 15.201 1.072 1.00 0.00 C ATOM 1638 OD1 ASP A 107 0.740 15.976 0.201 1.00 0.00 O ATOM 1639 OD2 ASP A 107 -0.596 15.522 1.893 1.00 0.00 O ATOM 0 H ASP A 107 1.319 11.453 1.329 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.301 13.075 -0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.493 13.321 2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.988 13.918 1.395 1.00 0.00 H new ATOM 1644 N PHE A 108 2.920 12.818 -0.992 1.00 0.00 N ATOM 1645 CA PHE A 108 3.956 12.890 -2.013 1.00 0.00 C ATOM 1646 C PHE A 108 3.420 12.325 -3.330 1.00 0.00 C ATOM 1647 O PHE A 108 3.223 13.098 -4.259 1.00 0.00 O ATOM 1648 CB PHE A 108 5.233 12.181 -1.534 1.00 0.00 C ATOM 1649 CG PHE A 108 6.423 12.310 -2.468 1.00 0.00 C ATOM 1650 CD1 PHE A 108 7.216 13.471 -2.502 1.00 0.00 C ATOM 1651 CD2 PHE A 108 6.761 11.226 -3.291 1.00 0.00 C ATOM 1652 CE1 PHE A 108 8.345 13.523 -3.343 1.00 0.00 C ATOM 1653 CE2 PHE A 108 7.927 11.241 -4.075 1.00 0.00 C ATOM 1654 CZ PHE A 108 8.716 12.404 -4.112 1.00 0.00 C ATOM 0 H PHE A 108 3.239 12.358 -0.139 1.00 0.00 H new ATOM 0 HA PHE A 108 4.229 13.930 -2.193 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.510 12.582 -0.559 1.00 0.00 H new ATOM 0 HB3 PHE A 108 5.013 11.123 -1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.960 14.320 -1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 108 6.113 10.363 -3.323 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.931 14.429 -3.398 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.214 10.368 -4.643 1.00 0.00 H new ATOM 0 HZ PHE A 108 9.603 12.439 -4.728 1.00 0.00 H new ATOM 1664 N LEU A 109 3.133 11.014 -3.416 1.00 0.00 N ATOM 1665 CA LEU A 109 2.522 10.377 -4.576 1.00 0.00 C ATOM 1666 C LEU A 109 1.335 11.179 -5.114 1.00 0.00 C ATOM 1667 O LEU A 109 1.251 11.407 -6.319 1.00 0.00 O ATOM 1668 CB LEU A 109 2.107 8.937 -4.226 1.00 0.00 C ATOM 1669 CG LEU A 109 3.257 7.914 -4.275 1.00 0.00 C ATOM 1670 CD1 LEU A 109 4.250 7.906 -3.120 1.00 0.00 C ATOM 1671 CD2 LEU A 109 2.701 6.487 -4.369 1.00 0.00 C ATOM 0 H LEU A 109 3.328 10.360 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 109 3.265 10.347 -5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.673 8.930 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.325 8.619 -4.916 1.00 0.00 H new ATOM 0 HG LEU A 109 3.810 8.241 -5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.002 7.135 -3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.737 8.879 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.723 7.698 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.527 5.776 -4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.080 6.280 -3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.101 6.389 -5.274 1.00 0.00 H new ATOM 1683 N ASN A 110 0.439 11.639 -4.239 1.00 0.00 N ATOM 1684 CA ASN A 110 -0.734 12.392 -4.670 1.00 0.00 C ATOM 1685 C ASN A 110 -0.354 13.700 -5.355 1.00 0.00 C ATOM 1686 O ASN A 110 -1.010 14.084 -6.319 1.00 0.00 O ATOM 1687 CB ASN A 110 -1.680 12.701 -3.495 1.00 0.00 C ATOM 1688 CG ASN A 110 -2.765 11.661 -3.293 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -3.943 11.946 -3.484 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -2.428 10.479 -2.811 1.00 0.00 N ATOM 0 H ASN A 110 0.505 11.502 -3.230 1.00 0.00 H new ATOM 0 HA ASN A 110 -1.250 11.754 -5.387 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.093 12.783 -2.580 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.147 13.672 -3.662 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.150 9.792 -2.594 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.446 10.253 -2.656 1.00 0.00 H new ATOM 1697 N ALA A 111 0.656 14.410 -4.855 1.00 0.00 N ATOM 1698 CA ALA A 111 1.063 15.702 -5.388 1.00 0.00 C ATOM 1699 C ALA A 111 2.041 15.571 -6.559 1.00 0.00 C ATOM 1700 O ALA A 111 2.345 16.580 -7.198 1.00 0.00 O ATOM 1701 CB ALA A 111 1.696 16.526 -4.267 1.00 0.00 C ATOM 0 H ALA A 111 1.217 14.099 -4.062 1.00 0.00 H new ATOM 0 HA ALA A 111 0.174 16.201 -5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.004 17.496 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.970 16.671 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.566 16.000 -3.875 1.00 0.00 H new ATOM 1707 N LEU A 112 2.585 14.379 -6.816 1.00 0.00 N ATOM 1708 CA LEU A 112 3.425 14.119 -7.980 1.00 0.00 C ATOM 1709 C LEU A 112 2.580 14.107 -9.240 1.00 0.00 C ATOM 1710 O LEU A 112 3.029 14.564 -10.288 1.00 0.00 O ATOM 1711 CB LEU A 112 4.113 12.754 -7.846 1.00 0.00 C ATOM 1712 CG LEU A 112 5.256 12.740 -6.824 1.00 0.00 C ATOM 1713 CD1 LEU A 112 5.608 11.301 -6.436 1.00 0.00 C ATOM 1714 CD2 LEU A 112 6.461 13.475 -7.395 1.00 0.00 C ATOM 0 H LEU A 112 2.452 13.564 -6.217 1.00 0.00 H new ATOM 0 HA LEU A 112 4.175 14.907 -8.040 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.371 12.009 -7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.503 12.456 -8.819 1.00 0.00 H new ATOM 0 HG LEU A 112 4.939 13.255 -5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.421 11.308 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.734 10.818 -5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.919 10.751 -7.324 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.272 13.464 -6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.788 12.982 -8.310 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.187 14.506 -7.617 1.00 0.00 H new