USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 817 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 102 TYR OH : rot -1:sc= 0.109 USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0.175 USER MOD Set 2.1: A 72 ASN : amide:sc= -1.34 X(o=-1.6,f=-1.6) USER MOD Set 2.2: A 82 LYS NZ :NH3+ -150:sc= -0.253 (180deg=-1.77) USER MOD Set 3.1: A 64 HIS : no HD1:sc= 0 X(o=-2.5,f=-2.5) USER MOD Set 3.2: A 68 GLN : amide:sc= -2.51! C(o=-2.5!,f=-4.4!) USER MOD Set 4.1: A 62 ASN : amide:sc= -0.961! X(o=-5.1!,f=-5.3) USER MOD Set 4.2: A 66 ASN : amide:sc= -4.09! C(o=-5.1!,f=-8!) USER MOD Set 5.1: A 23 TYR OH : rot 160:sc= 1.33 USER MOD Set 5.2: A 46 HIS : no HD1:sc= 0.0575 K(o=1.4,f=-4.4!) USER MOD Set 6.1: A 29 HIS :FLIP no HD1:sc= -3.15! C(o=-11!,f=-7.6!) USER MOD Set 6.2: A 30 ASN :FLIP amide:sc= -4.43! C(o=-11!,f=-7.6!) USER MOD Set 6.3: A 33 THR OG1 : rot 180:sc= 0.00373 USER MOD Single : A 16 CYS SG : rot 140:sc= -0.213 USER MOD Single : A 17 GLN : amide:sc= 0.519 K(o=0.52,f=-2.7) USER MOD Single : A 18 MET CE :methyl -160:sc= -0.014 (180deg=-0.176) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -85:sc= -0.703! USER MOD Single : A 25 ASN : amide:sc= 0.0908 K(o=0.091,f=-2.2!) USER MOD Single : A 27 ASN : amide:sc= -0.474 X(o=-0.47,f=-0.52) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 34 SER OG : rot -110:sc= -0.236 USER MOD Single : A 42 ASN : amide:sc= -0.474 K(o=-0.47,f=-1.4!) USER MOD Single : A 47 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.869) USER MOD Single : A 48 HIS :FLIP no HE2:sc= -5.79! C(o=-8!,f=-5.8!) USER MOD Single : A 57 SER OG : rot 180:sc=-0.00757 USER MOD Single : A 59 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.171) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 76 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00613) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -4.46! C(o=-4.5!,f=-23!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 97 LYS NZ :NH3+ -157:sc= -0.0919 (180deg=-0.422) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 80:sc= 0.289 USER MOD Single : A 105 THR OG1 : rot -86:sc= 1.25 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.27) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N ASP A 10 12.552 6.937 -1.719 1.00 0.00 N ATOM 99 CA ASP A 10 12.693 7.028 -3.167 1.00 0.00 C ATOM 100 C ASP A 10 12.332 5.703 -3.832 1.00 0.00 C ATOM 101 O ASP A 10 11.405 5.634 -4.638 1.00 0.00 O ATOM 102 CB ASP A 10 14.123 7.425 -3.537 1.00 0.00 C ATOM 103 CG ASP A 10 14.423 8.876 -3.214 1.00 0.00 C ATOM 104 OD1 ASP A 10 13.471 9.683 -3.173 1.00 0.00 O ATOM 105 OD2 ASP A 10 15.609 9.205 -3.004 1.00 0.00 O ATOM 0 HA ASP A 10 12.006 7.794 -3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.825 6.784 -3.003 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.281 7.253 -4.602 1.00 0.00 H new ATOM 110 N ALA A 11 13.071 4.654 -3.489 1.00 0.00 N ATOM 111 CA ALA A 11 12.829 3.331 -4.051 1.00 0.00 C ATOM 112 C ALA A 11 11.398 2.875 -3.783 1.00 0.00 C ATOM 113 O ALA A 11 10.791 2.185 -4.604 1.00 0.00 O ATOM 114 CB ALA A 11 13.820 2.326 -3.484 1.00 0.00 C ATOM 0 H ALA A 11 13.843 4.694 -2.824 1.00 0.00 H new ATOM 0 HA ALA A 11 12.968 3.391 -5.130 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.627 1.343 -3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.835 2.637 -3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.709 2.277 -2.401 1.00 0.00 H new ATOM 120 N LEU A 12 10.865 3.262 -2.629 1.00 0.00 N ATOM 121 CA LEU A 12 9.506 2.891 -2.252 1.00 0.00 C ATOM 122 C LEU A 12 8.493 3.866 -2.844 1.00 0.00 C ATOM 123 O LEU A 12 7.563 3.462 -3.543 1.00 0.00 O ATOM 124 CB LEU A 12 9.370 2.858 -0.729 1.00 0.00 C ATOM 125 CG LEU A 12 8.113 2.180 -0.183 1.00 0.00 C ATOM 126 CD1 LEU A 12 8.119 0.695 -0.514 1.00 0.00 C ATOM 127 CD2 LEU A 12 8.002 2.392 1.320 1.00 0.00 C ATOM 0 H LEU A 12 11.353 3.832 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 12 9.302 1.897 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.241 2.349 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.396 3.883 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 12 7.244 2.634 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.217 0.230 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.149 0.563 -1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.995 0.226 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.101 1.903 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.876 1.966 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.949 3.459 1.534 1.00 0.00 H new ATOM 139 N LEU A 13 8.679 5.149 -2.560 1.00 0.00 N ATOM 140 CA LEU A 13 7.783 6.183 -3.066 1.00 0.00 C ATOM 141 C LEU A 13 7.593 6.050 -4.573 1.00 0.00 C ATOM 142 O LEU A 13 6.491 6.238 -5.091 1.00 0.00 O ATOM 143 CB LEU A 13 8.331 7.571 -2.730 1.00 0.00 C ATOM 144 CG LEU A 13 7.588 8.755 -3.350 1.00 0.00 C ATOM 145 CD1 LEU A 13 6.307 9.042 -2.583 1.00 0.00 C ATOM 146 CD2 LEU A 13 8.480 9.987 -3.383 1.00 0.00 C ATOM 0 H LEU A 13 9.443 5.499 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 13 6.814 6.056 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.323 7.690 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.373 7.615 -3.048 1.00 0.00 H new ATOM 0 HG LEU A 13 7.323 8.496 -4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.792 9.888 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.661 8.165 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.549 9.280 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.934 10.819 -3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.777 10.249 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.369 9.777 -3.978 1.00 0.00 H new ATOM 158 N LEU A 14 8.673 5.723 -5.273 1.00 0.00 N ATOM 159 CA LEU A 14 8.626 5.561 -6.722 1.00 0.00 C ATOM 160 C LEU A 14 7.850 4.304 -7.106 1.00 0.00 C ATOM 161 O LEU A 14 7.061 4.315 -8.051 1.00 0.00 O ATOM 162 CB LEU A 14 10.043 5.492 -7.294 1.00 0.00 C ATOM 163 CG LEU A 14 10.161 5.010 -8.740 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.517 6.009 -9.690 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.619 4.784 -9.110 1.00 0.00 C ATOM 0 H LEU A 14 9.592 5.565 -4.861 1.00 0.00 H new ATOM 0 HA LEU A 14 8.112 6.426 -7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.490 6.484 -7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.636 4.831 -6.662 1.00 0.00 H new ATOM 0 HG LEU A 14 9.633 4.061 -8.830 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.611 5.649 -10.715 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.462 6.121 -9.440 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.016 6.973 -9.597 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.683 4.441 -10.143 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.171 5.718 -9.003 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.049 4.031 -8.450 1.00 0.00 H new ATOM 177 N TRP A 15 8.076 3.226 -6.364 1.00 0.00 N ATOM 178 CA TRP A 15 7.396 1.963 -6.625 1.00 0.00 C ATOM 179 C TRP A 15 5.884 2.156 -6.659 1.00 0.00 C ATOM 180 O TRP A 15 5.234 1.861 -7.663 1.00 0.00 O ATOM 181 CB TRP A 15 7.767 0.931 -5.558 1.00 0.00 C ATOM 182 CG TRP A 15 7.313 -0.458 -5.892 1.00 0.00 C ATOM 183 CD1 TRP A 15 7.728 -1.224 -6.943 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.358 -1.244 -5.172 1.00 0.00 C ATOM 185 NE1 TRP A 15 7.087 -2.439 -6.921 1.00 0.00 N ATOM 186 CE2 TRP A 15 6.241 -2.477 -5.844 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.590 -1.027 -4.024 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.388 -3.485 -5.405 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.743 -2.029 -3.590 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.649 -3.246 -4.278 1.00 0.00 C ATOM 0 H TRP A 15 8.725 3.201 -5.577 1.00 0.00 H new ATOM 0 HA TRP A 15 7.719 1.599 -7.600 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.849 0.930 -5.425 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.329 1.230 -4.606 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.453 -0.920 -7.683 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.220 -3.191 -7.597 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.657 -0.093 -3.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.312 -4.423 -5.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 4.143 -1.871 -2.706 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.980 -4.011 -3.912 1.00 0.00 H new ATOM 201 N CYS A 16 5.330 2.651 -5.558 1.00 0.00 N ATOM 202 CA CYS A 16 3.893 2.883 -5.463 1.00 0.00 C ATOM 203 C CYS A 16 3.421 3.831 -6.561 1.00 0.00 C ATOM 204 O CYS A 16 2.337 3.657 -7.119 1.00 0.00 O ATOM 205 CB CYS A 16 3.538 3.457 -4.091 1.00 0.00 C ATOM 206 SG CYS A 16 4.133 2.467 -2.699 1.00 0.00 S ATOM 0 H CYS A 16 5.854 2.899 -4.719 1.00 0.00 H new ATOM 0 HA CYS A 16 3.387 1.926 -5.591 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.952 4.462 -4.011 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.455 3.552 -4.018 1.00 0.00 H new ATOM 0 HG CYS A 16 4.573 3.255 -1.763 1.00 0.00 H new ATOM 212 N GLN A 17 4.241 4.831 -6.865 1.00 0.00 N ATOM 213 CA GLN A 17 3.905 5.807 -7.895 1.00 0.00 C ATOM 214 C GLN A 17 3.685 5.125 -9.241 1.00 0.00 C ATOM 215 O GLN A 17 2.787 5.496 -9.996 1.00 0.00 O ATOM 216 CB GLN A 17 5.014 6.854 -8.016 1.00 0.00 C ATOM 217 CG GLN A 17 4.862 8.016 -7.048 1.00 0.00 C ATOM 218 CD GLN A 17 6.066 8.938 -7.050 1.00 0.00 C ATOM 219 OE1 GLN A 17 7.124 8.596 -7.580 1.00 0.00 O ATOM 220 NE2 GLN A 17 5.911 10.115 -6.456 1.00 0.00 N ATOM 0 H GLN A 17 5.142 4.987 -6.413 1.00 0.00 H new ATOM 0 HA GLN A 17 2.978 6.301 -7.603 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.977 6.373 -7.845 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.028 7.240 -9.035 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.971 8.587 -7.309 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.708 7.628 -6.041 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.017 10.357 -6.030 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.686 10.777 -6.426 1.00 0.00 H new ATOM 229 N MET A 18 4.510 4.125 -9.534 1.00 0.00 N ATOM 230 CA MET A 18 4.404 3.389 -10.788 1.00 0.00 C ATOM 231 C MET A 18 3.173 2.489 -10.789 1.00 0.00 C ATOM 232 O MET A 18 2.412 2.460 -11.756 1.00 0.00 O ATOM 233 CB MET A 18 5.663 2.551 -11.021 1.00 0.00 C ATOM 234 CG MET A 18 6.909 3.384 -11.275 1.00 0.00 C ATOM 235 SD MET A 18 8.268 2.410 -11.949 1.00 0.00 S ATOM 236 CE MET A 18 8.750 1.459 -10.509 1.00 0.00 C ATOM 0 H MET A 18 5.259 3.806 -8.920 1.00 0.00 H new ATOM 0 HA MET A 18 4.303 4.113 -11.597 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.832 1.915 -10.152 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.498 1.891 -11.872 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.667 4.191 -11.967 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.228 3.849 -10.342 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.766 1.086 -10.642 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.710 2.094 -9.624 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.068 0.618 -10.384 1.00 0.00 H new ATOM 246 N LYS A 19 2.982 1.755 -9.698 1.00 0.00 N ATOM 247 CA LYS A 19 1.842 0.854 -9.572 1.00 0.00 C ATOM 248 C LYS A 19 0.529 1.632 -9.586 1.00 0.00 C ATOM 249 O LYS A 19 -0.328 1.407 -10.441 1.00 0.00 O ATOM 250 CB LYS A 19 1.949 0.041 -8.280 1.00 0.00 C ATOM 251 CG LYS A 19 3.271 -0.692 -8.132 1.00 0.00 C ATOM 252 CD LYS A 19 3.501 -1.665 -9.277 1.00 0.00 C ATOM 253 CE LYS A 19 4.472 -2.768 -8.885 1.00 0.00 C ATOM 254 NZ LYS A 19 5.133 -3.373 -10.074 1.00 0.00 N ATOM 0 H LYS A 19 3.602 1.766 -8.888 1.00 0.00 H new ATOM 0 HA LYS A 19 1.852 0.175 -10.425 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.815 0.708 -7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.135 -0.684 -8.248 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.087 0.030 -8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.284 -1.233 -7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.550 -2.106 -9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.890 -1.126 -10.141 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.230 -2.363 -8.215 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.939 -3.542 -8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.787 -4.120 -9.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.412 -3.782 -10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.663 -2.640 -10.587 1.00 0.00 H new ATOM 268 N THR A 20 0.379 2.549 -8.636 1.00 0.00 N ATOM 269 CA THR A 20 -0.828 3.360 -8.541 1.00 0.00 C ATOM 270 C THR A 20 -1.113 4.079 -9.854 1.00 0.00 C ATOM 271 O THR A 20 -2.258 4.417 -10.151 1.00 0.00 O ATOM 272 CB THR A 20 -0.717 4.403 -7.412 1.00 0.00 C ATOM 273 OG1 THR A 20 0.376 5.291 -7.671 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.516 3.723 -6.065 1.00 0.00 C ATOM 0 H THR A 20 1.079 2.749 -7.921 1.00 0.00 H new ATOM 0 HA THR A 20 -1.649 2.679 -8.318 1.00 0.00 H new ATOM 0 HB THR A 20 -1.647 4.971 -7.380 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.206 4.897 -7.329 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.440 4.479 -5.283 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.363 3.070 -5.857 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.400 3.133 -6.089 1.00 0.00 H new ATOM 282 N ALA A 21 -0.064 4.309 -10.637 1.00 0.00 N ATOM 283 CA ALA A 21 -0.203 4.985 -11.921 1.00 0.00 C ATOM 284 C ALA A 21 -1.358 4.401 -12.727 1.00 0.00 C ATOM 285 O ALA A 21 -2.184 5.135 -13.268 1.00 0.00 O ATOM 286 CB ALA A 21 1.095 4.891 -12.710 1.00 0.00 C ATOM 0 H ALA A 21 0.891 4.037 -10.405 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.423 6.035 -11.729 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.977 5.400 -13.667 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.899 5.362 -12.145 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.340 3.843 -12.884 1.00 0.00 H new ATOM 292 N GLY A 22 -1.409 3.075 -12.805 1.00 0.00 N ATOM 293 CA GLY A 22 -2.466 2.415 -13.548 1.00 0.00 C ATOM 294 C GLY A 22 -3.797 3.130 -13.422 1.00 0.00 C ATOM 295 O GLY A 22 -4.542 3.245 -14.395 1.00 0.00 O ATOM 0 H GLY A 22 -0.737 2.446 -12.367 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.186 2.358 -14.600 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.572 1.391 -13.191 1.00 0.00 H new ATOM 299 N TYR A 23 -4.097 3.611 -12.220 1.00 0.00 N ATOM 300 CA TYR A 23 -5.348 4.316 -11.971 1.00 0.00 C ATOM 301 C TYR A 23 -5.121 5.823 -11.900 1.00 0.00 C ATOM 302 O TYR A 23 -4.176 6.306 -11.277 1.00 0.00 O ATOM 303 CB TYR A 23 -5.983 3.824 -10.668 1.00 0.00 C ATOM 304 CG TYR A 23 -5.797 2.343 -10.425 1.00 0.00 C ATOM 305 CD1 TYR A 23 -4.611 1.850 -9.897 1.00 0.00 C ATOM 306 CD2 TYR A 23 -6.808 1.438 -10.725 1.00 0.00 C ATOM 307 CE1 TYR A 23 -4.436 0.498 -9.674 1.00 0.00 C ATOM 308 CE2 TYR A 23 -6.643 0.084 -10.504 1.00 0.00 C ATOM 309 CZ TYR A 23 -5.455 -0.381 -9.979 1.00 0.00 C ATOM 310 OH TYR A 23 -5.285 -1.728 -9.757 1.00 0.00 O ATOM 0 H TYR A 23 -3.491 3.525 -11.404 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.024 4.108 -12.800 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.554 4.377 -9.833 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.049 4.050 -10.685 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.812 2.535 -9.657 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.738 1.799 -11.138 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.507 0.131 -9.263 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.439 -0.606 -10.741 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.161 -2.165 -9.712 1.00 0.00 H new ATOM 320 N PRO A 24 -6.009 6.586 -12.556 1.00 0.00 N ATOM 321 CA PRO A 24 -5.929 8.048 -12.584 1.00 0.00 C ATOM 322 C PRO A 24 -6.246 8.672 -11.228 1.00 0.00 C ATOM 323 O PRO A 24 -5.486 9.496 -10.721 1.00 0.00 O ATOM 324 CB PRO A 24 -6.988 8.443 -13.615 1.00 0.00 C ATOM 325 CG PRO A 24 -7.963 7.316 -13.607 1.00 0.00 C ATOM 326 CD PRO A 24 -7.160 6.077 -13.320 1.00 0.00 C ATOM 0 HA PRO A 24 -4.926 8.396 -12.830 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.469 9.384 -13.348 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.548 8.579 -14.603 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.730 7.469 -12.848 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.475 7.236 -14.566 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.734 5.350 -12.745 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.845 5.581 -14.238 1.00 0.00 H new ATOM 334 N ASN A 25 -7.373 8.273 -10.648 1.00 0.00 N ATOM 335 CA ASN A 25 -7.791 8.794 -9.351 1.00 0.00 C ATOM 336 C ASN A 25 -6.672 8.655 -8.323 1.00 0.00 C ATOM 337 O ASN A 25 -6.367 9.596 -7.591 1.00 0.00 O ATOM 338 CB ASN A 25 -9.042 8.060 -8.863 1.00 0.00 C ATOM 339 CG ASN A 25 -10.051 7.837 -9.972 1.00 0.00 C ATOM 340 OD1 ASN A 25 -9.927 6.899 -10.759 1.00 0.00 O ATOM 341 ND2 ASN A 25 -11.058 8.702 -10.039 1.00 0.00 N ATOM 0 H ASN A 25 -8.013 7.591 -11.055 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.022 9.853 -9.469 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.753 7.098 -8.439 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.508 8.634 -8.062 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.768 8.603 -10.764 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.121 9.465 -9.365 1.00 0.00 H new ATOM 348 N VAL A 26 -6.064 7.474 -8.275 1.00 0.00 N ATOM 349 CA VAL A 26 -4.978 7.211 -7.338 1.00 0.00 C ATOM 350 C VAL A 26 -3.703 7.935 -7.758 1.00 0.00 C ATOM 351 O VAL A 26 -3.282 7.854 -8.911 1.00 0.00 O ATOM 352 CB VAL A 26 -4.685 5.703 -7.226 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.642 5.440 -6.152 1.00 0.00 C ATOM 354 CG2 VAL A 26 -5.965 4.933 -6.939 1.00 0.00 C ATOM 0 H VAL A 26 -6.305 6.684 -8.874 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.302 7.584 -6.366 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.285 5.356 -8.179 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.448 4.369 -6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.719 5.961 -6.406 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.010 5.801 -5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.740 3.869 -6.863 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.396 5.281 -6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.677 5.096 -7.748 1.00 0.00 H new ATOM 364 N ASN A 27 -3.093 8.643 -6.813 1.00 0.00 N ATOM 365 CA ASN A 27 -1.865 9.382 -7.084 1.00 0.00 C ATOM 366 C ASN A 27 -0.963 9.409 -5.855 1.00 0.00 C ATOM 367 O ASN A 27 -1.392 9.791 -4.765 1.00 0.00 O ATOM 368 CB ASN A 27 -2.192 10.811 -7.522 1.00 0.00 C ATOM 369 CG ASN A 27 -2.462 11.730 -6.346 1.00 0.00 C ATOM 370 OD1 ASN A 27 -1.576 12.454 -5.894 1.00 0.00 O ATOM 371 ND2 ASN A 27 -3.691 11.701 -5.844 1.00 0.00 N ATOM 0 H ASN A 27 -3.429 8.721 -5.853 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.335 8.874 -7.890 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.362 11.208 -8.106 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.064 10.797 -8.176 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.932 12.295 -5.051 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.394 11.084 -6.252 1.00 0.00 H new ATOM 378 N VAL A 28 0.289 9.002 -6.037 1.00 0.00 N ATOM 379 CA VAL A 28 1.253 8.982 -4.943 1.00 0.00 C ATOM 380 C VAL A 28 2.260 10.119 -5.076 1.00 0.00 C ATOM 381 O VAL A 28 3.098 10.118 -5.979 1.00 0.00 O ATOM 382 CB VAL A 28 2.012 7.643 -4.889 1.00 0.00 C ATOM 383 CG1 VAL A 28 2.791 7.522 -3.589 1.00 0.00 C ATOM 384 CG2 VAL A 28 1.048 6.478 -5.052 1.00 0.00 C ATOM 0 H VAL A 28 0.660 8.682 -6.932 1.00 0.00 H new ATOM 0 HA VAL A 28 0.687 9.108 -4.020 1.00 0.00 H new ATOM 0 HB VAL A 28 2.723 7.615 -5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.321 6.569 -3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.510 8.338 -3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.102 7.571 -2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.601 5.540 -5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.311 6.500 -4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.540 6.558 -6.013 1.00 0.00 H new ATOM 394 N HIS A 29 2.172 11.088 -4.171 1.00 0.00 N ATOM 395 CA HIS A 29 3.077 12.233 -4.187 1.00 0.00 C ATOM 396 C HIS A 29 3.711 12.442 -2.814 1.00 0.00 C ATOM 397 O HIS A 29 4.511 13.357 -2.623 1.00 0.00 O ATOM 398 CB HIS A 29 2.329 13.496 -4.613 1.00 0.00 C ATOM 399 CG HIS A 29 1.243 13.899 -3.663 1.00 0.00 C ATOM 400 ND1 HIS A 29 0.200 13.198 -3.162 1.00 0.00 N flip ATOM 401 CD2 HIS A 29 1.150 15.163 -3.120 1.00 0.00 C flip ATOM 402 CE1 HIS A 29 -0.496 14.042 -2.332 1.00 0.00 C flip ATOM 403 NE2 HIS A 29 0.097 15.221 -2.323 1.00 0.00 N flip ATOM 0 H HIS A 29 1.484 11.104 -3.418 1.00 0.00 H new ATOM 0 HA HIS A 29 3.869 12.029 -4.908 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.041 14.316 -4.706 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.896 13.336 -5.600 1.00 0.00 H new ATOM 0 HD2 HIS A 29 1.831 15.978 -3.315 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.385 13.783 -1.776 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -0.206 16.038 -1.792 1.00 0.00 H new ATOM 412 N ASN A 30 3.347 11.588 -1.863 1.00 0.00 N ATOM 413 CA ASN A 30 3.879 11.681 -0.509 1.00 0.00 C ATOM 414 C ASN A 30 3.396 10.514 0.347 1.00 0.00 C ATOM 415 O ASN A 30 2.598 9.690 -0.101 1.00 0.00 O ATOM 416 CB ASN A 30 3.465 13.006 0.135 1.00 0.00 C ATOM 417 CG ASN A 30 2.053 13.414 -0.237 1.00 0.00 C ATOM 418 OD1 ASN A 30 1.140 12.449 -0.240 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 1.786 14.581 -0.520 1.00 0.00 N flip ATOM 0 H ASN A 30 2.686 10.824 -2.005 1.00 0.00 H new ATOM 0 HA ASN A 30 4.966 11.639 -0.570 1.00 0.00 H new ATOM 0 HB2 ASN A 30 3.541 12.919 1.219 1.00 0.00 H new ATOM 0 HB3 ASN A 30 4.159 13.788 -0.172 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.519 15.290 -0.505 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.831 14.840 -0.770 1.00 0.00 H new ATOM 426 N PHE A 31 3.884 10.451 1.582 1.00 0.00 N ATOM 427 CA PHE A 31 3.503 9.385 2.500 1.00 0.00 C ATOM 428 C PHE A 31 2.593 9.918 3.604 1.00 0.00 C ATOM 429 O PHE A 31 2.562 9.383 4.712 1.00 0.00 O ATOM 430 CB PHE A 31 4.748 8.743 3.116 1.00 0.00 C ATOM 431 CG PHE A 31 5.502 7.862 2.162 1.00 0.00 C ATOM 432 CD1 PHE A 31 4.956 6.666 1.724 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.755 8.230 1.701 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.649 5.853 0.846 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.452 7.421 0.823 1.00 0.00 C ATOM 436 CZ PHE A 31 6.898 6.232 0.394 1.00 0.00 C ATOM 0 H PHE A 31 4.544 11.126 1.969 1.00 0.00 H new ATOM 0 HA PHE A 31 2.956 8.631 1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.413 9.529 3.475 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.452 8.155 3.985 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.979 6.366 2.072 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.193 9.160 2.031 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.214 4.922 0.514 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.429 7.719 0.473 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.440 5.599 -0.294 1.00 0.00 H new ATOM 446 N THR A 32 1.853 10.977 3.292 1.00 0.00 N ATOM 447 CA THR A 32 0.944 11.584 4.256 1.00 0.00 C ATOM 448 C THR A 32 -0.456 11.735 3.673 1.00 0.00 C ATOM 449 O THR A 32 -1.386 11.033 4.072 1.00 0.00 O ATOM 450 CB THR A 32 1.449 12.966 4.711 1.00 0.00 C ATOM 451 OG1 THR A 32 1.833 13.747 3.573 1.00 0.00 O ATOM 452 CG2 THR A 32 2.632 12.826 5.657 1.00 0.00 C ATOM 0 H THR A 32 1.865 11.432 2.379 1.00 0.00 H new ATOM 0 HA THR A 32 0.906 10.917 5.117 1.00 0.00 H new ATOM 0 HB THR A 32 0.638 13.468 5.239 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.151 14.625 3.871 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.971 13.815 5.965 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.330 12.257 6.536 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.444 12.306 5.149 1.00 0.00 H new ATOM 460 N THR A 33 -0.601 12.655 2.723 1.00 0.00 N ATOM 461 CA THR A 33 -1.889 12.898 2.085 1.00 0.00 C ATOM 462 C THR A 33 -2.074 12.003 0.864 1.00 0.00 C ATOM 463 O THR A 33 -2.772 12.366 -0.083 1.00 0.00 O ATOM 464 CB THR A 33 -2.034 14.370 1.655 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.032 14.698 0.685 1.00 0.00 O ATOM 466 CG2 THR A 33 -1.910 15.298 2.854 1.00 0.00 C ATOM 0 H THR A 33 0.158 13.244 2.379 1.00 0.00 H new ATOM 0 HA THR A 33 -2.657 12.666 2.823 1.00 0.00 H new ATOM 0 HB THR A 33 -3.022 14.502 1.214 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.132 15.635 0.416 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.016 16.332 2.526 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.692 15.065 3.577 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.934 15.163 3.319 1.00 0.00 H new ATOM 474 N SER A 34 -1.446 10.833 0.894 1.00 0.00 N ATOM 475 CA SER A 34 -1.540 9.887 -0.213 1.00 0.00 C ATOM 476 C SER A 34 -2.219 8.596 0.232 1.00 0.00 C ATOM 477 O SER A 34 -2.775 7.861 -0.584 1.00 0.00 O ATOM 478 CB SER A 34 -0.148 9.579 -0.768 1.00 0.00 C ATOM 479 OG SER A 34 -0.219 8.654 -1.839 1.00 0.00 O ATOM 0 H SER A 34 -0.867 10.517 1.672 1.00 0.00 H new ATOM 0 HA SER A 34 -2.144 10.343 -0.998 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.323 10.501 -1.110 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.482 9.175 0.025 1.00 0.00 H new ATOM 0 HG SER A 34 0.159 7.795 -1.555 1.00 0.00 H new ATOM 485 N TRP A 35 -2.170 8.326 1.532 1.00 0.00 N ATOM 486 CA TRP A 35 -2.780 7.123 2.086 1.00 0.00 C ATOM 487 C TRP A 35 -3.851 7.480 3.111 1.00 0.00 C ATOM 488 O TRP A 35 -4.362 6.610 3.818 1.00 0.00 O ATOM 489 CB TRP A 35 -1.714 6.237 2.731 1.00 0.00 C ATOM 490 CG TRP A 35 -0.457 6.135 1.922 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.452 7.126 1.691 1.00 0.00 C ATOM 492 CD2 TRP A 35 0.027 4.975 1.234 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.473 6.654 0.901 1.00 0.00 N ATOM 494 CE2 TRP A 35 1.236 5.337 0.608 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.442 3.668 1.087 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.979 4.437 -0.152 1.00 0.00 C ATOM 497 CZ3 TRP A 35 0.295 2.775 0.333 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.496 3.163 -0.279 1.00 0.00 C ATOM 0 H TRP A 35 -1.714 8.924 2.221 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.252 6.575 1.270 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.472 6.632 3.717 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.124 5.238 2.880 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.380 8.134 2.073 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.277 7.196 0.584 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.365 3.360 1.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.904 4.734 -0.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.059 1.762 0.213 1.00 0.00 H new ATOM 0 HH2 TRP A 35 2.050 2.442 -0.862 1.00 0.00 H new ATOM 509 N ARG A 36 -4.187 8.764 3.188 1.00 0.00 N ATOM 510 CA ARG A 36 -5.198 9.234 4.128 1.00 0.00 C ATOM 511 C ARG A 36 -6.530 8.528 3.893 1.00 0.00 C ATOM 512 O ARG A 36 -7.078 7.899 4.798 1.00 0.00 O ATOM 513 CB ARG A 36 -5.380 10.748 3.998 1.00 0.00 C ATOM 514 CG ARG A 36 -6.349 11.334 5.011 1.00 0.00 C ATOM 515 CD ARG A 36 -7.002 12.603 4.490 1.00 0.00 C ATOM 516 NE ARG A 36 -7.924 13.185 5.462 1.00 0.00 N ATOM 517 CZ ARG A 36 -9.172 12.765 5.634 1.00 0.00 C ATOM 518 NH1 ARG A 36 -9.645 11.765 4.902 1.00 0.00 N ATOM 519 NH2 ARG A 36 -9.950 13.344 6.539 1.00 0.00 N ATOM 0 H ARG A 36 -3.774 9.497 2.611 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.857 9.001 5.137 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.411 11.233 4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.735 10.978 2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.118 10.599 5.247 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.820 11.551 5.939 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.230 13.332 4.241 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.540 12.381 3.568 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.591 13.956 6.040 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.050 11.317 4.205 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.604 11.444 5.036 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.590 14.113 7.104 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.908 13.020 6.670 1.00 0.00 H new ATOM 533 N ASP A 37 -7.045 8.638 2.674 1.00 0.00 N ATOM 534 CA ASP A 37 -8.312 8.010 2.319 1.00 0.00 C ATOM 535 C ASP A 37 -8.202 6.489 2.380 1.00 0.00 C ATOM 536 O ASP A 37 -9.078 5.814 2.916 1.00 0.00 O ATOM 537 CB ASP A 37 -8.749 8.447 0.920 1.00 0.00 C ATOM 538 CG ASP A 37 -9.444 9.794 0.924 1.00 0.00 C ATOM 539 OD1 ASP A 37 -10.229 10.054 1.861 1.00 0.00 O ATOM 540 OD2 ASP A 37 -9.203 10.589 -0.009 1.00 0.00 O ATOM 0 H ASP A 37 -6.604 9.157 1.914 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.062 8.331 3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.877 8.494 0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.420 7.697 0.501 1.00 0.00 H new ATOM 545 N GLY A 38 -7.116 5.958 1.825 1.00 0.00 N ATOM 546 CA GLY A 38 -6.911 4.521 1.825 1.00 0.00 C ATOM 547 C GLY A 38 -6.832 3.947 0.425 1.00 0.00 C ATOM 548 O GLY A 38 -6.176 2.929 0.199 1.00 0.00 O ATOM 0 H GLY A 38 -6.375 6.497 1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.992 4.288 2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.726 4.041 2.366 1.00 0.00 H new ATOM 552 N LEU A 39 -7.503 4.598 -0.520 1.00 0.00 N ATOM 553 CA LEU A 39 -7.507 4.145 -1.906 1.00 0.00 C ATOM 554 C LEU A 39 -6.142 3.592 -2.302 1.00 0.00 C ATOM 555 O LEU A 39 -6.046 2.530 -2.915 1.00 0.00 O ATOM 556 CB LEU A 39 -7.895 5.296 -2.838 1.00 0.00 C ATOM 557 CG LEU A 39 -9.346 5.769 -2.750 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.555 7.007 -3.608 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.296 4.659 -3.174 1.00 0.00 C ATOM 0 H LEU A 39 -8.051 5.441 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.243 3.346 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.244 6.144 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.695 4.989 -3.865 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.562 6.028 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.593 7.330 -3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.900 7.806 -3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.321 6.774 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.324 5.014 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.081 4.369 -4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.165 3.798 -2.519 1.00 0.00 H new ATOM 571 N ALA A 40 -5.089 4.321 -1.947 1.00 0.00 N ATOM 572 CA ALA A 40 -3.729 3.901 -2.262 1.00 0.00 C ATOM 573 C ALA A 40 -3.512 2.433 -1.911 1.00 0.00 C ATOM 574 O ALA A 40 -3.066 1.644 -2.746 1.00 0.00 O ATOM 575 CB ALA A 40 -2.722 4.775 -1.528 1.00 0.00 C ATOM 0 H ALA A 40 -5.152 5.205 -1.441 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.580 4.017 -3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.711 4.450 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.852 5.814 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.881 4.689 -0.453 1.00 0.00 H new ATOM 581 N PHE A 41 -3.829 2.072 -0.672 1.00 0.00 N ATOM 582 CA PHE A 41 -3.667 0.699 -0.210 1.00 0.00 C ATOM 583 C PHE A 41 -4.516 -0.258 -1.042 1.00 0.00 C ATOM 584 O PHE A 41 -4.079 -1.356 -1.384 1.00 0.00 O ATOM 585 CB PHE A 41 -4.050 0.585 1.267 1.00 0.00 C ATOM 586 CG PHE A 41 -3.096 1.291 2.188 1.00 0.00 C ATOM 587 CD1 PHE A 41 -1.787 0.854 2.318 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.508 2.389 2.925 1.00 0.00 C ATOM 589 CE1 PHE A 41 -0.907 1.500 3.165 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.632 3.039 3.774 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.331 2.594 3.895 1.00 0.00 C ATOM 0 H PHE A 41 -4.200 2.712 0.030 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.619 0.425 -0.328 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.050 0.995 1.408 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.096 -0.469 1.542 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.451 -0.001 1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.525 2.741 2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.111 1.150 3.256 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.965 3.895 4.342 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.646 3.100 4.559 1.00 0.00 H new ATOM 601 N ASN A 42 -5.734 0.167 -1.363 1.00 0.00 N ATOM 602 CA ASN A 42 -6.645 -0.651 -2.154 1.00 0.00 C ATOM 603 C ASN A 42 -6.278 -0.600 -3.634 1.00 0.00 C ATOM 604 O ASN A 42 -6.912 -1.253 -4.463 1.00 0.00 O ATOM 605 CB ASN A 42 -8.088 -0.179 -1.958 1.00 0.00 C ATOM 606 CG ASN A 42 -8.508 -0.193 -0.501 1.00 0.00 C ATOM 607 OD1 ASN A 42 -8.759 -1.253 0.074 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.588 0.987 0.103 1.00 0.00 N ATOM 0 H ASN A 42 -6.112 1.073 -1.087 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.557 -1.682 -1.812 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.194 0.831 -2.354 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.758 -0.819 -2.533 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.867 1.041 1.083 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.371 1.840 -0.413 1.00 0.00 H new ATOM 615 N ALA A 43 -5.252 0.179 -3.957 1.00 0.00 N ATOM 616 CA ALA A 43 -4.798 0.314 -5.336 1.00 0.00 C ATOM 617 C ALA A 43 -3.601 -0.591 -5.610 1.00 0.00 C ATOM 618 O ALA A 43 -3.464 -1.139 -6.703 1.00 0.00 O ATOM 619 CB ALA A 43 -4.449 1.763 -5.637 1.00 0.00 C ATOM 0 H ALA A 43 -4.719 0.727 -3.282 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.611 0.005 -5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.112 1.849 -6.670 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.330 2.388 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.655 2.093 -4.967 1.00 0.00 H new ATOM 625 N ILE A 44 -2.737 -0.738 -4.611 1.00 0.00 N ATOM 626 CA ILE A 44 -1.551 -1.576 -4.747 1.00 0.00 C ATOM 627 C ILE A 44 -1.931 -3.041 -4.936 1.00 0.00 C ATOM 628 O ILE A 44 -1.459 -3.701 -5.861 1.00 0.00 O ATOM 629 CB ILE A 44 -0.630 -1.451 -3.518 1.00 0.00 C ATOM 630 CG1 ILE A 44 -0.154 -0.005 -3.356 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.555 -2.394 -3.646 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.463 0.279 -2.004 1.00 0.00 C ATOM 0 H ILE A 44 -2.835 -0.289 -3.700 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.016 -1.225 -5.630 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.195 -1.729 -2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.576 0.218 -4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.999 0.667 -3.509 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.196 -2.294 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.197 -3.421 -3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.123 -2.145 -4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.778 1.322 -1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.271 0.088 -1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.328 -0.368 -1.856 1.00 0.00 H new ATOM 644 N VAL A 45 -2.790 -3.542 -4.053 1.00 0.00 N ATOM 645 CA VAL A 45 -3.237 -4.929 -4.124 1.00 0.00 C ATOM 646 C VAL A 45 -3.972 -5.202 -5.430 1.00 0.00 C ATOM 647 O VAL A 45 -3.544 -6.032 -6.235 1.00 0.00 O ATOM 648 CB VAL A 45 -4.160 -5.282 -2.944 1.00 0.00 C ATOM 649 CG1 VAL A 45 -4.589 -6.739 -3.018 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.469 -4.988 -1.620 1.00 0.00 C ATOM 0 H VAL A 45 -3.190 -3.009 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.344 -5.553 -4.076 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.054 -4.661 -3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.241 -6.970 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.126 -6.913 -3.951 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.708 -7.380 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.136 -5.244 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.557 -5.581 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.218 -3.929 -1.568 1.00 0.00 H new ATOM 660 N HIS A 46 -5.082 -4.500 -5.637 1.00 0.00 N ATOM 661 CA HIS A 46 -5.878 -4.667 -6.848 1.00 0.00 C ATOM 662 C HIS A 46 -4.983 -4.938 -8.053 1.00 0.00 C ATOM 663 O HIS A 46 -5.307 -5.764 -8.908 1.00 0.00 O ATOM 664 CB HIS A 46 -6.730 -3.423 -7.099 1.00 0.00 C ATOM 665 CG HIS A 46 -7.767 -3.611 -8.162 1.00 0.00 C ATOM 666 ND1 HIS A 46 -7.913 -2.753 -9.232 1.00 0.00 N ATOM 667 CD2 HIS A 46 -8.711 -4.568 -8.319 1.00 0.00 C ATOM 668 CE1 HIS A 46 -8.903 -3.172 -9.999 1.00 0.00 C ATOM 669 NE2 HIS A 46 -9.404 -4.272 -9.467 1.00 0.00 N ATOM 0 H HIS A 46 -5.450 -3.810 -4.982 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.535 -5.525 -6.706 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.222 -3.137 -6.170 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.077 -2.597 -7.382 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -8.887 -5.408 -7.663 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.245 -2.696 -10.906 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.180 -4.814 -9.847 1.00 0.00 H new ATOM 678 N LYS A 47 -3.857 -4.236 -8.117 1.00 0.00 N ATOM 679 CA LYS A 47 -2.914 -4.400 -9.217 1.00 0.00 C ATOM 680 C LYS A 47 -2.359 -5.820 -9.251 1.00 0.00 C ATOM 681 O LYS A 47 -2.289 -6.445 -10.311 1.00 0.00 O ATOM 682 CB LYS A 47 -1.767 -3.396 -9.087 1.00 0.00 C ATOM 683 CG LYS A 47 -0.921 -3.273 -10.343 1.00 0.00 C ATOM 684 CD LYS A 47 -1.596 -2.399 -11.387 1.00 0.00 C ATOM 685 CE LYS A 47 -0.596 -1.879 -12.408 1.00 0.00 C ATOM 686 NZ LYS A 47 -1.252 -1.029 -13.442 1.00 0.00 N ATOM 0 H LYS A 47 -3.575 -3.547 -7.419 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.447 -4.215 -10.150 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.178 -2.418 -8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.127 -3.693 -8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.051 -2.852 -10.088 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.740 -4.264 -10.759 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.373 -2.971 -11.895 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.088 -1.559 -10.897 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.176 -1.302 -11.899 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.099 -2.720 -12.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.979 -1.361 -14.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.285 -1.091 -13.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.950 -0.041 -13.322 1.00 0.00 H new ATOM 700 N HIS A 48 -1.967 -6.326 -8.086 1.00 0.00 N ATOM 701 CA HIS A 48 -1.419 -7.674 -7.982 1.00 0.00 C ATOM 702 C HIS A 48 -2.532 -8.716 -8.034 1.00 0.00 C ATOM 703 O HIS A 48 -2.491 -9.643 -8.844 1.00 0.00 O ATOM 704 CB HIS A 48 -0.622 -7.825 -6.687 1.00 0.00 C ATOM 705 CG HIS A 48 0.276 -6.662 -6.397 1.00 0.00 C ATOM 706 ND1 HIS A 48 0.308 -5.809 -5.348 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 1.290 -6.265 -7.244 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 1.332 -4.921 -5.577 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 1.908 -5.219 -6.727 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.019 -5.823 -7.200 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.753 -7.836 -8.829 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.316 -7.954 -5.856 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.021 -8.732 -6.744 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.312 -5.822 -4.538 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.539 -6.736 -8.183 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.619 -4.111 -4.923 1.00 0.00 H new ATOM 718 N ARG A 49 -3.524 -8.559 -7.164 1.00 0.00 N ATOM 719 CA ARG A 49 -4.647 -9.489 -7.110 1.00 0.00 C ATOM 720 C ARG A 49 -5.972 -8.752 -7.279 1.00 0.00 C ATOM 721 O ARG A 49 -6.616 -8.351 -6.309 1.00 0.00 O ATOM 722 CB ARG A 49 -4.641 -10.251 -5.784 1.00 0.00 C ATOM 723 CG ARG A 49 -3.336 -10.980 -5.506 1.00 0.00 C ATOM 724 CD ARG A 49 -3.402 -12.432 -5.957 1.00 0.00 C ATOM 725 NE ARG A 49 -4.211 -12.595 -7.162 1.00 0.00 N ATOM 726 CZ ARG A 49 -4.047 -13.589 -8.027 1.00 0.00 C ATOM 727 NH1 ARG A 49 -3.110 -14.504 -7.821 1.00 0.00 N ATOM 728 NH2 ARG A 49 -4.822 -13.670 -9.101 1.00 0.00 N ATOM 0 H ARG A 49 -3.574 -7.798 -6.487 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.539 -10.199 -7.930 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.837 -9.551 -4.972 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.457 -10.973 -5.786 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.519 -10.475 -6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.115 -10.939 -4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.393 -12.799 -6.145 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.819 -13.042 -5.155 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.941 -11.908 -7.349 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.513 -14.446 -6.996 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.986 -15.266 -8.487 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.544 -12.968 -9.263 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.695 -14.434 -9.765 1.00 0.00 H new ATOM 742 N PRO A 50 -6.390 -8.566 -8.540 1.00 0.00 N ATOM 743 CA PRO A 50 -7.642 -7.877 -8.866 1.00 0.00 C ATOM 744 C PRO A 50 -8.871 -8.689 -8.474 1.00 0.00 C ATOM 745 O PRO A 50 -10.004 -8.280 -8.726 1.00 0.00 O ATOM 746 CB PRO A 50 -7.571 -7.713 -10.386 1.00 0.00 C ATOM 747 CG PRO A 50 -6.678 -8.814 -10.845 1.00 0.00 C ATOM 748 CD PRO A 50 -5.673 -9.017 -9.745 1.00 0.00 C ATOM 0 HA PRO A 50 -7.741 -6.935 -8.326 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.559 -7.790 -10.839 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.170 -6.737 -10.661 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.246 -9.726 -11.028 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.185 -8.552 -11.781 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.370 -10.061 -9.665 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.768 -8.435 -9.915 1.00 0.00 H new ATOM 756 N ASP A 51 -8.639 -9.842 -7.856 1.00 0.00 N ATOM 757 CA ASP A 51 -9.728 -10.712 -7.428 1.00 0.00 C ATOM 758 C ASP A 51 -10.183 -10.358 -6.015 1.00 0.00 C ATOM 759 O ASP A 51 -11.381 -10.282 -5.738 1.00 0.00 O ATOM 760 CB ASP A 51 -9.292 -12.177 -7.484 1.00 0.00 C ATOM 761 CG ASP A 51 -10.307 -13.109 -6.851 1.00 0.00 C ATOM 762 OD1 ASP A 51 -10.468 -13.058 -5.614 1.00 0.00 O ATOM 763 OD2 ASP A 51 -10.940 -13.888 -7.593 1.00 0.00 O ATOM 0 H ASP A 51 -7.707 -10.196 -7.640 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.566 -10.564 -8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.136 -12.467 -8.523 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.335 -12.288 -6.975 1.00 0.00 H new ATOM 768 N LEU A 52 -9.221 -10.144 -5.126 1.00 0.00 N ATOM 769 CA LEU A 52 -9.522 -9.799 -3.740 1.00 0.00 C ATOM 770 C LEU A 52 -10.591 -8.714 -3.670 1.00 0.00 C ATOM 771 O LEU A 52 -11.670 -8.926 -3.114 1.00 0.00 O ATOM 772 CB LEU A 52 -8.254 -9.329 -3.024 1.00 0.00 C ATOM 773 CG LEU A 52 -7.055 -10.275 -3.090 1.00 0.00 C ATOM 774 CD1 LEU A 52 -6.001 -9.875 -2.070 1.00 0.00 C ATOM 775 CD2 LEU A 52 -7.498 -11.714 -2.866 1.00 0.00 C ATOM 0 H LEU A 52 -8.225 -10.203 -5.339 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.903 -10.691 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.957 -8.369 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.496 -9.155 -1.976 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.614 -10.202 -4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.156 -10.560 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.661 -8.860 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.429 -9.918 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.632 -12.373 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.965 -11.802 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.215 -11.998 -3.636 1.00 0.00 H new ATOM 787 N LEU A 53 -10.286 -7.552 -4.237 1.00 0.00 N ATOM 788 CA LEU A 53 -11.223 -6.434 -4.241 1.00 0.00 C ATOM 789 C LEU A 53 -11.473 -5.937 -5.662 1.00 0.00 C ATOM 790 O LEU A 53 -10.849 -6.409 -6.613 1.00 0.00 O ATOM 791 CB LEU A 53 -10.686 -5.291 -3.376 1.00 0.00 C ATOM 792 CG LEU A 53 -9.461 -4.557 -3.921 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.365 -3.162 -3.320 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.194 -5.349 -3.635 1.00 0.00 C ATOM 0 H LEU A 53 -9.398 -7.359 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.169 -6.783 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.486 -4.565 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.438 -5.691 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.570 -4.460 -5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.487 -2.654 -3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.260 -2.594 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.279 -3.238 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.332 -4.811 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.080 -5.477 -2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.261 -6.327 -4.111 1.00 0.00 H new ATOM 806 N ASP A 54 -12.387 -4.983 -5.798 1.00 0.00 N ATOM 807 CA ASP A 54 -12.718 -4.420 -7.101 1.00 0.00 C ATOM 808 C ASP A 54 -12.146 -3.013 -7.246 1.00 0.00 C ATOM 809 O ASP A 54 -11.652 -2.638 -8.309 1.00 0.00 O ATOM 810 CB ASP A 54 -14.233 -4.392 -7.299 1.00 0.00 C ATOM 811 CG ASP A 54 -14.818 -5.777 -7.499 1.00 0.00 C ATOM 812 OD1 ASP A 54 -14.826 -6.257 -8.652 1.00 0.00 O ATOM 813 OD2 ASP A 54 -15.266 -6.381 -6.502 1.00 0.00 O ATOM 0 H ASP A 54 -12.912 -4.583 -5.021 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.272 -5.054 -7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.701 -3.925 -6.432 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.472 -3.772 -8.163 1.00 0.00 H new ATOM 818 N PHE A 55 -12.219 -2.236 -6.170 1.00 0.00 N ATOM 819 CA PHE A 55 -11.712 -0.870 -6.177 1.00 0.00 C ATOM 820 C PHE A 55 -12.517 0.004 -7.135 1.00 0.00 C ATOM 821 O PHE A 55 -11.979 0.918 -7.758 1.00 0.00 O ATOM 822 CB PHE A 55 -10.234 -0.854 -6.574 1.00 0.00 C ATOM 823 CG PHE A 55 -9.580 0.486 -6.394 1.00 0.00 C ATOM 824 CD1 PHE A 55 -9.193 0.919 -5.135 1.00 0.00 C ATOM 825 CD2 PHE A 55 -9.350 1.312 -7.482 1.00 0.00 C ATOM 826 CE1 PHE A 55 -8.591 2.151 -4.965 1.00 0.00 C ATOM 827 CE2 PHE A 55 -8.748 2.545 -7.319 1.00 0.00 C ATOM 828 CZ PHE A 55 -8.368 2.965 -6.058 1.00 0.00 C ATOM 0 H PHE A 55 -12.625 -2.530 -5.282 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.815 -0.465 -5.170 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.698 -1.594 -5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.143 -1.157 -7.617 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.364 0.286 -4.277 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.645 0.988 -8.469 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.295 2.477 -3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.575 3.180 -8.175 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.897 3.928 -5.928 1.00 0.00 H new ATOM 838 N GLU A 56 -13.809 -0.287 -7.247 1.00 0.00 N ATOM 839 CA GLU A 56 -14.688 0.472 -8.130 1.00 0.00 C ATOM 840 C GLU A 56 -15.833 1.105 -7.346 1.00 0.00 C ATOM 841 O GLU A 56 -16.268 2.215 -7.649 1.00 0.00 O ATOM 842 CB GLU A 56 -15.248 -0.434 -9.230 1.00 0.00 C ATOM 843 CG GLU A 56 -16.292 -1.419 -8.732 1.00 0.00 C ATOM 844 CD GLU A 56 -16.665 -2.451 -9.779 1.00 0.00 C ATOM 845 OE1 GLU A 56 -15.799 -3.279 -10.132 1.00 0.00 O ATOM 846 OE2 GLU A 56 -17.824 -2.432 -10.245 1.00 0.00 O ATOM 0 H GLU A 56 -14.270 -1.041 -6.738 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.101 1.268 -8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.688 0.186 -10.011 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.427 -0.987 -9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.913 -1.927 -7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.186 -0.874 -8.430 1.00 0.00 H new ATOM 853 N SER A 57 -16.317 0.390 -6.335 1.00 0.00 N ATOM 854 CA SER A 57 -17.415 0.879 -5.509 1.00 0.00 C ATOM 855 C SER A 57 -16.948 2.013 -4.603 1.00 0.00 C ATOM 856 O SER A 57 -17.649 3.010 -4.425 1.00 0.00 O ATOM 857 CB SER A 57 -17.992 -0.259 -4.665 1.00 0.00 C ATOM 858 OG SER A 57 -17.024 -0.766 -3.763 1.00 0.00 O ATOM 0 H SER A 57 -15.966 -0.530 -6.068 1.00 0.00 H new ATOM 0 HA SER A 57 -18.193 1.262 -6.170 1.00 0.00 H new ATOM 0 HB2 SER A 57 -18.859 0.099 -4.110 1.00 0.00 H new ATOM 0 HB3 SER A 57 -18.340 -1.060 -5.318 1.00 0.00 H new ATOM 0 HG SER A 57 -17.418 -1.491 -3.234 1.00 0.00 H new ATOM 864 N LEU A 58 -15.759 1.856 -4.032 1.00 0.00 N ATOM 865 CA LEU A 58 -15.196 2.866 -3.143 1.00 0.00 C ATOM 866 C LEU A 58 -15.572 4.270 -3.607 1.00 0.00 C ATOM 867 O LEU A 58 -15.095 4.743 -4.638 1.00 0.00 O ATOM 868 CB LEU A 58 -13.674 2.728 -3.080 1.00 0.00 C ATOM 869 CG LEU A 58 -13.140 1.335 -2.746 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.621 1.312 -2.826 1.00 0.00 C ATOM 871 CD2 LEU A 58 -13.610 0.900 -1.366 1.00 0.00 C ATOM 0 H LEU A 58 -15.165 1.038 -4.169 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.610 2.709 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.261 3.032 -4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.296 3.428 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.533 0.631 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.259 0.312 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.306 1.579 -3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.208 2.028 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.220 -0.094 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.248 1.606 -0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.699 0.876 -1.344 1.00 0.00 H new ATOM 883 N LYS A 59 -16.430 4.932 -2.837 1.00 0.00 N ATOM 884 CA LYS A 59 -16.868 6.282 -3.167 1.00 0.00 C ATOM 885 C LYS A 59 -15.880 7.319 -2.640 1.00 0.00 C ATOM 886 O LYS A 59 -16.263 8.433 -2.285 1.00 0.00 O ATOM 887 CB LYS A 59 -18.258 6.546 -2.583 1.00 0.00 C ATOM 888 CG LYS A 59 -19.060 7.574 -3.362 1.00 0.00 C ATOM 889 CD LYS A 59 -20.107 8.244 -2.488 1.00 0.00 C ATOM 890 CE LYS A 59 -21.408 7.455 -2.474 1.00 0.00 C ATOM 891 NZ LYS A 59 -21.394 6.380 -1.444 1.00 0.00 N ATOM 0 H LYS A 59 -16.835 4.555 -1.980 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.913 6.367 -4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -18.815 5.609 -2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.152 6.885 -1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.387 8.329 -3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -19.547 7.091 -4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -19.727 8.339 -1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -20.296 9.253 -2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -22.241 8.131 -2.282 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -21.576 7.014 -3.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -22.368 6.072 -1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -20.838 5.573 -1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -20.966 6.743 -0.569 1.00 0.00 H new ATOM 905 N LYS A 60 -14.606 6.943 -2.594 1.00 0.00 N ATOM 906 CA LYS A 60 -13.562 7.841 -2.113 1.00 0.00 C ATOM 907 C LYS A 60 -14.083 8.731 -0.989 1.00 0.00 C ATOM 908 O LYS A 60 -13.658 9.878 -0.845 1.00 0.00 O ATOM 909 CB LYS A 60 -13.036 8.705 -3.261 1.00 0.00 C ATOM 910 CG LYS A 60 -14.046 9.718 -3.771 1.00 0.00 C ATOM 911 CD LYS A 60 -13.615 10.313 -5.102 1.00 0.00 C ATOM 912 CE LYS A 60 -14.090 9.465 -6.272 1.00 0.00 C ATOM 913 NZ LYS A 60 -13.955 10.184 -7.569 1.00 0.00 N ATOM 0 H LYS A 60 -14.272 6.024 -2.884 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.747 7.233 -1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.142 9.232 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.736 8.057 -4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.019 9.239 -3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.166 10.515 -3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.015 11.322 -5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.529 10.397 -5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.514 8.540 -6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.132 9.186 -6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.289 9.573 -8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.525 11.054 -7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.957 10.428 -7.728 1.00 0.00 H new ATOM 927 N CYS A 61 -15.004 8.197 -0.196 1.00 0.00 N ATOM 928 CA CYS A 61 -15.583 8.943 0.915 1.00 0.00 C ATOM 929 C CYS A 61 -15.427 8.177 2.224 1.00 0.00 C ATOM 930 O CYS A 61 -14.886 8.697 3.198 1.00 0.00 O ATOM 931 CB CYS A 61 -17.062 9.228 0.650 1.00 0.00 C ATOM 932 SG CYS A 61 -17.738 10.592 1.625 1.00 0.00 S ATOM 0 H CYS A 61 -15.366 7.249 -0.302 1.00 0.00 H new ATOM 0 HA CYS A 61 -15.049 9.889 1.003 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.194 9.452 -0.409 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.638 8.326 0.859 1.00 0.00 H new ATOM 0 HG CYS A 61 -18.993 10.757 1.329 1.00 0.00 H new ATOM 938 N ASN A 62 -15.907 6.937 2.240 1.00 0.00 N ATOM 939 CA ASN A 62 -15.823 6.100 3.430 1.00 0.00 C ATOM 940 C ASN A 62 -14.414 5.537 3.601 1.00 0.00 C ATOM 941 O ASN A 62 -14.147 4.390 3.246 1.00 0.00 O ATOM 942 CB ASN A 62 -16.834 4.956 3.348 1.00 0.00 C ATOM 943 CG ASN A 62 -16.965 4.400 1.943 1.00 0.00 C ATOM 944 OD1 ASN A 62 -17.899 4.735 1.215 1.00 0.00 O ATOM 945 ND2 ASN A 62 -16.026 3.545 1.556 1.00 0.00 N ATOM 0 H ASN A 62 -16.358 6.490 1.442 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.056 6.720 4.296 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -16.531 4.157 4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.807 5.310 3.688 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.061 3.138 0.622 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.269 3.296 2.193 1.00 0.00 H new ATOM 952 N ALA A 63 -13.520 6.353 4.148 1.00 0.00 N ATOM 953 CA ALA A 63 -12.141 5.936 4.369 1.00 0.00 C ATOM 954 C ALA A 63 -12.062 4.827 5.412 1.00 0.00 C ATOM 955 O ALA A 63 -11.155 3.993 5.381 1.00 0.00 O ATOM 956 CB ALA A 63 -11.292 7.125 4.794 1.00 0.00 C ATOM 0 H ALA A 63 -13.726 7.306 4.446 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.752 5.543 3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.264 6.799 4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.313 7.885 4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.689 7.544 5.718 1.00 0.00 H new ATOM 962 N HIS A 64 -13.018 4.821 6.336 1.00 0.00 N ATOM 963 CA HIS A 64 -13.057 3.813 7.390 1.00 0.00 C ATOM 964 C HIS A 64 -13.132 2.409 6.796 1.00 0.00 C ATOM 965 O HIS A 64 -12.352 1.528 7.159 1.00 0.00 O ATOM 966 CB HIS A 64 -14.252 4.055 8.313 1.00 0.00 C ATOM 967 CG HIS A 64 -14.301 3.125 9.485 1.00 0.00 C ATOM 968 ND1 HIS A 64 -13.195 2.816 10.248 1.00 0.00 N ATOM 969 CD2 HIS A 64 -15.333 2.435 10.025 1.00 0.00 C ATOM 970 CE1 HIS A 64 -13.543 1.976 11.206 1.00 0.00 C ATOM 971 NE2 HIS A 64 -14.836 1.729 11.093 1.00 0.00 N ATOM 0 H HIS A 64 -13.776 5.503 6.376 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.138 3.894 7.971 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -14.218 5.082 8.676 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -15.172 3.950 7.738 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -16.356 2.439 9.680 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.883 1.562 11.954 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -15.377 1.114 11.700 1.00 0.00 H new ATOM 980 N TYR A 65 -14.076 2.209 5.883 1.00 0.00 N ATOM 981 CA TYR A 65 -14.256 0.912 5.242 1.00 0.00 C ATOM 982 C TYR A 65 -13.123 0.628 4.260 1.00 0.00 C ATOM 983 O TYR A 65 -12.619 -0.491 4.184 1.00 0.00 O ATOM 984 CB TYR A 65 -15.601 0.861 4.516 1.00 0.00 C ATOM 985 CG TYR A 65 -15.840 -0.437 3.775 1.00 0.00 C ATOM 986 CD1 TYR A 65 -15.362 -0.620 2.484 1.00 0.00 C ATOM 987 CD2 TYR A 65 -16.544 -1.477 4.368 1.00 0.00 C ATOM 988 CE1 TYR A 65 -15.578 -1.803 1.803 1.00 0.00 C ATOM 989 CE2 TYR A 65 -16.764 -2.665 3.695 1.00 0.00 C ATOM 990 CZ TYR A 65 -16.280 -2.821 2.413 1.00 0.00 C ATOM 991 OH TYR A 65 -16.497 -4.001 1.740 1.00 0.00 O ATOM 0 H TYR A 65 -14.728 2.928 5.570 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.240 0.146 6.017 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.402 1.009 5.241 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.654 1.689 3.809 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -14.812 0.176 2.004 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -16.926 -1.356 5.371 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.199 -1.929 0.799 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -17.311 -3.466 4.170 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.006 -4.614 2.310 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.728 1.652 3.510 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.656 1.514 2.532 1.00 0.00 C ATOM 1003 C ASN A 66 -10.377 1.010 3.195 1.00 0.00 C ATOM 1004 O ASN A 66 -9.774 0.035 2.744 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.391 2.854 1.842 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.603 3.365 1.088 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -13.688 2.789 1.171 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -12.423 4.454 0.348 1.00 0.00 N ATOM 0 H ASN A 66 -13.135 2.586 3.561 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.970 0.784 1.786 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.093 3.591 2.588 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.556 2.745 1.150 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.202 4.846 -0.181 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.506 4.898 0.309 1.00 0.00 H new ATOM 1015 N LEU A 67 -9.969 1.678 4.267 1.00 0.00 N ATOM 1016 CA LEU A 67 -8.762 1.297 4.993 1.00 0.00 C ATOM 1017 C LEU A 67 -8.918 -0.083 5.622 1.00 0.00 C ATOM 1018 O LEU A 67 -8.292 -1.048 5.186 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.447 2.332 6.075 1.00 0.00 C ATOM 1020 CG LEU A 67 -8.219 3.764 5.590 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -8.641 4.762 6.657 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.760 3.971 5.210 1.00 0.00 C ATOM 0 H LEU A 67 -10.456 2.487 4.654 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.936 1.260 4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.268 2.339 6.792 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.557 2.006 6.613 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.832 3.930 4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.472 5.776 6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.699 4.629 6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.055 4.597 7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.615 4.995 4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.128 3.786 6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.490 3.280 4.412 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.759 -0.169 6.648 1.00 0.00 N ATOM 1035 CA GLN A 68 -9.998 -1.432 7.335 1.00 0.00 C ATOM 1036 C GLN A 68 -10.062 -2.588 6.343 1.00 0.00 C ATOM 1037 O GLN A 68 -9.544 -3.673 6.605 1.00 0.00 O ATOM 1038 CB GLN A 68 -11.297 -1.361 8.140 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.547 -1.557 7.295 1.00 0.00 C ATOM 1040 CD GLN A 68 -13.804 -1.082 7.995 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -13.799 -0.059 8.679 1.00 0.00 O ATOM 1042 NE2 GLN A 68 -14.891 -1.827 7.829 1.00 0.00 N ATOM 0 H GLN A 68 -10.286 0.621 7.021 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.166 -1.609 8.017 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.273 -2.121 8.921 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.353 -0.393 8.639 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.434 -1.018 6.355 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.651 -2.613 7.046 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.850 -2.668 7.253 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.767 -1.558 8.278 1.00 0.00 H new ATOM 1051 N ASN A 69 -10.701 -2.349 5.203 1.00 0.00 N ATOM 1052 CA ASN A 69 -10.834 -3.371 4.171 1.00 0.00 C ATOM 1053 C ASN A 69 -9.467 -3.899 3.750 1.00 0.00 C ATOM 1054 O ASN A 69 -9.202 -5.098 3.828 1.00 0.00 O ATOM 1055 CB ASN A 69 -11.571 -2.806 2.956 1.00 0.00 C ATOM 1056 CG ASN A 69 -11.685 -3.814 1.828 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -11.967 -4.989 2.059 1.00 0.00 O ATOM 1058 ND2 ASN A 69 -11.468 -3.355 0.602 1.00 0.00 N ATOM 0 H ASN A 69 -11.135 -1.456 4.970 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.411 -4.197 4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.569 -2.486 3.256 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.047 -1.920 2.596 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.532 -3.985 -0.197 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.237 -2.372 0.459 1.00 0.00 H new ATOM 1065 N ALA A 70 -8.601 -2.994 3.303 1.00 0.00 N ATOM 1066 CA ALA A 70 -7.259 -3.369 2.873 1.00 0.00 C ATOM 1067 C ALA A 70 -6.491 -4.051 3.999 1.00 0.00 C ATOM 1068 O ALA A 70 -5.941 -5.139 3.819 1.00 0.00 O ATOM 1069 CB ALA A 70 -6.503 -2.144 2.381 1.00 0.00 C ATOM 0 H ALA A 70 -8.805 -1.997 3.229 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.352 -4.080 2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.503 -2.437 2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.036 -1.701 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.428 -1.415 3.187 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.456 -3.407 5.160 1.00 0.00 N ATOM 1076 CA PHE A 71 -5.752 -3.951 6.316 1.00 0.00 C ATOM 1077 C PHE A 71 -6.170 -5.395 6.575 1.00 0.00 C ATOM 1078 O PHE A 71 -5.327 -6.278 6.727 1.00 0.00 O ATOM 1079 CB PHE A 71 -6.029 -3.098 7.556 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.704 -1.644 7.369 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -4.729 -1.250 6.466 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -6.372 -0.671 8.094 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -4.427 0.087 6.292 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -6.075 0.668 7.924 1.00 0.00 C ATOM 1085 CZ PHE A 71 -5.101 1.048 7.021 1.00 0.00 C ATOM 0 H PHE A 71 -6.907 -2.507 5.326 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.683 -3.932 6.102 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.081 -3.195 7.826 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.448 -3.487 8.392 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.200 -1.996 5.892 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.135 -0.962 8.801 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -3.664 0.381 5.586 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.604 1.416 8.496 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.867 2.094 6.885 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.478 -5.628 6.624 1.00 0.00 N ATOM 1096 CA ASN A 72 -8.007 -6.965 6.867 1.00 0.00 C ATOM 1097 C ASN A 72 -7.592 -7.924 5.755 1.00 0.00 C ATOM 1098 O ASN A 72 -6.968 -8.955 6.011 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.533 -6.920 6.973 1.00 0.00 C ATOM 1100 CG ASN A 72 -10.006 -6.087 8.149 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -9.415 -6.125 9.228 1.00 0.00 O ATOM 1102 ND2 ASN A 72 -11.078 -5.330 7.944 1.00 0.00 N ATOM 0 H ASN A 72 -8.190 -4.909 6.499 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.594 -7.327 7.808 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.947 -6.511 6.051 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.918 -7.935 7.072 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.443 -4.748 8.698 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.536 -5.330 7.032 1.00 0.00 H new ATOM 1109 N LEU A 73 -7.941 -7.578 4.522 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.605 -8.407 3.369 1.00 0.00 C ATOM 1111 C LEU A 73 -6.132 -8.803 3.395 1.00 0.00 C ATOM 1112 O LEU A 73 -5.797 -9.985 3.455 1.00 0.00 O ATOM 1113 CB LEU A 73 -7.923 -7.665 2.070 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.337 -7.851 1.520 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -9.633 -6.813 0.448 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -9.514 -9.257 0.967 1.00 0.00 C ATOM 0 H LEU A 73 -8.457 -6.728 4.294 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.208 -9.314 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.755 -6.600 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.213 -7.987 1.308 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.045 -7.712 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.644 -6.961 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.548 -5.814 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.919 -6.920 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.527 -9.371 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.797 -9.425 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.345 -9.984 1.761 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.256 -7.804 3.351 1.00 0.00 N ATOM 1129 CA ALA A 74 -3.819 -8.048 3.374 1.00 0.00 C ATOM 1130 C ALA A 74 -3.423 -8.889 4.582 1.00 0.00 C ATOM 1131 O ALA A 74 -2.429 -9.613 4.547 1.00 0.00 O ATOM 1132 CB ALA A 74 -3.060 -6.729 3.376 1.00 0.00 C ATOM 0 H ALA A 74 -5.516 -6.819 3.299 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.556 -8.605 2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.988 -6.926 3.393 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.311 -6.164 2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.337 -6.151 4.258 1.00 0.00 H new ATOM 1138 N GLU A 75 -4.208 -8.787 5.651 1.00 0.00 N ATOM 1139 CA GLU A 75 -3.937 -9.539 6.871 1.00 0.00 C ATOM 1140 C GLU A 75 -4.458 -10.969 6.756 1.00 0.00 C ATOM 1141 O GLU A 75 -3.998 -11.868 7.460 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.578 -8.846 8.075 1.00 0.00 C ATOM 1143 CG GLU A 75 -4.219 -9.485 9.407 1.00 0.00 C ATOM 1144 CD GLU A 75 -5.302 -9.304 10.452 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -6.494 -9.335 10.081 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -4.958 -9.130 11.640 1.00 0.00 O ATOM 0 H GLU A 75 -5.035 -8.192 5.697 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.857 -9.575 7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.270 -7.800 8.088 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.661 -8.858 7.956 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.038 -10.549 9.258 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.289 -9.052 9.775 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.421 -11.171 5.864 1.00 0.00 N ATOM 1154 CA LYS A 76 -6.005 -12.491 5.653 1.00 0.00 C ATOM 1155 C LYS A 76 -5.468 -13.127 4.375 1.00 0.00 C ATOM 1156 O LYS A 76 -4.766 -14.135 4.421 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.531 -12.390 5.584 1.00 0.00 C ATOM 1158 CG LYS A 76 -8.242 -13.678 5.962 1.00 0.00 C ATOM 1159 CD LYS A 76 -9.701 -13.428 6.308 1.00 0.00 C ATOM 1160 CE LYS A 76 -10.548 -13.251 5.058 1.00 0.00 C ATOM 1161 NZ LYS A 76 -10.854 -14.554 4.406 1.00 0.00 N ATOM 0 H LYS A 76 -5.814 -10.437 5.275 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.726 -13.123 6.496 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.865 -11.592 6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.823 -12.107 4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.179 -14.386 5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.739 -14.137 6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.085 -14.263 6.894 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.781 -12.538 6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.479 -12.748 5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.024 -12.606 4.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.489 -14.397 3.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.971 -14.992 4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.316 -15.185 5.091 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.803 -12.528 3.236 1.00 0.00 N ATOM 1176 CA GLU A 77 -5.354 -13.038 1.946 1.00 0.00 C ATOM 1177 C GLU A 77 -3.834 -13.171 1.914 1.00 0.00 C ATOM 1178 O GLU A 77 -3.297 -14.279 1.878 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.819 -12.114 0.818 1.00 0.00 C ATOM 1180 CG GLU A 77 -7.327 -11.922 0.772 1.00 0.00 C ATOM 1181 CD GLU A 77 -8.059 -13.170 0.320 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -7.423 -14.244 0.264 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -9.268 -13.074 0.022 1.00 0.00 O ATOM 0 H GLU A 77 -6.383 -11.691 3.181 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.792 -14.026 1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.341 -11.142 0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.484 -12.521 -0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.683 -11.634 1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.565 -11.101 0.096 1.00 0.00 H new ATOM 1190 N LEU A 78 -3.145 -12.035 1.926 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.687 -12.024 1.898 1.00 0.00 C ATOM 1192 C LEU A 78 -1.113 -12.678 3.150 1.00 0.00 C ATOM 1193 O LEU A 78 -0.149 -13.438 3.080 1.00 0.00 O ATOM 1194 CB LEU A 78 -1.171 -10.589 1.774 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.864 -9.714 0.731 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -1.494 -8.252 0.928 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -1.504 -10.172 -0.675 1.00 0.00 C ATOM 0 H LEU A 78 -3.573 -11.110 1.955 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.360 -12.597 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.266 -10.105 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.107 -10.626 1.539 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.942 -9.815 0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.997 -7.645 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.804 -7.929 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.415 -8.133 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.007 -9.537 -1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.425 -10.102 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.822 -11.205 -0.814 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.715 -12.377 4.297 1.00 0.00 N ATOM 1210 CA GLY A 79 -1.251 -12.945 5.549 1.00 0.00 C ATOM 1211 C GLY A 79 -0.231 -12.064 6.244 1.00 0.00 C ATOM 1212 O GLY A 79 0.793 -12.550 6.725 1.00 0.00 O ATOM 0 H GLY A 79 -2.515 -11.750 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.103 -13.101 6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.811 -13.924 5.359 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.509 -10.766 6.293 1.00 0.00 N ATOM 1217 CA LEU A 80 0.393 -9.815 6.931 1.00 0.00 C ATOM 1218 C LEU A 80 -0.190 -9.309 8.247 1.00 0.00 C ATOM 1219 O LEU A 80 -1.274 -9.725 8.660 1.00 0.00 O ATOM 1220 CB LEU A 80 0.668 -8.636 5.996 1.00 0.00 C ATOM 1221 CG LEU A 80 1.405 -8.967 4.697 1.00 0.00 C ATOM 1222 CD1 LEU A 80 1.096 -7.928 3.630 1.00 0.00 C ATOM 1223 CD2 LEU A 80 2.903 -9.055 4.942 1.00 0.00 C ATOM 0 H LEU A 80 -1.352 -10.348 5.898 1.00 0.00 H new ATOM 0 HA LEU A 80 1.330 -10.329 7.144 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.284 -8.170 5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.250 -7.894 6.542 1.00 0.00 H new ATOM 0 HG LEU A 80 1.059 -9.937 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.629 -8.179 2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.024 -7.915 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.414 -6.945 3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.411 -9.291 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.266 -8.100 5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.107 -9.837 5.673 1.00 0.00 H new ATOM 1235 N THR A 81 0.535 -8.408 8.902 1.00 0.00 N ATOM 1236 CA THR A 81 0.090 -7.845 10.171 1.00 0.00 C ATOM 1237 C THR A 81 -0.135 -6.341 10.057 1.00 0.00 C ATOM 1238 O THR A 81 0.810 -5.574 9.871 1.00 0.00 O ATOM 1239 CB THR A 81 1.107 -8.116 11.295 1.00 0.00 C ATOM 1240 OG1 THR A 81 1.335 -9.525 11.420 1.00 0.00 O ATOM 1241 CG2 THR A 81 0.611 -7.558 12.621 1.00 0.00 C ATOM 0 H THR A 81 1.433 -8.052 8.575 1.00 0.00 H new ATOM 0 HA THR A 81 -0.852 -8.333 10.419 1.00 0.00 H new ATOM 0 HB THR A 81 2.042 -7.618 11.037 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.984 -9.689 12.136 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.346 -7.762 13.399 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.466 -6.481 12.531 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.335 -8.031 12.883 1.00 0.00 H new ATOM 1249 N LYS A 82 -1.392 -5.925 10.168 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.741 -4.512 10.080 1.00 0.00 C ATOM 1251 C LYS A 82 -1.110 -3.723 11.222 1.00 0.00 C ATOM 1252 O LYS A 82 -1.375 -3.988 12.396 1.00 0.00 O ATOM 1253 CB LYS A 82 -3.261 -4.338 10.105 1.00 0.00 C ATOM 1254 CG LYS A 82 -3.855 -4.384 11.502 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.374 -4.393 11.463 1.00 0.00 C ATOM 1256 CE LYS A 82 -5.921 -5.810 11.369 1.00 0.00 C ATOM 1257 NZ LYS A 82 -6.020 -6.275 9.958 1.00 0.00 N ATOM 0 H LYS A 82 -2.186 -6.547 10.319 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.353 -4.126 9.137 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.517 -3.385 9.642 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.718 -5.120 9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.498 -5.274 12.021 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.510 -3.522 12.073 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.765 -3.910 12.358 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.721 -3.811 10.609 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.275 -6.486 11.930 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.906 -5.851 11.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.805 -6.951 9.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.193 -5.460 9.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.131 -6.739 9.682 1.00 0.00 H new ATOM 1271 N LEU A 83 -0.275 -2.751 10.873 1.00 0.00 N ATOM 1272 CA LEU A 83 0.394 -1.921 11.869 1.00 0.00 C ATOM 1273 C LEU A 83 -0.354 -0.607 12.073 1.00 0.00 C ATOM 1274 O LEU A 83 -0.390 -0.066 13.179 1.00 0.00 O ATOM 1275 CB LEU A 83 1.836 -1.639 11.443 1.00 0.00 C ATOM 1276 CG LEU A 83 2.555 -2.775 10.715 1.00 0.00 C ATOM 1277 CD1 LEU A 83 3.648 -2.224 9.812 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.134 -3.767 11.713 1.00 0.00 C ATOM 0 H LEU A 83 -0.045 -2.518 9.907 1.00 0.00 H new ATOM 0 HA LEU A 83 0.401 -2.465 12.813 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.838 -0.761 10.796 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.412 -1.381 12.332 1.00 0.00 H new ATOM 0 HG LEU A 83 1.829 -3.299 10.093 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.148 -3.047 9.302 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.207 -1.555 9.073 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.373 -1.674 10.412 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.642 -4.568 11.176 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.846 -3.257 12.362 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.330 -4.187 12.317 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.951 -0.099 11.001 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.700 1.151 11.062 1.00 0.00 C ATOM 1292 C LEU A 84 -3.169 0.890 11.378 1.00 0.00 C ATOM 1293 O LEU A 84 -3.596 -0.259 11.491 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.579 1.907 9.738 1.00 0.00 C ATOM 1295 CG LEU A 84 -0.169 2.349 9.344 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -0.102 2.660 7.857 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.260 3.557 10.164 1.00 0.00 C ATOM 0 H LEU A 84 -0.931 -0.534 10.078 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.277 1.760 11.861 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.975 1.274 8.944 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.215 2.791 9.788 1.00 0.00 H new ATOM 0 HG LEU A 84 0.519 1.530 9.553 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.909 2.973 7.596 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.365 1.769 7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.802 3.461 7.621 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.266 3.858 9.870 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.431 4.381 9.987 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.253 3.299 11.223 1.00 0.00 H new ATOM 1309 N ASP A 85 -3.939 1.964 11.518 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.361 1.852 11.818 1.00 0.00 C ATOM 1311 C ASP A 85 -6.190 2.686 10.846 1.00 0.00 C ATOM 1312 O ASP A 85 -5.766 3.745 10.382 1.00 0.00 O ATOM 1313 CB ASP A 85 -5.638 2.295 13.256 1.00 0.00 C ATOM 1314 CG ASP A 85 -5.521 1.154 14.247 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -5.939 0.028 13.907 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -5.011 1.388 15.363 1.00 0.00 O ATOM 0 H ASP A 85 -3.601 2.922 11.428 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.649 0.806 11.707 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.938 3.084 13.531 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.639 2.722 13.315 1.00 0.00 H new ATOM 1321 N PRO A 86 -7.398 2.200 10.530 1.00 0.00 N ATOM 1322 CA PRO A 86 -8.311 2.885 9.609 1.00 0.00 C ATOM 1323 C PRO A 86 -8.876 4.171 10.204 1.00 0.00 C ATOM 1324 O PRO A 86 -9.646 4.878 9.555 1.00 0.00 O ATOM 1325 CB PRO A 86 -9.428 1.862 9.390 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.407 1.010 10.612 1.00 0.00 C ATOM 1327 CD PRO A 86 -7.968 0.944 11.045 1.00 0.00 C ATOM 0 HA PRO A 86 -7.810 3.192 8.691 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.394 2.351 9.265 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -9.252 1.270 8.492 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.032 1.437 11.397 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.797 0.014 10.401 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.877 0.877 12.129 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.463 0.073 10.628 1.00 0.00 H new ATOM 1335 N GLU A 87 -8.487 4.467 11.440 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.957 5.668 12.120 1.00 0.00 C ATOM 1337 C GLU A 87 -7.795 6.611 12.422 1.00 0.00 C ATOM 1338 O GLU A 87 -7.991 7.810 12.624 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.677 5.298 13.419 1.00 0.00 C ATOM 1340 CG GLU A 87 -11.069 4.728 13.201 1.00 0.00 C ATOM 1341 CD GLU A 87 -11.999 5.001 14.368 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -11.566 4.828 15.525 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -13.160 5.388 14.121 1.00 0.00 O ATOM 0 H GLU A 87 -7.849 3.893 11.990 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.656 6.179 11.458 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.076 4.569 13.963 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.751 6.184 14.049 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.495 5.156 12.294 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.997 3.652 13.043 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.586 6.061 12.451 1.00 0.00 N ATOM 1351 CA ASP A 88 -5.392 6.852 12.727 1.00 0.00 C ATOM 1352 C ASP A 88 -4.804 7.414 11.437 1.00 0.00 C ATOM 1353 O ASP A 88 -4.323 8.548 11.404 1.00 0.00 O ATOM 1354 CB ASP A 88 -4.348 6.002 13.451 1.00 0.00 C ATOM 1355 CG ASP A 88 -4.503 6.054 14.958 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -5.626 5.815 15.448 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -3.500 6.333 15.648 1.00 0.00 O ATOM 0 H ASP A 88 -6.407 5.070 12.287 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.678 7.686 13.368 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.430 4.968 13.116 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.351 6.347 13.179 1.00 0.00 H new ATOM 1362 N VAL A 89 -4.843 6.615 10.376 1.00 0.00 N ATOM 1363 CA VAL A 89 -4.314 7.033 9.084 1.00 0.00 C ATOM 1364 C VAL A 89 -5.136 8.175 8.496 1.00 0.00 C ATOM 1365 O VAL A 89 -4.588 9.174 8.034 1.00 0.00 O ATOM 1366 CB VAL A 89 -4.290 5.863 8.082 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -3.928 6.359 6.690 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -3.319 4.788 8.543 1.00 0.00 C ATOM 0 H VAL A 89 -5.236 5.674 10.386 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.294 7.375 9.256 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.287 5.425 8.037 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.916 5.519 5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.666 7.091 6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.942 6.824 6.714 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.315 3.969 7.824 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.317 5.211 8.618 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.628 4.412 9.518 1.00 0.00 H new ATOM 1378 N ASN A 90 -6.456 8.019 8.518 1.00 0.00 N ATOM 1379 CA ASN A 90 -7.354 9.037 7.987 1.00 0.00 C ATOM 1380 C ASN A 90 -7.267 10.321 8.807 1.00 0.00 C ATOM 1381 O ASN A 90 -8.050 10.533 9.733 1.00 0.00 O ATOM 1382 CB ASN A 90 -8.795 8.522 7.978 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.159 7.801 9.262 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -8.299 7.225 9.929 1.00 0.00 O ATOM 1385 ND2 ASN A 90 -10.439 7.830 9.614 1.00 0.00 N ATOM 0 H ASN A 90 -6.927 7.198 8.898 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.047 9.258 6.965 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -9.476 9.360 7.829 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.931 7.846 7.134 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -10.744 7.363 10.468 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -11.117 8.320 9.031 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.310 11.175 8.459 1.00 0.00 N ATOM 1393 CA VAL A 91 -6.121 12.439 9.161 1.00 0.00 C ATOM 1394 C VAL A 91 -5.480 13.482 8.252 1.00 0.00 C ATOM 1395 O VAL A 91 -4.833 13.143 7.260 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.245 12.258 10.414 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -3.831 11.856 10.025 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -5.235 13.534 11.244 1.00 0.00 C ATOM 0 H VAL A 91 -5.653 11.015 7.695 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.109 12.784 9.464 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.670 11.458 11.021 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.227 11.733 10.924 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.858 10.915 9.475 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.392 12.631 9.397 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.611 13.389 12.126 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.835 14.353 10.647 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.252 13.774 11.554 1.00 0.00 H new ATOM 1408 N ASP A 92 -5.664 14.751 8.597 1.00 0.00 N ATOM 1409 CA ASP A 92 -5.102 15.845 7.812 1.00 0.00 C ATOM 1410 C ASP A 92 -3.624 15.603 7.522 1.00 0.00 C ATOM 1411 O ASP A 92 -3.197 15.631 6.368 1.00 0.00 O ATOM 1412 CB ASP A 92 -5.279 17.173 8.551 1.00 0.00 C ATOM 1413 CG ASP A 92 -6.720 17.644 8.559 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -7.497 17.161 9.411 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -7.071 18.495 7.717 1.00 0.00 O ATOM 0 H ASP A 92 -6.197 15.048 9.414 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.636 15.891 6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.930 17.063 9.578 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.654 17.933 8.081 1.00 0.00 H new ATOM 1420 N GLN A 93 -2.851 15.367 8.576 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.421 15.122 8.434 1.00 0.00 C ATOM 1422 C GLN A 93 -0.983 13.936 9.288 1.00 0.00 C ATOM 1423 O GLN A 93 -0.540 14.090 10.425 1.00 0.00 O ATOM 1424 CB GLN A 93 -0.626 16.368 8.826 1.00 0.00 C ATOM 1425 CG GLN A 93 -0.853 17.551 7.899 1.00 0.00 C ATOM 1426 CD GLN A 93 -0.139 18.804 8.366 1.00 0.00 C ATOM 1427 OE1 GLN A 93 0.929 18.735 8.974 1.00 0.00 O ATOM 1428 NE2 GLN A 93 -0.728 19.961 8.085 1.00 0.00 N ATOM 0 H GLN A 93 -3.190 15.340 9.537 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.222 14.887 7.388 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.896 16.656 9.842 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.436 16.123 8.836 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.509 17.294 6.897 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -1.922 17.752 7.828 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.613 19.973 7.579 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.295 20.838 8.375 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.112 12.723 8.728 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.735 11.488 9.421 1.00 0.00 C ATOM 1439 C PRO A 94 0.774 11.357 9.594 1.00 0.00 C ATOM 1440 O PRO A 94 1.540 12.183 9.095 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.265 10.388 8.498 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.310 11.015 7.148 1.00 0.00 C ATOM 1443 CD PRO A 94 -1.633 12.466 7.375 1.00 0.00 C ATOM 0 HA PRO A 94 -1.141 11.448 10.432 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.612 9.515 8.507 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.253 10.051 8.811 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.355 10.904 6.634 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.066 10.540 6.522 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.155 13.105 6.632 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.705 12.653 7.315 1.00 0.00 H new ATOM 1451 N ASP A 95 1.195 10.315 10.303 1.00 0.00 N ATOM 1452 CA ASP A 95 2.614 10.075 10.540 1.00 0.00 C ATOM 1453 C ASP A 95 3.229 9.277 9.394 1.00 0.00 C ATOM 1454 O ASP A 95 3.301 8.050 9.448 1.00 0.00 O ATOM 1455 CB ASP A 95 2.814 9.330 11.860 1.00 0.00 C ATOM 1456 CG ASP A 95 2.682 10.242 13.065 1.00 0.00 C ATOM 1457 OD1 ASP A 95 3.182 11.384 13.003 1.00 0.00 O ATOM 1458 OD2 ASP A 95 2.076 9.814 14.069 1.00 0.00 O ATOM 0 H ASP A 95 0.574 9.623 10.723 1.00 0.00 H new ATOM 0 HA ASP A 95 3.116 11.041 10.597 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.082 8.526 11.935 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.800 8.865 11.866 1.00 0.00 H new ATOM 1463 N GLU A 96 3.671 9.984 8.358 1.00 0.00 N ATOM 1464 CA GLU A 96 4.279 9.341 7.199 1.00 0.00 C ATOM 1465 C GLU A 96 5.288 8.281 7.631 1.00 0.00 C ATOM 1466 O GLU A 96 5.472 7.269 6.954 1.00 0.00 O ATOM 1467 CB GLU A 96 4.963 10.382 6.311 1.00 0.00 C ATOM 1468 CG GLU A 96 5.682 11.469 7.092 1.00 0.00 C ATOM 1469 CD GLU A 96 6.492 12.390 6.199 1.00 0.00 C ATOM 1470 OE1 GLU A 96 6.814 11.983 5.063 1.00 0.00 O ATOM 1471 OE2 GLU A 96 6.801 13.518 6.637 1.00 0.00 O ATOM 0 H GLU A 96 3.619 11.001 8.298 1.00 0.00 H new ATOM 0 HA GLU A 96 3.488 8.853 6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.679 9.879 5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.216 10.844 5.665 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.951 12.057 7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.342 11.007 7.826 1.00 0.00 H new ATOM 1478 N LYS A 97 5.940 8.520 8.764 1.00 0.00 N ATOM 1479 CA LYS A 97 6.929 7.588 9.289 1.00 0.00 C ATOM 1480 C LYS A 97 6.282 6.257 9.658 1.00 0.00 C ATOM 1481 O LYS A 97 6.829 5.191 9.376 1.00 0.00 O ATOM 1482 CB LYS A 97 7.625 8.187 10.514 1.00 0.00 C ATOM 1483 CG LYS A 97 8.903 8.937 10.181 1.00 0.00 C ATOM 1484 CD LYS A 97 8.614 10.226 9.431 1.00 0.00 C ATOM 1485 CE LYS A 97 8.642 10.011 7.926 1.00 0.00 C ATOM 1486 NZ LYS A 97 10.010 9.681 7.437 1.00 0.00 N ATOM 0 H LYS A 97 5.800 9.353 9.336 1.00 0.00 H new ATOM 0 HA LYS A 97 7.670 7.407 8.510 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.936 8.865 11.017 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.856 7.387 11.218 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.443 9.163 11.100 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.552 8.302 9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.638 10.610 9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.350 10.981 9.706 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.958 9.205 7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.284 10.910 7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.085 9.920 6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.712 10.228 7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.189 8.665 7.567 1.00 0.00 H new ATOM 1500 N SER A 98 5.115 6.328 10.289 1.00 0.00 N ATOM 1501 CA SER A 98 4.393 5.128 10.699 1.00 0.00 C ATOM 1502 C SER A 98 3.721 4.464 9.502 1.00 0.00 C ATOM 1503 O SER A 98 3.185 3.360 9.612 1.00 0.00 O ATOM 1504 CB SER A 98 3.346 5.474 11.760 1.00 0.00 C ATOM 1505 OG SER A 98 3.950 5.672 13.026 1.00 0.00 O ATOM 0 H SER A 98 4.649 7.203 10.528 1.00 0.00 H new ATOM 0 HA SER A 98 5.112 4.428 11.124 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.809 6.375 11.465 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.611 4.672 11.826 1.00 0.00 H new ATOM 0 HG SER A 98 3.261 5.894 13.686 1.00 0.00 H new ATOM 1511 N ILE A 99 3.754 5.142 8.360 1.00 0.00 N ATOM 1512 CA ILE A 99 3.148 4.617 7.142 1.00 0.00 C ATOM 1513 C ILE A 99 4.196 3.966 6.245 1.00 0.00 C ATOM 1514 O ILE A 99 4.028 2.829 5.804 1.00 0.00 O ATOM 1515 CB ILE A 99 2.427 5.724 6.350 1.00 0.00 C ATOM 1516 CG1 ILE A 99 1.287 6.315 7.182 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.900 5.174 5.033 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.710 7.586 6.599 1.00 0.00 C ATOM 0 H ILE A 99 4.194 6.056 8.252 1.00 0.00 H new ATOM 0 HA ILE A 99 2.419 3.868 7.449 1.00 0.00 H new ATOM 0 HB ILE A 99 3.140 6.518 6.130 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.493 5.574 7.274 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.651 6.519 8.189 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.393 5.968 4.484 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.731 4.795 4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.198 4.364 5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.093 7.949 7.241 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.491 8.343 6.532 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.315 7.383 5.603 1.00 0.00 H new ATOM 1530 N ILE A 100 5.275 4.694 5.980 1.00 0.00 N ATOM 1531 CA ILE A 100 6.351 4.185 5.138 1.00 0.00 C ATOM 1532 C ILE A 100 6.751 2.772 5.550 1.00 0.00 C ATOM 1533 O ILE A 100 7.123 1.952 4.711 1.00 0.00 O ATOM 1534 CB ILE A 100 7.592 5.095 5.199 1.00 0.00 C ATOM 1535 CG1 ILE A 100 7.258 6.486 4.655 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.741 4.477 4.418 1.00 0.00 C ATOM 1537 CD1 ILE A 100 8.059 7.596 5.301 1.00 0.00 C ATOM 0 H ILE A 100 5.428 5.638 6.336 1.00 0.00 H new ATOM 0 HA ILE A 100 5.971 4.169 4.117 1.00 0.00 H new ATOM 0 HB ILE A 100 7.899 5.196 6.240 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.436 6.499 3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.196 6.681 4.805 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.611 5.132 4.471 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.991 3.506 4.846 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.446 4.349 3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.770 8.553 4.867 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.863 7.610 6.373 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.122 7.425 5.129 1.00 0.00 H new ATOM 1549 N THR A 101 6.667 2.494 6.846 1.00 0.00 N ATOM 1550 CA THR A 101 7.019 1.179 7.370 1.00 0.00 C ATOM 1551 C THR A 101 5.980 0.136 6.978 1.00 0.00 C ATOM 1552 O THR A 101 6.318 -1.010 6.680 1.00 0.00 O ATOM 1553 CB THR A 101 7.153 1.203 8.905 1.00 0.00 C ATOM 1554 OG1 THR A 101 7.894 2.358 9.313 1.00 0.00 O ATOM 1555 CG2 THR A 101 7.845 -0.054 9.407 1.00 0.00 C ATOM 0 H THR A 101 6.358 3.161 7.553 1.00 0.00 H new ATOM 0 HA THR A 101 7.981 0.912 6.933 1.00 0.00 H new ATOM 0 HB THR A 101 6.152 1.243 9.335 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.304 3.140 9.318 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.928 -0.014 10.493 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.263 -0.929 9.119 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.841 -0.121 8.969 1.00 0.00 H new ATOM 1563 N TYR A 102 4.714 0.538 6.980 1.00 0.00 N ATOM 1564 CA TYR A 102 3.625 -0.364 6.626 1.00 0.00 C ATOM 1565 C TYR A 102 3.667 -0.712 5.141 1.00 0.00 C ATOM 1566 O TYR A 102 3.751 -1.882 4.768 1.00 0.00 O ATOM 1567 CB TYR A 102 2.276 0.269 6.975 1.00 0.00 C ATOM 1568 CG TYR A 102 1.093 -0.626 6.680 1.00 0.00 C ATOM 1569 CD1 TYR A 102 0.764 -0.967 5.375 1.00 0.00 C ATOM 1570 CD2 TYR A 102 0.305 -1.129 7.709 1.00 0.00 C ATOM 1571 CE1 TYR A 102 -0.316 -1.784 5.101 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.776 -1.946 7.444 1.00 0.00 C ATOM 1573 CZ TYR A 102 -1.084 -2.271 6.138 1.00 0.00 C ATOM 1574 OH TYR A 102 -2.159 -3.085 5.870 1.00 0.00 O ATOM 0 H TYR A 102 4.417 1.483 7.223 1.00 0.00 H new ATOM 0 HA TYR A 102 3.747 -1.283 7.200 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.269 0.529 8.033 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.165 1.199 6.417 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.362 -0.587 4.560 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.542 -0.877 8.732 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.558 -2.040 4.080 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.378 -2.329 8.255 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.246 -3.204 4.901 1.00 0.00 H new ATOM 1584 N VAL A 103 3.606 0.313 4.297 1.00 0.00 N ATOM 1585 CA VAL A 103 3.639 0.117 2.854 1.00 0.00 C ATOM 1586 C VAL A 103 4.866 -0.686 2.435 1.00 0.00 C ATOM 1587 O VAL A 103 4.841 -1.399 1.433 1.00 0.00 O ATOM 1588 CB VAL A 103 3.641 1.464 2.104 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.738 2.371 2.640 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.804 1.240 0.608 1.00 0.00 C ATOM 0 H VAL A 103 3.533 1.288 4.589 1.00 0.00 H new ATOM 0 HA VAL A 103 2.738 -0.437 2.590 1.00 0.00 H new ATOM 0 HB VAL A 103 2.683 1.956 2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.725 3.317 2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.570 2.557 3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.707 1.890 2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.803 2.201 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.747 0.727 0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.979 0.631 0.239 1.00 0.00 H new ATOM 1600 N ALA A 104 5.938 -0.565 3.211 1.00 0.00 N ATOM 1601 CA ALA A 104 7.174 -1.281 2.923 1.00 0.00 C ATOM 1602 C ALA A 104 6.926 -2.781 2.813 1.00 0.00 C ATOM 1603 O ALA A 104 7.518 -3.459 1.971 1.00 0.00 O ATOM 1604 CB ALA A 104 8.213 -0.993 3.996 1.00 0.00 C ATOM 0 H ALA A 104 5.975 0.022 4.044 1.00 0.00 H new ATOM 0 HA ALA A 104 7.553 -0.931 1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.131 -1.534 3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.420 0.077 4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.833 -1.315 4.966 1.00 0.00 H new ATOM 1610 N THR A 105 6.047 -3.296 3.666 1.00 0.00 N ATOM 1611 CA THR A 105 5.722 -4.717 3.666 1.00 0.00 C ATOM 1612 C THR A 105 5.157 -5.151 2.318 1.00 0.00 C ATOM 1613 O THR A 105 5.502 -6.214 1.802 1.00 0.00 O ATOM 1614 CB THR A 105 4.705 -5.061 4.771 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.448 -4.434 4.493 1.00 0.00 O ATOM 1616 CG2 THR A 105 5.213 -4.610 6.132 1.00 0.00 C ATOM 0 H THR A 105 5.547 -2.750 4.367 1.00 0.00 H new ATOM 0 HA THR A 105 6.651 -5.254 3.858 1.00 0.00 H new ATOM 0 HB THR A 105 4.574 -6.143 4.790 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.453 -3.520 4.846 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.479 -4.863 6.897 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.155 -5.112 6.353 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.370 -3.531 6.123 1.00 0.00 H new ATOM 1624 N TYR A 106 4.287 -4.321 1.752 1.00 0.00 N ATOM 1625 CA TYR A 106 3.672 -4.622 0.465 1.00 0.00 C ATOM 1626 C TYR A 106 4.735 -4.879 -0.600 1.00 0.00 C ATOM 1627 O TYR A 106 4.641 -5.837 -1.367 1.00 0.00 O ATOM 1628 CB TYR A 106 2.766 -3.469 0.027 1.00 0.00 C ATOM 1629 CG TYR A 106 1.437 -3.438 0.749 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.285 -4.037 1.993 1.00 0.00 C ATOM 1631 CD2 TYR A 106 0.333 -2.809 0.186 1.00 0.00 C ATOM 1632 CE1 TYR A 106 0.074 -4.011 2.657 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -0.882 -2.777 0.842 1.00 0.00 C ATOM 1634 CZ TYR A 106 -1.007 -3.380 2.077 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.216 -3.350 2.732 1.00 0.00 O ATOM 0 H TYR A 106 3.992 -3.436 2.164 1.00 0.00 H new ATOM 0 HA TYR A 106 3.072 -5.525 0.580 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.285 -2.525 0.196 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.586 -3.546 -1.045 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.129 -4.532 2.450 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.427 -2.337 -0.781 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.026 -4.482 3.624 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.730 -2.283 0.391 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.871 -2.866 2.187 1.00 0.00 H new ATOM 1645 N TYR A 107 5.745 -4.017 -0.638 1.00 0.00 N ATOM 1646 CA TYR A 107 6.825 -4.148 -1.608 1.00 0.00 C ATOM 1647 C TYR A 107 7.667 -5.388 -1.321 1.00 0.00 C ATOM 1648 O TYR A 107 7.826 -6.258 -2.179 1.00 0.00 O ATOM 1649 CB TYR A 107 7.711 -2.902 -1.589 1.00 0.00 C ATOM 1650 CG TYR A 107 9.041 -3.092 -2.281 1.00 0.00 C ATOM 1651 CD1 TYR A 107 9.140 -3.034 -3.666 1.00 0.00 C ATOM 1652 CD2 TYR A 107 10.199 -3.329 -1.551 1.00 0.00 C ATOM 1653 CE1 TYR A 107 10.353 -3.209 -4.304 1.00 0.00 C ATOM 1654 CE2 TYR A 107 11.416 -3.504 -2.180 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.489 -3.443 -3.556 1.00 0.00 C ATOM 1656 OH TYR A 107 12.699 -3.616 -4.187 1.00 0.00 O ATOM 0 H TYR A 107 5.838 -3.220 -0.008 1.00 0.00 H new ATOM 0 HA TYR A 107 6.379 -4.253 -2.597 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.177 -2.080 -2.066 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.888 -2.609 -0.554 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.253 -2.849 -4.254 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.147 -3.377 -0.473 1.00 0.00 H new ATOM 0 HE1 TYR A 107 10.412 -3.163 -5.381 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.306 -3.688 -1.597 1.00 0.00 H new ATOM 0 HH TYR A 107 13.398 -3.770 -3.518 1.00 0.00 H new ATOM 1666 N HIS A 108 8.205 -5.463 -0.108 1.00 0.00 N ATOM 1667 CA HIS A 108 9.030 -6.596 0.295 1.00 0.00 C ATOM 1668 C HIS A 108 8.299 -7.912 0.054 1.00 0.00 C ATOM 1669 O HIS A 108 8.712 -8.721 -0.777 1.00 0.00 O ATOM 1670 CB HIS A 108 9.416 -6.474 1.769 1.00 0.00 C ATOM 1671 CG HIS A 108 10.599 -5.588 2.008 1.00 0.00 C ATOM 1672 ND1 HIS A 108 11.747 -5.642 1.245 1.00 0.00 N ATOM 1673 CD2 HIS A 108 10.808 -4.619 2.930 1.00 0.00 C ATOM 1674 CE1 HIS A 108 12.610 -4.746 1.689 1.00 0.00 C ATOM 1675 NE2 HIS A 108 12.064 -4.112 2.711 1.00 0.00 N ATOM 0 H HIS A 108 8.084 -4.752 0.613 1.00 0.00 H new ATOM 0 HA HIS A 108 9.936 -6.589 -0.311 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.564 -6.087 2.328 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.631 -7.467 2.163 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.115 -4.304 3.696 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.595 -4.563 1.285 1.00 0.00 H new ATOM 0 HE2 HIS A 108 12.505 -3.366 3.250 1.00 0.00 H new ATOM 1684 N TYR A 109 7.211 -8.122 0.787 1.00 0.00 N ATOM 1685 CA TYR A 109 6.423 -9.342 0.656 1.00 0.00 C ATOM 1686 C TYR A 109 6.348 -9.788 -0.801 1.00 0.00 C ATOM 1687 O TYR A 109 6.877 -10.837 -1.170 1.00 0.00 O ATOM 1688 CB TYR A 109 5.013 -9.126 1.208 1.00 0.00 C ATOM 1689 CG TYR A 109 4.058 -10.254 0.888 1.00 0.00 C ATOM 1690 CD1 TYR A 109 3.953 -11.360 1.722 1.00 0.00 C ATOM 1691 CD2 TYR A 109 3.260 -10.214 -0.249 1.00 0.00 C ATOM 1692 CE1 TYR A 109 3.083 -12.393 1.434 1.00 0.00 C ATOM 1693 CE2 TYR A 109 2.386 -11.241 -0.545 1.00 0.00 C ATOM 1694 CZ TYR A 109 2.301 -12.329 0.299 1.00 0.00 C ATOM 1695 OH TYR A 109 1.432 -13.356 0.008 1.00 0.00 O ATOM 0 H TYR A 109 6.854 -7.462 1.479 1.00 0.00 H new ATOM 0 HA TYR A 109 6.915 -10.125 1.232 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.070 -9.005 2.290 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.612 -8.196 0.804 1.00 0.00 H new ATOM 0 HD1 TYR A 109 4.563 -11.413 2.612 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.325 -9.365 -0.913 1.00 0.00 H new ATOM 0 HE1 TYR A 109 3.015 -13.246 2.093 1.00 0.00 H new ATOM 0 HE2 TYR A 109 1.772 -11.193 -1.432 1.00 0.00 H new ATOM 0 HH TYR A 109 0.955 -13.155 -0.824 1.00 0.00 H new ATOM 1705 N PHE A 110 5.688 -8.983 -1.627 1.00 0.00 N ATOM 1706 CA PHE A 110 5.543 -9.293 -3.044 1.00 0.00 C ATOM 1707 C PHE A 110 6.901 -9.555 -3.686 1.00 0.00 C ATOM 1708 O PHE A 110 7.044 -10.445 -4.524 1.00 0.00 O ATOM 1709 CB PHE A 110 4.836 -8.146 -3.769 1.00 0.00 C ATOM 1710 CG PHE A 110 3.340 -8.281 -3.790 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.741 -9.401 -4.342 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.534 -7.288 -3.259 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.365 -9.528 -4.364 1.00 0.00 C ATOM 1714 CE2 PHE A 110 1.158 -7.409 -3.277 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.572 -8.531 -3.830 1.00 0.00 C ATOM 0 H PHE A 110 5.245 -8.111 -1.339 1.00 0.00 H new ATOM 0 HA PHE A 110 4.940 -10.196 -3.132 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.101 -7.205 -3.288 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.202 -8.094 -4.794 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.356 -10.184 -4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.987 -6.408 -2.826 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.910 -10.406 -4.798 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.541 -6.627 -2.859 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.503 -8.628 -3.845 1.00 0.00 H new ATOM 1725 N SER A 111 7.899 -8.772 -3.285 1.00 0.00 N ATOM 1726 CA SER A 111 9.246 -8.915 -3.824 1.00 0.00 C ATOM 1727 C SER A 111 9.668 -10.381 -3.852 1.00 0.00 C ATOM 1728 O SER A 111 9.977 -10.931 -4.909 1.00 0.00 O ATOM 1729 CB SER A 111 10.240 -8.103 -2.991 1.00 0.00 C ATOM 1730 OG SER A 111 11.438 -7.868 -3.713 1.00 0.00 O ATOM 0 H SER A 111 7.799 -8.033 -2.589 1.00 0.00 H new ATOM 0 HA SER A 111 9.243 -8.536 -4.846 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.790 -7.152 -2.707 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.467 -8.636 -2.068 1.00 0.00 H new ATOM 0 HG SER A 111 12.056 -7.346 -3.160 1.00 0.00 H new ATOM 1736 N LYS A 112 9.676 -11.010 -2.682 1.00 0.00 N ATOM 1737 CA LYS A 112 10.058 -12.413 -2.569 1.00 0.00 C ATOM 1738 C LYS A 112 9.516 -13.220 -3.744 1.00 0.00 C ATOM 1739 O LYS A 112 10.254 -13.960 -4.394 1.00 0.00 O ATOM 1740 CB LYS A 112 9.540 -12.999 -1.253 1.00 0.00 C ATOM 1741 CG LYS A 112 10.084 -12.298 -0.020 1.00 0.00 C ATOM 1742 CD LYS A 112 10.185 -13.247 1.162 1.00 0.00 C ATOM 1743 CE LYS A 112 11.539 -13.941 1.205 1.00 0.00 C ATOM 1744 NZ LYS A 112 11.632 -14.902 2.339 1.00 0.00 N ATOM 0 H LYS A 112 9.422 -10.570 -1.797 1.00 0.00 H new ATOM 0 HA LYS A 112 11.146 -12.470 -2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.452 -12.942 -1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.804 -14.056 -1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.068 -11.884 -0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.436 -11.460 0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.029 -12.694 2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.394 -13.994 1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.707 -14.469 0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.328 -13.194 1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.568 -15.354 2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.497 -14.394 3.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.896 -15.629 2.239 1.00 0.00 H new