USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1031 hydrogens (14 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 NoAdj-H: B 287 ALY H : B 287 ALY N : B 286 ILE C :(H bumps) USER MOD Set 1.1: B 281 HIS : no HD1:sc= -0.0297 X(o=-0.13,f=-0.23) USER MOD Set 1.2: B 282 ASN : amide:sc= -0.0998 K(o=-0.13,f=-1.2) USER MOD Set 2.1: A 69 GLN : amide:sc= -0.0375 X(o=-0.038,f=-0.13) USER MOD Set 2.2: A 107 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 82 CYS SG : rot 36:sc= -0.641 USER MOD Set 3.2: A 86 ASN : amide:sc= -5.44! C(o=-6.1!,f=-4.4!) USER MOD Set 4.1: A 59 LYS NZ :NH3+ 176:sc= 1.76 (180deg=0.889) USER MOD Set 4.2: A 65 TYR OH : rot 33:sc= -0.702 USER MOD Set 5.1: A 22 HIS : no HD1:sc= -0.619 K(o=-0.41,f=-2.1) USER MOD Set 5.2: A 25 TYR OH : rot -29:sc= 0.205 USER MOD Set 6.1: A 15 LYS NZ :NH3+ -117:sc= 0.998 (180deg=0) USER MOD Set 6.2: A 19 SER OG : rot 61:sc= 1.97 USER MOD Set 7.1: A 10 CYS SG : rot -16:sc= -3.97! USER MOD Set 7.2: A 60 MET CE :methyl -153:sc= -3.19 (180deg=-1.26) USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.012 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -153:sc= -1.57! (180deg=-2.76!) USER MOD Single : A 4 SER OG : rot 180:sc= -0.204 USER MOD Single : A 6 GLN : amide:sc= -1.45 X(o=-1.4,f=-1.5) USER MOD Single : A 8 LYS NZ :NH3+ 171:sc=-0.00195 (180deg=-0.118) USER MOD Single : A 9 HIS : no HD1:sc= -0.556 X(o=-0.56,f=-0.087) USER MOD Single : A 11 ASN : amide:sc= -0.0433 K(o=-0.043,f=-1.5) USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0603) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -140:sc= -0.372 USER MOD Single : A 31 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0617) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.0202 X(o=-0.02,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0742) USER MOD Single : A 49 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=-0.22) USER MOD Single : A 51 MET CE :methyl 165:sc= -0.0495 (180deg=-0.501) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 136:sc= 1.16 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.68! K(o=-1.7!,f=-0.016) USER MOD Single : A 78 MET CE :methyl -144:sc= -1.42 (180deg=-3.04!) USER MOD Single : A 80 SER OG : rot 70:sc= 1.2 USER MOD Single : A 81 ASN : amide:sc= 0.491 K(o=0.49,f=-0.88) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.0262 USER MOD Single : A 84 LYS NZ :NH3+ -177:sc= 0.86 (180deg=0.852) USER MOD Single : A 85 TYR OH : rot -118:sc= 0.0254 USER MOD Single : A 90 HIS : no HD1:sc= -0.264 K(o=-0.26,f=-3.1!) USER MOD Single : A 95 MET CE :methyl -111:sc= -0.904 (180deg=-2.78!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.97 K(o=-0.97,f=-0.092) USER MOD Single : A 109 LYS NZ :NH3+ -118:sc= -0.268 (180deg=-1.29) USER MOD Single : A 110 MET CE :methyl 154:sc= -2.39 (180deg=-3.82!) USER MOD Single : B 288 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.11) USER MOD Single : B 291 GLN : amide:sc= -0.042 X(o=-0.042,f=-0.012) USER MOD Single : B 292 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.730 9.459 -2.267 1.00 0.00 N ATOM 2 CA GLY A 1 23.489 9.610 -3.722 1.00 0.00 C ATOM 3 C GLY A 1 23.240 8.279 -4.398 1.00 0.00 C ATOM 4 O GLY A 1 23.851 7.272 -4.033 1.00 0.00 O ATOM 0 H1 GLY A 1 24.402 10.187 -1.949 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.832 9.568 -1.753 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.125 8.516 -2.077 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.631 10.263 -3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.349 10.095 -4.183 1.00 0.00 H new ATOM 10 N LYS A 2 22.331 8.278 -5.371 1.00 0.00 N ATOM 11 CA LYS A 2 22.018 7.087 -6.156 1.00 0.00 C ATOM 12 C LYS A 2 21.488 5.964 -5.260 1.00 0.00 C ATOM 13 O LYS A 2 21.814 4.793 -5.461 1.00 0.00 O ATOM 14 CB LYS A 2 23.256 6.627 -6.930 1.00 0.00 C ATOM 15 CG LYS A 2 22.945 5.720 -8.110 1.00 0.00 C ATOM 16 CD LYS A 2 22.216 6.470 -9.218 1.00 0.00 C ATOM 17 CE LYS A 2 23.174 7.218 -10.142 1.00 0.00 C ATOM 18 NZ LYS A 2 23.914 8.309 -9.450 1.00 0.00 N ATOM 0 H LYS A 2 21.792 9.102 -5.637 1.00 0.00 H new ATOM 0 HA LYS A 2 21.234 7.340 -6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 2 23.793 7.504 -7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.924 6.102 -6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 2 23.872 5.302 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 2 22.334 4.882 -7.774 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.627 5.764 -9.804 1.00 0.00 H new ATOM 0 HD3 LYS A 2 21.516 7.178 -8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 2 23.889 6.512 -10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 2 22.612 7.639 -10.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 24.174 9.044 -10.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 23.310 8.724 -8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 24.776 7.922 -9.015 1.00 0.00 H new ATOM 32 N LEU A 3 20.677 6.348 -4.269 1.00 0.00 N ATOM 33 CA LEU A 3 20.052 5.407 -3.329 1.00 0.00 C ATOM 34 C LEU A 3 21.061 4.838 -2.336 1.00 0.00 C ATOM 35 O LEU A 3 22.079 4.259 -2.719 1.00 0.00 O ATOM 36 CB LEU A 3 19.347 4.258 -4.066 1.00 0.00 C ATOM 37 CG LEU A 3 18.067 4.635 -4.814 1.00 0.00 C ATOM 38 CD1 LEU A 3 17.599 3.472 -5.673 1.00 0.00 C ATOM 39 CD2 LEU A 3 16.967 5.028 -3.837 1.00 0.00 C ATOM 0 H LEU A 3 20.434 7.323 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 3 19.307 5.977 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 3 20.048 3.824 -4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 3 19.107 3.480 -3.342 1.00 0.00 H new ATOM 0 HG LEU A 3 18.286 5.489 -5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.687 3.753 -6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.374 3.220 -6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.400 2.608 -5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.066 5.292 -4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.753 4.190 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.294 5.884 -3.246 1.00 0.00 H new ATOM 51 N SER A 4 20.768 5.013 -1.055 1.00 0.00 N ATOM 52 CA SER A 4 21.555 4.404 0.004 1.00 0.00 C ATOM 53 C SER A 4 21.188 2.922 0.119 1.00 0.00 C ATOM 54 O SER A 4 20.230 2.481 -0.515 1.00 0.00 O ATOM 55 CB SER A 4 21.314 5.139 1.336 1.00 0.00 C ATOM 56 OG SER A 4 21.936 4.480 2.426 1.00 0.00 O ATOM 0 H SER A 4 19.985 5.576 -0.724 1.00 0.00 H new ATOM 0 HA SER A 4 22.615 4.485 -0.235 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.696 6.157 1.262 1.00 0.00 H new ATOM 0 HB3 SER A 4 20.242 5.213 1.521 1.00 0.00 H new ATOM 0 HG SER A 4 21.761 4.978 3.252 1.00 0.00 H new ATOM 62 N GLU A 5 21.935 2.160 0.911 1.00 0.00 N ATOM 63 CA GLU A 5 21.685 0.723 1.051 1.00 0.00 C ATOM 64 C GLU A 5 20.243 0.468 1.479 1.00 0.00 C ATOM 65 O GLU A 5 19.542 -0.353 0.887 1.00 0.00 O ATOM 66 CB GLU A 5 22.637 0.086 2.071 1.00 0.00 C ATOM 67 CG GLU A 5 24.110 0.183 1.704 1.00 0.00 C ATOM 68 CD GLU A 5 24.679 1.567 1.923 1.00 0.00 C ATOM 69 OE1 GLU A 5 24.890 1.948 3.093 1.00 0.00 O ATOM 70 OE2 GLU A 5 24.920 2.278 0.930 1.00 0.00 O ATOM 0 H GLU A 5 22.717 2.508 1.466 1.00 0.00 H new ATOM 0 HA GLU A 5 21.861 0.267 0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.484 0.563 3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.373 -0.965 2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 5 24.676 -0.535 2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 5 24.238 -0.096 0.658 1.00 0.00 H new ATOM 77 N GLN A 6 19.806 1.206 2.493 1.00 0.00 N ATOM 78 CA GLN A 6 18.445 1.098 3.013 1.00 0.00 C ATOM 79 C GLN A 6 17.433 1.368 1.902 1.00 0.00 C ATOM 80 O GLN A 6 16.417 0.685 1.791 1.00 0.00 O ATOM 81 CB GLN A 6 18.226 2.100 4.160 1.00 0.00 C ATOM 82 CG GLN A 6 18.947 1.772 5.471 1.00 0.00 C ATOM 83 CD GLN A 6 20.393 1.350 5.295 1.00 0.00 C ATOM 84 OE1 GLN A 6 21.296 2.187 5.234 1.00 0.00 O ATOM 85 NE2 GLN A 6 20.629 0.048 5.235 1.00 0.00 N ATOM 0 H GLN A 6 20.382 1.894 2.978 1.00 0.00 H new ATOM 0 HA GLN A 6 18.303 0.086 3.392 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.550 3.085 3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 6 17.157 2.167 4.361 1.00 0.00 H new ATOM 0 HG2 GLN A 6 18.912 2.646 6.121 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.407 0.974 5.980 1.00 0.00 H new ATOM 0 HE21 GLN A 6 19.855 -0.614 5.289 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.585 -0.293 5.135 1.00 0.00 H new ATOM 94 N LEU A 7 17.739 2.351 1.062 1.00 0.00 N ATOM 95 CA LEU A 7 16.834 2.755 -0.005 1.00 0.00 C ATOM 96 C LEU A 7 16.919 1.804 -1.196 1.00 0.00 C ATOM 97 O LEU A 7 15.975 1.671 -1.969 1.00 0.00 O ATOM 98 CB LEU A 7 17.130 4.188 -0.439 1.00 0.00 C ATOM 99 CG LEU A 7 16.852 5.243 0.625 1.00 0.00 C ATOM 100 CD1 LEU A 7 17.314 6.605 0.147 1.00 0.00 C ATOM 101 CD2 LEU A 7 15.373 5.280 0.978 1.00 0.00 C ATOM 0 H LEU A 7 18.609 2.883 1.101 1.00 0.00 H new ATOM 0 HA LEU A 7 15.816 2.710 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.177 4.255 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.534 4.416 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 7 17.410 4.978 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.109 7.349 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.385 6.576 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.780 6.871 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.200 6.041 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.792 5.519 0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.066 4.307 1.361 1.00 0.00 H new ATOM 113 N LYS A 8 18.050 1.143 -1.345 1.00 0.00 N ATOM 114 CA LYS A 8 18.180 0.112 -2.355 1.00 0.00 C ATOM 115 C LYS A 8 17.366 -1.099 -1.942 1.00 0.00 C ATOM 116 O LYS A 8 16.729 -1.749 -2.769 1.00 0.00 O ATOM 117 CB LYS A 8 19.646 -0.268 -2.549 1.00 0.00 C ATOM 118 CG LYS A 8 19.873 -1.364 -3.583 1.00 0.00 C ATOM 119 CD LYS A 8 19.359 -0.966 -4.960 1.00 0.00 C ATOM 120 CE LYS A 8 20.021 0.308 -5.466 1.00 0.00 C ATOM 121 NZ LYS A 8 21.501 0.181 -5.539 1.00 0.00 N ATOM 0 H LYS A 8 18.887 1.300 -0.784 1.00 0.00 H new ATOM 0 HA LYS A 8 17.804 0.491 -3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.204 0.620 -2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.055 -0.595 -1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.938 -1.589 -3.645 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.373 -2.277 -3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.545 -1.776 -5.665 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.279 -0.822 -4.917 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.630 0.551 -6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.761 1.137 -4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.897 1.009 -6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.893 0.127 -4.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.750 -0.682 -6.063 1.00 0.00 H new ATOM 135 N HIS A 9 17.370 -1.379 -0.649 1.00 0.00 N ATOM 136 CA HIS A 9 16.594 -2.480 -0.121 1.00 0.00 C ATOM 137 C HIS A 9 15.108 -2.145 -0.188 1.00 0.00 C ATOM 138 O HIS A 9 14.284 -3.018 -0.440 1.00 0.00 O ATOM 139 CB HIS A 9 17.009 -2.796 1.318 1.00 0.00 C ATOM 140 CG HIS A 9 16.830 -4.237 1.687 1.00 0.00 C ATOM 141 ND1 HIS A 9 17.879 -5.058 2.030 1.00 0.00 N ATOM 142 CD2 HIS A 9 15.719 -5.005 1.770 1.00 0.00 C ATOM 143 CE1 HIS A 9 17.425 -6.264 2.306 1.00 0.00 C ATOM 144 NE2 HIS A 9 16.115 -6.260 2.158 1.00 0.00 N ATOM 0 H HIS A 9 17.901 -0.859 0.049 1.00 0.00 H new ATOM 0 HA HIS A 9 16.785 -3.365 -0.728 1.00 0.00 H new ATOM 0 HB2 HIS A 9 18.055 -2.521 1.455 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.425 -2.179 2.000 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.706 -4.688 1.568 1.00 0.00 H new ATOM 0 HE1 HIS A 9 18.024 -7.112 2.603 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.498 -7.058 2.307 1.00 0.00 H new ATOM 153 N CYS A 10 14.765 -0.872 0.018 1.00 0.00 N ATOM 154 CA CYS A 10 13.371 -0.455 -0.076 1.00 0.00 C ATOM 155 C CYS A 10 12.907 -0.512 -1.526 1.00 0.00 C ATOM 156 O CYS A 10 11.733 -0.757 -1.799 1.00 0.00 O ATOM 157 CB CYS A 10 13.145 0.945 0.522 1.00 0.00 C ATOM 158 SG CYS A 10 13.708 2.334 -0.481 1.00 0.00 S ATOM 0 H CYS A 10 15.422 -0.126 0.247 1.00 0.00 H new ATOM 0 HA CYS A 10 12.773 -1.149 0.515 1.00 0.00 H new ATOM 0 HB2 CYS A 10 12.079 1.069 0.713 1.00 0.00 H new ATOM 0 HB3 CYS A 10 13.649 0.992 1.487 1.00 0.00 H new ATOM 0 HG CYS A 10 14.514 1.903 -1.405 1.00 0.00 H new ATOM 164 N ASN A 11 13.843 -0.314 -2.452 1.00 0.00 N ATOM 165 CA ASN A 11 13.543 -0.425 -3.873 1.00 0.00 C ATOM 166 C ASN A 11 13.234 -1.876 -4.222 1.00 0.00 C ATOM 167 O ASN A 11 12.315 -2.166 -4.992 1.00 0.00 O ATOM 168 CB ASN A 11 14.726 0.078 -4.710 1.00 0.00 C ATOM 169 CG ASN A 11 14.420 0.116 -6.197 1.00 0.00 C ATOM 170 OD1 ASN A 11 13.273 0.309 -6.608 1.00 0.00 O ATOM 171 ND2 ASN A 11 15.443 -0.067 -7.016 1.00 0.00 N ATOM 0 H ASN A 11 14.812 -0.077 -2.242 1.00 0.00 H new ATOM 0 HA ASN A 11 12.673 0.191 -4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.003 1.077 -4.375 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.588 -0.567 -4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.297 -0.051 -8.025 1.00 0.00 H new ATOM 0 HD22 ASN A 11 16.377 -0.224 -6.638 1.00 0.00 H new ATOM 178 N GLY A 12 13.995 -2.785 -3.620 1.00 0.00 N ATOM 179 CA GLY A 12 13.815 -4.203 -3.872 1.00 0.00 C ATOM 180 C GLY A 12 12.546 -4.749 -3.244 1.00 0.00 C ATOM 181 O GLY A 12 11.834 -5.543 -3.861 1.00 0.00 O ATOM 0 H GLY A 12 14.738 -2.562 -2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.788 -4.377 -4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.674 -4.750 -3.482 1.00 0.00 H new ATOM 185 N ILE A 13 12.268 -4.334 -2.014 1.00 0.00 N ATOM 186 CA ILE A 13 11.051 -4.746 -1.322 1.00 0.00 C ATOM 187 C ILE A 13 9.816 -4.268 -2.084 1.00 0.00 C ATOM 188 O ILE A 13 8.862 -5.022 -2.281 1.00 0.00 O ATOM 189 CB ILE A 13 11.005 -4.192 0.118 1.00 0.00 C ATOM 190 CG1 ILE A 13 12.172 -4.745 0.945 1.00 0.00 C ATOM 191 CG2 ILE A 13 9.680 -4.542 0.786 1.00 0.00 C ATOM 192 CD1 ILE A 13 12.285 -4.132 2.321 1.00 0.00 C ATOM 0 H ILE A 13 12.869 -3.712 -1.474 1.00 0.00 H new ATOM 0 HA ILE A 13 11.056 -5.835 -1.276 1.00 0.00 H new ATOM 0 HB ILE A 13 11.095 -3.107 0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 13 12.055 -5.824 1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.102 -4.575 0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.667 -4.143 1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.859 -4.109 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.565 -5.625 0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 13 13.132 -4.572 2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.434 -3.056 2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.370 -4.325 2.882 1.00 0.00 H new ATOM 204 N LEU A 14 9.850 -3.010 -2.514 1.00 0.00 N ATOM 205 CA LEU A 14 8.774 -2.431 -3.300 1.00 0.00 C ATOM 206 C LEU A 14 8.571 -3.227 -4.584 1.00 0.00 C ATOM 207 O LEU A 14 7.444 -3.536 -4.970 1.00 0.00 O ATOM 208 CB LEU A 14 9.115 -0.981 -3.635 1.00 0.00 C ATOM 209 CG LEU A 14 7.941 -0.019 -3.603 1.00 0.00 C ATOM 210 CD1 LEU A 14 8.454 1.402 -3.572 1.00 0.00 C ATOM 211 CD2 LEU A 14 7.036 -0.222 -4.802 1.00 0.00 C ATOM 0 H LEU A 14 10.621 -2.369 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 14 7.851 -2.463 -2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.871 -0.630 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.563 -0.950 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 14 7.356 -0.215 -2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.611 2.093 -3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.067 1.548 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.054 1.592 -4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.204 0.480 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.602 -0.051 -5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.651 -1.242 -4.799 1.00 0.00 H new ATOM 223 N LYS A 15 9.681 -3.565 -5.226 1.00 0.00 N ATOM 224 CA LYS A 15 9.683 -4.359 -6.434 1.00 0.00 C ATOM 225 C LYS A 15 8.976 -5.688 -6.208 1.00 0.00 C ATOM 226 O LYS A 15 8.254 -6.174 -7.075 1.00 0.00 O ATOM 227 CB LYS A 15 11.135 -4.559 -6.863 1.00 0.00 C ATOM 228 CG LYS A 15 11.423 -5.893 -7.505 1.00 0.00 C ATOM 229 CD LYS A 15 11.076 -5.917 -8.982 1.00 0.00 C ATOM 230 CE LYS A 15 11.485 -7.239 -9.604 1.00 0.00 C ATOM 231 NZ LYS A 15 10.535 -8.337 -9.290 1.00 0.00 N ATOM 0 H LYS A 15 10.612 -3.290 -4.914 1.00 0.00 H new ATOM 0 HA LYS A 15 9.137 -3.847 -7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.405 -3.768 -7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.777 -4.445 -5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.479 -6.132 -7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.857 -6.670 -6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.005 -5.763 -9.112 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.580 -5.097 -9.493 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.554 -7.121 -10.685 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.479 -7.511 -9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.023 -9.071 -8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.739 -7.960 -8.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.177 -8.750 -10.175 1.00 0.00 H new ATOM 245 N GLU A 16 9.161 -6.240 -5.021 1.00 0.00 N ATOM 246 CA GLU A 16 8.569 -7.529 -4.662 1.00 0.00 C ATOM 247 C GLU A 16 7.050 -7.422 -4.622 1.00 0.00 C ATOM 248 O GLU A 16 6.344 -8.249 -5.194 1.00 0.00 O ATOM 249 CB GLU A 16 9.085 -8.016 -3.305 1.00 0.00 C ATOM 250 CG GLU A 16 8.468 -9.336 -2.853 1.00 0.00 C ATOM 251 CD GLU A 16 8.991 -10.532 -3.614 1.00 0.00 C ATOM 252 OE1 GLU A 16 10.108 -10.993 -3.309 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.272 -11.042 -4.491 1.00 0.00 O ATOM 0 H GLU A 16 9.720 -5.816 -4.281 1.00 0.00 H new ATOM 0 HA GLU A 16 8.861 -8.252 -5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.168 -8.130 -3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.881 -7.253 -2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.665 -9.476 -1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.386 -9.283 -2.972 1.00 0.00 H new ATOM 260 N LEU A 17 6.554 -6.383 -3.965 1.00 0.00 N ATOM 261 CA LEU A 17 5.115 -6.182 -3.829 1.00 0.00 C ATOM 262 C LEU A 17 4.510 -5.822 -5.188 1.00 0.00 C ATOM 263 O LEU A 17 3.333 -6.069 -5.448 1.00 0.00 O ATOM 264 CB LEU A 17 4.836 -5.077 -2.798 1.00 0.00 C ATOM 265 CG LEU A 17 5.407 -5.315 -1.396 1.00 0.00 C ATOM 266 CD1 LEU A 17 5.559 -3.991 -0.672 1.00 0.00 C ATOM 267 CD2 LEU A 17 4.509 -6.242 -0.584 1.00 0.00 C ATOM 0 H LEU A 17 7.125 -5.666 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 17 4.653 -7.105 -3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.240 -4.139 -3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.757 -4.949 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 17 6.382 -5.791 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.965 -4.166 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.236 -3.346 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.585 -3.509 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.941 -6.392 0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.520 -5.795 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.424 -7.203 -1.092 1.00 0.00 H new ATOM 279 N LEU A 18 5.341 -5.265 -6.062 1.00 0.00 N ATOM 280 CA LEU A 18 4.915 -4.873 -7.401 1.00 0.00 C ATOM 281 C LEU A 18 5.060 -6.017 -8.397 1.00 0.00 C ATOM 282 O LEU A 18 4.627 -5.919 -9.545 1.00 0.00 O ATOM 283 CB LEU A 18 5.742 -3.695 -7.894 1.00 0.00 C ATOM 284 CG LEU A 18 5.476 -2.369 -7.195 1.00 0.00 C ATOM 285 CD1 LEU A 18 6.395 -1.305 -7.756 1.00 0.00 C ATOM 286 CD2 LEU A 18 4.022 -1.951 -7.346 1.00 0.00 C ATOM 0 H LEU A 18 6.323 -5.073 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 18 3.863 -4.596 -7.333 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.798 -3.941 -7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.559 -3.566 -8.961 1.00 0.00 H new ATOM 0 HG LEU A 18 5.676 -2.491 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.203 -0.357 -7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.432 -1.598 -7.594 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.213 -1.193 -8.825 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.862 -1.001 -6.837 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.783 -1.841 -8.404 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.377 -2.712 -6.906 1.00 0.00 H new ATOM 298 N SER A 19 5.716 -7.077 -7.972 1.00 0.00 N ATOM 299 CA SER A 19 5.916 -8.245 -8.817 1.00 0.00 C ATOM 300 C SER A 19 4.599 -8.974 -9.060 1.00 0.00 C ATOM 301 O SER A 19 3.747 -9.065 -8.172 1.00 0.00 O ATOM 302 CB SER A 19 6.922 -9.195 -8.167 1.00 0.00 C ATOM 303 OG SER A 19 8.176 -8.563 -7.995 1.00 0.00 O ATOM 0 H SER A 19 6.124 -7.157 -7.041 1.00 0.00 H new ATOM 0 HA SER A 19 6.305 -7.908 -9.778 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.542 -9.527 -7.201 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.041 -10.084 -8.786 1.00 0.00 H new ATOM 0 HG SER A 19 8.071 -7.780 -7.414 1.00 0.00 H new ATOM 309 N LYS A 20 4.454 -9.505 -10.276 1.00 0.00 N ATOM 310 CA LYS A 20 3.282 -10.283 -10.664 1.00 0.00 C ATOM 311 C LYS A 20 3.102 -11.490 -9.753 1.00 0.00 C ATOM 312 O LYS A 20 2.013 -12.058 -9.663 1.00 0.00 O ATOM 313 CB LYS A 20 3.403 -10.727 -12.120 1.00 0.00 C ATOM 314 CG LYS A 20 3.093 -9.608 -13.107 1.00 0.00 C ATOM 315 CD LYS A 20 1.603 -9.307 -13.166 1.00 0.00 C ATOM 316 CE LYS A 20 1.322 -8.000 -13.892 1.00 0.00 C ATOM 317 NZ LYS A 20 1.689 -6.812 -13.075 1.00 0.00 N ATOM 0 H LYS A 20 5.147 -9.406 -11.017 1.00 0.00 H new ATOM 0 HA LYS A 20 2.401 -9.649 -10.561 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.413 -11.094 -12.300 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.724 -11.561 -12.298 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.635 -8.707 -12.818 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.447 -9.889 -14.099 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.087 -10.123 -13.672 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.202 -9.255 -12.154 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.879 -7.980 -14.829 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.264 -7.949 -14.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.342 -5.949 -13.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.258 -6.893 -12.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.723 -6.762 -12.980 1.00 0.00 H new ATOM 331 N LYS A 21 4.185 -11.864 -9.087 1.00 0.00 N ATOM 332 CA LYS A 21 4.170 -12.898 -8.064 1.00 0.00 C ATOM 333 C LYS A 21 3.151 -12.576 -6.967 1.00 0.00 C ATOM 334 O LYS A 21 2.498 -13.468 -6.428 1.00 0.00 O ATOM 335 CB LYS A 21 5.576 -13.025 -7.471 1.00 0.00 C ATOM 336 CG LYS A 21 5.667 -13.888 -6.227 1.00 0.00 C ATOM 337 CD LYS A 21 7.083 -13.926 -5.691 1.00 0.00 C ATOM 338 CE LYS A 21 7.250 -15.064 -4.713 1.00 0.00 C ATOM 339 NZ LYS A 21 8.527 -14.967 -3.957 1.00 0.00 N ATOM 0 H LYS A 21 5.106 -11.455 -9.243 1.00 0.00 H new ATOM 0 HA LYS A 21 3.873 -13.844 -8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.240 -13.437 -8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.946 -12.028 -7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.996 -13.499 -5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.335 -14.900 -6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.787 -14.041 -6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.318 -12.981 -5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.414 -15.066 -4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.218 -16.012 -5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.601 -15.767 -3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.327 -14.991 -4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.547 -14.075 -3.423 1.00 0.00 H new ATOM 353 N HIS A 22 3.009 -11.293 -6.647 1.00 0.00 N ATOM 354 CA HIS A 22 2.094 -10.870 -5.591 1.00 0.00 C ATOM 355 C HIS A 22 0.919 -10.099 -6.165 1.00 0.00 C ATOM 356 O HIS A 22 -0.066 -9.883 -5.472 1.00 0.00 O ATOM 357 CB HIS A 22 2.818 -10.008 -4.546 1.00 0.00 C ATOM 358 CG HIS A 22 3.936 -10.731 -3.860 1.00 0.00 C ATOM 359 ND1 HIS A 22 3.756 -11.536 -2.751 1.00 0.00 N ATOM 360 CD2 HIS A 22 5.255 -10.784 -4.148 1.00 0.00 C ATOM 361 CE1 HIS A 22 4.917 -12.050 -2.389 1.00 0.00 C ATOM 362 NE2 HIS A 22 5.840 -11.610 -3.222 1.00 0.00 N ATOM 0 H HIS A 22 3.513 -10.531 -7.101 1.00 0.00 H new ATOM 0 HA HIS A 22 1.719 -11.771 -5.104 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.214 -9.116 -5.031 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.098 -9.672 -3.799 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.755 -10.272 -4.956 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.082 -12.716 -1.555 1.00 0.00 H new ATOM 0 HE2 HIS A 22 6.832 -11.846 -3.184 1.00 0.00 H new ATOM 371 N ALA A 23 1.025 -9.710 -7.436 1.00 0.00 N ATOM 372 CA ALA A 23 0.004 -8.901 -8.110 1.00 0.00 C ATOM 373 C ALA A 23 -1.401 -9.451 -7.916 1.00 0.00 C ATOM 374 O ALA A 23 -2.360 -8.687 -7.799 1.00 0.00 O ATOM 375 CB ALA A 23 0.320 -8.807 -9.588 1.00 0.00 C ATOM 0 H ALA A 23 1.821 -9.946 -8.029 1.00 0.00 H new ATOM 0 HA ALA A 23 0.026 -7.910 -7.657 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.441 -8.205 -10.085 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.296 -8.341 -9.722 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.332 -9.807 -10.022 1.00 0.00 H new ATOM 381 N ALA A 24 -1.504 -10.774 -7.853 1.00 0.00 N ATOM 382 CA ALA A 24 -2.780 -11.460 -7.672 1.00 0.00 C ATOM 383 C ALA A 24 -3.497 -11.004 -6.399 1.00 0.00 C ATOM 384 O ALA A 24 -4.697 -11.225 -6.240 1.00 0.00 O ATOM 385 CB ALA A 24 -2.544 -12.958 -7.637 1.00 0.00 C ATOM 0 H ALA A 24 -0.704 -11.403 -7.926 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.426 -11.207 -8.513 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.495 -13.473 -7.502 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.089 -13.277 -8.575 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.878 -13.202 -6.809 1.00 0.00 H new ATOM 391 N TYR A 25 -2.755 -10.393 -5.487 1.00 0.00 N ATOM 392 CA TYR A 25 -3.333 -9.838 -4.272 1.00 0.00 C ATOM 393 C TYR A 25 -2.605 -8.555 -3.861 1.00 0.00 C ATOM 394 O TYR A 25 -2.646 -8.146 -2.704 1.00 0.00 O ATOM 395 CB TYR A 25 -3.310 -10.885 -3.145 1.00 0.00 C ATOM 396 CG TYR A 25 -2.022 -11.674 -3.034 1.00 0.00 C ATOM 397 CD1 TYR A 25 -0.888 -11.128 -2.454 1.00 0.00 C ATOM 398 CD2 TYR A 25 -1.957 -12.985 -3.491 1.00 0.00 C ATOM 399 CE1 TYR A 25 0.278 -11.864 -2.335 1.00 0.00 C ATOM 400 CE2 TYR A 25 -0.795 -13.723 -3.380 1.00 0.00 C ATOM 401 CZ TYR A 25 0.319 -13.159 -2.801 1.00 0.00 C ATOM 402 OH TYR A 25 1.479 -13.892 -2.688 1.00 0.00 O ATOM 0 H TYR A 25 -1.746 -10.269 -5.566 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.373 -9.575 -4.467 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.493 -10.380 -2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.134 -11.582 -3.299 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.915 -10.112 -2.089 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.830 -13.434 -3.941 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.152 -11.424 -1.878 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.761 -14.739 -3.746 1.00 0.00 H new ATOM 0 HH TYR A 25 2.251 -13.289 -2.712 1.00 0.00 H new ATOM 412 N ALA A 26 -1.941 -7.927 -4.832 1.00 0.00 N ATOM 413 CA ALA A 26 -1.213 -6.680 -4.593 1.00 0.00 C ATOM 414 C ALA A 26 -1.754 -5.538 -5.456 1.00 0.00 C ATOM 415 O ALA A 26 -1.422 -4.366 -5.240 1.00 0.00 O ATOM 416 CB ALA A 26 0.276 -6.867 -4.870 1.00 0.00 C ATOM 0 H ALA A 26 -1.892 -8.262 -5.794 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.357 -6.417 -3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.801 -5.929 -4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.674 -7.640 -4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.418 -7.165 -5.909 1.00 0.00 H new ATOM 422 N TRP A 27 -2.597 -5.873 -6.433 1.00 0.00 N ATOM 423 CA TRP A 27 -3.097 -4.873 -7.373 1.00 0.00 C ATOM 424 C TRP A 27 -3.820 -3.687 -6.695 1.00 0.00 C ATOM 425 O TRP A 27 -3.687 -2.567 -7.182 1.00 0.00 O ATOM 426 CB TRP A 27 -3.982 -5.503 -8.469 1.00 0.00 C ATOM 427 CG TRP A 27 -5.196 -6.243 -7.973 1.00 0.00 C ATOM 428 CD1 TRP A 27 -5.280 -7.575 -7.688 1.00 0.00 C ATOM 429 CD2 TRP A 27 -6.504 -5.697 -7.727 1.00 0.00 C ATOM 430 NE1 TRP A 27 -6.549 -7.889 -7.270 1.00 0.00 N ATOM 431 CE2 TRP A 27 -7.318 -6.757 -7.286 1.00 0.00 C ATOM 432 CE3 TRP A 27 -7.064 -4.417 -7.827 1.00 0.00 C ATOM 433 CZ2 TRP A 27 -8.657 -6.580 -6.951 1.00 0.00 C ATOM 434 CZ3 TRP A 27 -8.394 -4.244 -7.495 1.00 0.00 C ATOM 435 CH2 TRP A 27 -9.177 -5.320 -7.063 1.00 0.00 C ATOM 0 H TRP A 27 -2.944 -6.819 -6.592 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.207 -4.459 -7.847 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.310 -4.714 -9.146 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.372 -6.191 -9.054 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.466 -8.279 -7.778 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.868 -8.817 -6.992 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -6.467 -3.580 -8.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.264 -7.408 -6.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -8.837 -3.262 -7.570 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -10.214 -5.152 -6.813 1.00 0.00 H new ATOM 446 N PRO A 28 -4.587 -3.874 -5.578 1.00 0.00 N ATOM 447 CA PRO A 28 -5.241 -2.743 -4.895 1.00 0.00 C ATOM 448 C PRO A 28 -4.268 -1.637 -4.491 1.00 0.00 C ATOM 449 O PRO A 28 -4.669 -0.491 -4.288 1.00 0.00 O ATOM 450 CB PRO A 28 -5.858 -3.347 -3.623 1.00 0.00 C ATOM 451 CG PRO A 28 -5.405 -4.771 -3.558 1.00 0.00 C ATOM 452 CD PRO A 28 -4.922 -5.159 -4.931 1.00 0.00 C ATOM 0 HA PRO A 28 -5.965 -2.278 -5.565 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.535 -2.798 -2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.946 -3.288 -3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.607 -4.886 -2.825 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.223 -5.419 -3.243 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.053 -5.815 -4.876 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.692 -5.695 -5.486 1.00 0.00 H new ATOM 460 N PHE A 29 -2.992 -1.981 -4.380 1.00 0.00 N ATOM 461 CA PHE A 29 -2.007 -1.055 -3.829 1.00 0.00 C ATOM 462 C PHE A 29 -1.063 -0.522 -4.899 1.00 0.00 C ATOM 463 O PHE A 29 -0.270 0.384 -4.631 1.00 0.00 O ATOM 464 CB PHE A 29 -1.193 -1.732 -2.731 1.00 0.00 C ATOM 465 CG PHE A 29 -1.986 -2.703 -1.903 1.00 0.00 C ATOM 466 CD1 PHE A 29 -1.683 -4.055 -1.923 1.00 0.00 C ATOM 467 CD2 PHE A 29 -3.038 -2.269 -1.114 1.00 0.00 C ATOM 468 CE1 PHE A 29 -2.413 -4.952 -1.176 1.00 0.00 C ATOM 469 CE2 PHE A 29 -3.772 -3.164 -0.362 1.00 0.00 C ATOM 470 CZ PHE A 29 -3.458 -4.507 -0.394 1.00 0.00 C ATOM 0 H PHE A 29 -2.615 -2.886 -4.661 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.560 -0.213 -3.413 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.353 -2.257 -3.185 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.775 -0.967 -2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.864 -4.409 -2.532 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.287 -1.218 -1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.167 -6.003 -1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.590 -2.814 0.250 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.030 -5.210 0.193 1.00 0.00 H new ATOM 480 N TYR A 30 -1.118 -1.106 -6.092 1.00 0.00 N ATOM 481 CA TYR A 30 -0.320 -0.613 -7.216 1.00 0.00 C ATOM 482 C TYR A 30 -0.574 0.875 -7.461 1.00 0.00 C ATOM 483 O TYR A 30 0.366 1.667 -7.523 1.00 0.00 O ATOM 484 CB TYR A 30 -0.622 -1.414 -8.484 1.00 0.00 C ATOM 485 CG TYR A 30 0.062 -2.763 -8.526 1.00 0.00 C ATOM 486 CD1 TYR A 30 0.577 -3.329 -7.373 1.00 0.00 C ATOM 487 CD2 TYR A 30 0.207 -3.459 -9.717 1.00 0.00 C ATOM 488 CE1 TYR A 30 1.217 -4.546 -7.396 1.00 0.00 C ATOM 489 CE2 TYR A 30 0.844 -4.685 -9.750 1.00 0.00 C ATOM 490 CZ TYR A 30 1.348 -5.220 -8.584 1.00 0.00 C ATOM 491 OH TYR A 30 1.988 -6.434 -8.604 1.00 0.00 O ATOM 0 H TYR A 30 -1.701 -1.915 -6.307 1.00 0.00 H new ATOM 0 HA TYR A 30 0.731 -0.743 -6.960 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.699 -1.560 -8.564 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.314 -0.833 -9.353 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.474 -2.804 -6.435 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.183 -3.037 -10.631 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.614 -4.969 -6.485 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.946 -5.220 -10.683 1.00 0.00 H new ATOM 0 HH TYR A 30 2.550 -6.495 -9.405 1.00 0.00 H new ATOM 501 N LYS A 31 -1.842 1.242 -7.598 1.00 0.00 N ATOM 502 CA LYS A 31 -2.234 2.635 -7.772 1.00 0.00 C ATOM 503 C LYS A 31 -3.418 2.964 -6.873 1.00 0.00 C ATOM 504 O LYS A 31 -4.123 2.057 -6.423 1.00 0.00 O ATOM 505 CB LYS A 31 -2.588 2.914 -9.234 1.00 0.00 C ATOM 506 CG LYS A 31 -1.377 3.133 -10.125 1.00 0.00 C ATOM 507 CD LYS A 31 -1.787 3.568 -11.522 1.00 0.00 C ATOM 508 CE LYS A 31 -0.578 3.841 -12.405 1.00 0.00 C ATOM 509 NZ LYS A 31 0.207 2.608 -12.672 1.00 0.00 N ATOM 0 H LYS A 31 -2.624 0.587 -7.592 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.392 3.269 -7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.168 2.078 -9.624 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.227 3.796 -9.282 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.730 3.890 -9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.796 2.212 -10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.403 2.793 -11.978 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.401 4.466 -11.458 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.909 4.271 -13.350 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.062 4.581 -11.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.950 2.814 -13.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.644 2.277 -11.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.423 1.869 -13.045 1.00 0.00 H new ATOM 523 N PRO A 32 -3.655 4.262 -6.594 1.00 0.00 N ATOM 524 CA PRO A 32 -4.774 4.698 -5.757 1.00 0.00 C ATOM 525 C PRO A 32 -6.102 4.193 -6.304 1.00 0.00 C ATOM 526 O PRO A 32 -6.274 4.057 -7.520 1.00 0.00 O ATOM 527 CB PRO A 32 -4.713 6.233 -5.823 1.00 0.00 C ATOM 528 CG PRO A 32 -3.834 6.542 -6.986 1.00 0.00 C ATOM 529 CD PRO A 32 -2.862 5.405 -7.071 1.00 0.00 C ATOM 0 HA PRO A 32 -4.703 4.313 -4.740 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.707 6.661 -5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.307 6.651 -4.901 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.415 6.630 -7.904 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.316 7.491 -6.845 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.506 5.253 -8.090 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.984 5.576 -6.448 1.00 0.00 H new ATOM 537 N VAL A 33 -7.031 3.903 -5.403 1.00 0.00 N ATOM 538 CA VAL A 33 -8.319 3.357 -5.791 1.00 0.00 C ATOM 539 C VAL A 33 -9.068 4.362 -6.659 1.00 0.00 C ATOM 540 O VAL A 33 -8.974 5.578 -6.454 1.00 0.00 O ATOM 541 CB VAL A 33 -9.173 2.947 -4.560 1.00 0.00 C ATOM 542 CG1 VAL A 33 -8.288 2.484 -3.419 1.00 0.00 C ATOM 543 CG2 VAL A 33 -10.111 4.055 -4.107 1.00 0.00 C ATOM 0 H VAL A 33 -6.914 4.038 -4.399 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.138 2.450 -6.368 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.800 2.112 -4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.909 2.202 -2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.700 1.624 -3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.618 3.293 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.684 3.716 -3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.529 4.935 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.793 4.309 -4.919 1.00 0.00 H new ATOM 553 N ASP A 34 -9.791 3.854 -7.638 1.00 0.00 N ATOM 554 CA ASP A 34 -10.497 4.708 -8.584 1.00 0.00 C ATOM 555 C ASP A 34 -11.827 5.136 -8.006 1.00 0.00 C ATOM 556 O ASP A 34 -12.879 4.723 -8.478 1.00 0.00 O ATOM 557 CB ASP A 34 -10.698 4.005 -9.932 1.00 0.00 C ATOM 558 CG ASP A 34 -9.382 3.686 -10.607 1.00 0.00 C ATOM 559 OD1 ASP A 34 -8.771 4.608 -11.186 1.00 0.00 O ATOM 560 OD2 ASP A 34 -8.942 2.518 -10.554 1.00 0.00 O ATOM 0 H ASP A 34 -9.907 2.854 -7.802 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.886 5.593 -8.761 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.260 3.084 -9.780 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.296 4.639 -10.586 1.00 0.00 H new ATOM 565 N ALA A 35 -11.760 5.973 -6.979 1.00 0.00 N ATOM 566 CA ALA A 35 -12.939 6.430 -6.255 1.00 0.00 C ATOM 567 C ALA A 35 -13.977 7.036 -7.197 1.00 0.00 C ATOM 568 O ALA A 35 -15.177 6.915 -6.963 1.00 0.00 O ATOM 569 CB ALA A 35 -12.536 7.436 -5.189 1.00 0.00 C ATOM 0 H ALA A 35 -10.884 6.355 -6.623 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.397 5.565 -5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.423 7.773 -4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.845 6.967 -4.489 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.051 8.291 -5.660 1.00 0.00 H new ATOM 575 N SER A 36 -13.513 7.674 -8.261 1.00 0.00 N ATOM 576 CA SER A 36 -14.402 8.256 -9.260 1.00 0.00 C ATOM 577 C SER A 36 -15.265 7.176 -9.921 1.00 0.00 C ATOM 578 O SER A 36 -16.456 7.375 -10.163 1.00 0.00 O ATOM 579 CB SER A 36 -13.578 8.993 -10.316 1.00 0.00 C ATOM 580 OG SER A 36 -12.709 9.939 -9.710 1.00 0.00 O ATOM 0 H SER A 36 -12.520 7.803 -8.457 1.00 0.00 H new ATOM 0 HA SER A 36 -15.067 8.962 -8.763 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.995 8.276 -10.894 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.244 9.500 -11.014 1.00 0.00 H new ATOM 0 HG SER A 36 -12.190 10.398 -10.403 1.00 0.00 H new ATOM 586 N ALA A 37 -14.658 6.029 -10.187 1.00 0.00 N ATOM 587 CA ALA A 37 -15.348 4.916 -10.829 1.00 0.00 C ATOM 588 C ALA A 37 -15.996 4.003 -9.790 1.00 0.00 C ATOM 589 O ALA A 37 -16.976 3.313 -10.069 1.00 0.00 O ATOM 590 CB ALA A 37 -14.366 4.131 -11.686 1.00 0.00 C ATOM 0 H ALA A 37 -13.680 5.842 -9.966 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.139 5.315 -11.464 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.884 3.300 -12.165 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.946 4.785 -12.450 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.563 3.745 -11.058 1.00 0.00 H new ATOM 596 N LEU A 38 -15.444 4.019 -8.587 1.00 0.00 N ATOM 597 CA LEU A 38 -15.915 3.173 -7.499 1.00 0.00 C ATOM 598 C LEU A 38 -17.105 3.805 -6.776 1.00 0.00 C ATOM 599 O LEU A 38 -17.688 3.199 -5.879 1.00 0.00 O ATOM 600 CB LEU A 38 -14.767 2.922 -6.517 1.00 0.00 C ATOM 601 CG LEU A 38 -13.658 2.002 -7.036 1.00 0.00 C ATOM 602 CD1 LEU A 38 -12.374 2.191 -6.238 1.00 0.00 C ATOM 603 CD2 LEU A 38 -14.107 0.553 -6.980 1.00 0.00 C ATOM 0 H LEU A 38 -14.657 4.618 -8.336 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.252 2.225 -7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.325 3.881 -6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.178 2.491 -5.604 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.454 2.267 -8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.603 1.526 -6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.040 3.225 -6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.559 1.957 -5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.309 -0.090 -7.352 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.340 0.284 -5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.995 0.423 -7.598 1.00 0.00 H new ATOM 615 N GLY A 39 -17.451 5.029 -7.163 1.00 0.00 N ATOM 616 CA GLY A 39 -18.565 5.727 -6.538 1.00 0.00 C ATOM 617 C GLY A 39 -18.191 6.294 -5.183 1.00 0.00 C ATOM 618 O GLY A 39 -19.041 6.774 -4.433 1.00 0.00 O ATOM 0 H GLY A 39 -16.979 5.553 -7.900 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -18.898 6.535 -7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.405 5.042 -6.425 1.00 0.00 H new ATOM 622 N LEU A 40 -16.908 6.231 -4.871 1.00 0.00 N ATOM 623 CA LEU A 40 -16.398 6.685 -3.596 1.00 0.00 C ATOM 624 C LEU A 40 -16.099 8.179 -3.633 1.00 0.00 C ATOM 625 O LEU A 40 -14.954 8.597 -3.785 1.00 0.00 O ATOM 626 CB LEU A 40 -15.146 5.893 -3.241 1.00 0.00 C ATOM 627 CG LEU A 40 -15.253 4.387 -3.487 1.00 0.00 C ATOM 628 CD1 LEU A 40 -14.042 3.666 -2.927 1.00 0.00 C ATOM 629 CD2 LEU A 40 -16.538 3.833 -2.898 1.00 0.00 C ATOM 0 H LEU A 40 -16.193 5.863 -5.498 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.155 6.518 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.309 6.284 -3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -14.912 6.060 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.279 4.218 -4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.138 2.596 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.140 4.039 -3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.977 3.844 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.592 2.761 -3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.554 4.015 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.393 4.325 -3.362 1.00 0.00 H new ATOM 641 N HIS A 41 -17.142 8.978 -3.478 1.00 0.00 N ATOM 642 CA HIS A 41 -17.024 10.432 -3.569 1.00 0.00 C ATOM 643 C HIS A 41 -16.278 11.006 -2.369 1.00 0.00 C ATOM 644 O HIS A 41 -15.819 12.145 -2.403 1.00 0.00 O ATOM 645 CB HIS A 41 -18.410 11.085 -3.652 1.00 0.00 C ATOM 646 CG HIS A 41 -19.276 10.579 -4.773 1.00 0.00 C ATOM 647 ND1 HIS A 41 -19.255 11.132 -6.035 1.00 0.00 N ATOM 648 CD2 HIS A 41 -20.205 9.578 -4.821 1.00 0.00 C ATOM 649 CE1 HIS A 41 -20.121 10.505 -6.806 1.00 0.00 C ATOM 650 NE2 HIS A 41 -20.708 9.561 -6.096 1.00 0.00 N ATOM 0 H HIS A 41 -18.087 8.646 -3.287 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.460 10.652 -4.475 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -18.930 10.924 -2.708 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -18.283 12.162 -3.766 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -20.489 8.925 -4.009 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -20.317 10.727 -7.845 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -21.423 8.920 -6.441 1.00 0.00 H new ATOM 659 N ASP A 42 -16.145 10.211 -1.317 1.00 0.00 N ATOM 660 CA ASP A 42 -15.566 10.697 -0.070 1.00 0.00 C ATOM 661 C ASP A 42 -14.220 10.045 0.228 1.00 0.00 C ATOM 662 O ASP A 42 -13.787 10.013 1.377 1.00 0.00 O ATOM 663 CB ASP A 42 -16.523 10.454 1.101 1.00 0.00 C ATOM 664 CG ASP A 42 -17.531 11.571 1.288 1.00 0.00 C ATOM 665 OD1 ASP A 42 -18.311 11.842 0.352 1.00 0.00 O ATOM 666 OD2 ASP A 42 -17.565 12.170 2.385 1.00 0.00 O ATOM 0 H ASP A 42 -16.428 9.231 -1.300 1.00 0.00 H new ATOM 0 HA ASP A 42 -15.404 11.768 -0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.055 9.516 0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -15.944 10.338 2.017 1.00 0.00 H new ATOM 671 N TYR A 43 -13.546 9.539 -0.800 1.00 0.00 N ATOM 672 CA TYR A 43 -12.276 8.852 -0.594 1.00 0.00 C ATOM 673 C TYR A 43 -11.217 9.812 -0.059 1.00 0.00 C ATOM 674 O TYR A 43 -10.429 9.456 0.813 1.00 0.00 O ATOM 675 CB TYR A 43 -11.809 8.194 -1.900 1.00 0.00 C ATOM 676 CG TYR A 43 -10.489 7.462 -1.799 1.00 0.00 C ATOM 677 CD1 TYR A 43 -10.430 6.182 -1.274 1.00 0.00 C ATOM 678 CD2 TYR A 43 -9.308 8.044 -2.248 1.00 0.00 C ATOM 679 CE1 TYR A 43 -9.233 5.498 -1.190 1.00 0.00 C ATOM 680 CE2 TYR A 43 -8.107 7.365 -2.166 1.00 0.00 C ATOM 681 CZ TYR A 43 -8.074 6.093 -1.637 1.00 0.00 C ATOM 682 OH TYR A 43 -6.880 5.415 -1.557 1.00 0.00 O ATOM 0 H TYR A 43 -13.853 9.590 -1.771 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.424 8.071 0.152 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -12.574 7.492 -2.232 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -11.726 8.962 -2.669 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.336 5.710 -0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.330 9.040 -2.666 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.206 4.501 -0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.197 7.830 -2.516 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.161 5.976 -1.916 1.00 0.00 H new ATOM 692 N HIS A 44 -11.226 11.043 -0.552 1.00 0.00 N ATOM 693 CA HIS A 44 -10.249 12.034 -0.116 1.00 0.00 C ATOM 694 C HIS A 44 -10.719 12.753 1.145 1.00 0.00 C ATOM 695 O HIS A 44 -10.042 13.647 1.651 1.00 0.00 O ATOM 696 CB HIS A 44 -9.958 13.045 -1.228 1.00 0.00 C ATOM 697 CG HIS A 44 -9.122 12.492 -2.342 1.00 0.00 C ATOM 698 ND1 HIS A 44 -7.747 12.578 -2.363 1.00 0.00 N ATOM 699 CD2 HIS A 44 -9.471 11.843 -3.479 1.00 0.00 C ATOM 700 CE1 HIS A 44 -7.287 12.009 -3.458 1.00 0.00 C ATOM 701 NE2 HIS A 44 -8.310 11.554 -4.153 1.00 0.00 N ATOM 0 H HIS A 44 -11.892 11.378 -1.248 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.325 11.504 0.117 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.903 13.403 -1.638 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.450 13.908 -0.798 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.474 11.599 -3.796 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.247 11.929 -3.739 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -8.249 11.066 -5.047 1.00 0.00 H new ATOM 710 N ASP A 45 -11.885 12.364 1.648 1.00 0.00 N ATOM 711 CA ASP A 45 -12.385 12.900 2.909 1.00 0.00 C ATOM 712 C ASP A 45 -11.956 11.995 4.054 1.00 0.00 C ATOM 713 O ASP A 45 -11.472 12.461 5.085 1.00 0.00 O ATOM 714 CB ASP A 45 -13.914 13.026 2.901 1.00 0.00 C ATOM 715 CG ASP A 45 -14.433 14.015 1.872 1.00 0.00 C ATOM 716 OD1 ASP A 45 -14.489 13.672 0.673 1.00 0.00 O ATOM 717 OD2 ASP A 45 -14.814 15.138 2.264 1.00 0.00 O ATOM 0 H ASP A 45 -12.500 11.682 1.204 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.964 13.897 3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.351 12.047 2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -14.251 13.333 3.891 1.00 0.00 H new ATOM 722 N ILE A 46 -12.125 10.691 3.857 1.00 0.00 N ATOM 723 CA ILE A 46 -11.747 9.701 4.856 1.00 0.00 C ATOM 724 C ILE A 46 -10.235 9.528 4.885 1.00 0.00 C ATOM 725 O ILE A 46 -9.624 9.482 5.953 1.00 0.00 O ATOM 726 CB ILE A 46 -12.424 8.326 4.584 1.00 0.00 C ATOM 727 CG1 ILE A 46 -13.885 8.320 5.028 1.00 0.00 C ATOM 728 CG2 ILE A 46 -11.689 7.178 5.269 1.00 0.00 C ATOM 729 CD1 ILE A 46 -14.806 9.188 4.199 1.00 0.00 C ATOM 0 H ILE A 46 -12.525 10.294 3.007 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.091 10.066 5.824 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.377 8.176 3.505 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.254 7.295 5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.936 8.649 6.066 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.197 6.239 5.051 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.665 7.130 4.900 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.679 7.344 6.346 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.821 9.119 4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.469 10.224 4.245 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.792 8.848 3.164 1.00 0.00 H new ATOM 741 N ILE A 47 -9.638 9.446 3.707 1.00 0.00 N ATOM 742 CA ILE A 47 -8.219 9.158 3.595 1.00 0.00 C ATOM 743 C ILE A 47 -7.409 10.443 3.484 1.00 0.00 C ATOM 744 O ILE A 47 -7.443 11.134 2.463 1.00 0.00 O ATOM 745 CB ILE A 47 -7.939 8.239 2.394 1.00 0.00 C ATOM 746 CG1 ILE A 47 -8.873 7.030 2.464 1.00 0.00 C ATOM 747 CG2 ILE A 47 -6.482 7.800 2.393 1.00 0.00 C ATOM 748 CD1 ILE A 47 -8.942 6.426 3.842 1.00 0.00 C ATOM 0 H ILE A 47 -10.115 9.575 2.815 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.911 8.639 4.503 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.124 8.780 1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.874 7.331 2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.534 6.273 1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.298 7.150 1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.838 8.677 2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.265 7.258 3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.619 5.572 3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.948 6.097 4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.309 7.171 4.548 1.00 0.00 H new ATOM 760 N LYS A 48 -6.691 10.764 4.551 1.00 0.00 N ATOM 761 CA LYS A 48 -5.919 11.995 4.620 1.00 0.00 C ATOM 762 C LYS A 48 -4.505 11.803 4.087 1.00 0.00 C ATOM 763 O LYS A 48 -3.847 12.762 3.688 1.00 0.00 O ATOM 764 CB LYS A 48 -5.868 12.490 6.059 1.00 0.00 C ATOM 765 CG LYS A 48 -7.192 13.057 6.543 1.00 0.00 C ATOM 766 CD LYS A 48 -7.549 14.336 5.803 1.00 0.00 C ATOM 767 CE LYS A 48 -9.017 14.672 5.941 1.00 0.00 C ATOM 768 NZ LYS A 48 -9.458 14.733 7.360 1.00 0.00 N ATOM 0 H LYS A 48 -6.628 10.183 5.387 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.413 12.737 3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.573 11.667 6.710 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.098 13.257 6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.981 12.319 6.399 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.135 13.257 7.613 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.949 15.160 6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.298 14.228 4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.213 15.631 5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.608 13.925 5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.425 15.113 7.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.441 13.777 7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.817 15.351 7.897 1.00 0.00 H new ATOM 782 N HIS A 49 -4.036 10.566 4.095 1.00 0.00 N ATOM 783 CA HIS A 49 -2.695 10.242 3.606 1.00 0.00 C ATOM 784 C HIS A 49 -2.735 9.181 2.498 1.00 0.00 C ATOM 785 O HIS A 49 -2.137 8.118 2.646 1.00 0.00 O ATOM 786 CB HIS A 49 -1.822 9.745 4.765 1.00 0.00 C ATOM 787 CG HIS A 49 -1.456 10.808 5.764 1.00 0.00 C ATOM 788 ND1 HIS A 49 -1.137 10.523 7.076 1.00 0.00 N ATOM 789 CD2 HIS A 49 -1.346 12.158 5.641 1.00 0.00 C ATOM 790 CE1 HIS A 49 -0.848 11.644 7.712 1.00 0.00 C ATOM 791 NE2 HIS A 49 -0.967 12.647 6.865 1.00 0.00 N ATOM 0 H HIS A 49 -4.563 9.762 4.436 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.268 11.152 3.185 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.348 8.942 5.282 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.907 9.316 4.357 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.524 12.737 4.747 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.562 11.725 8.750 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.803 13.630 7.085 1.00 0.00 H new ATOM 800 N PRO A 50 -3.421 9.456 1.365 1.00 0.00 N ATOM 801 CA PRO A 50 -3.563 8.483 0.269 1.00 0.00 C ATOM 802 C PRO A 50 -2.238 8.188 -0.430 1.00 0.00 C ATOM 803 O PRO A 50 -1.668 9.051 -1.102 1.00 0.00 O ATOM 804 CB PRO A 50 -4.532 9.163 -0.700 1.00 0.00 C ATOM 805 CG PRO A 50 -4.386 10.617 -0.423 1.00 0.00 C ATOM 806 CD PRO A 50 -4.102 10.726 1.051 1.00 0.00 C ATOM 0 HA PRO A 50 -3.913 7.518 0.636 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.284 8.931 -1.736 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.556 8.829 -0.535 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.575 11.048 -1.011 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.294 11.159 -0.688 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.471 11.586 1.276 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.019 10.843 1.629 1.00 0.00 H new ATOM 814 N MET A 51 -1.750 6.972 -0.265 1.00 0.00 N ATOM 815 CA MET A 51 -0.483 6.573 -0.847 1.00 0.00 C ATOM 816 C MET A 51 -0.605 5.205 -1.509 1.00 0.00 C ATOM 817 O MET A 51 -1.440 4.392 -1.117 1.00 0.00 O ATOM 818 CB MET A 51 0.614 6.570 0.230 1.00 0.00 C ATOM 819 CG MET A 51 1.967 6.050 -0.251 1.00 0.00 C ATOM 820 SD MET A 51 2.527 6.870 -1.761 1.00 0.00 S ATOM 821 CE MET A 51 2.469 8.582 -1.257 1.00 0.00 C ATOM 0 H MET A 51 -2.216 6.240 0.271 1.00 0.00 H new ATOM 0 HA MET A 51 -0.206 7.293 -1.617 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.741 7.585 0.605 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.281 5.959 1.069 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.709 6.196 0.534 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.898 4.977 -0.429 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.028 9.190 -1.968 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.432 8.918 -1.229 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.911 8.685 -0.266 1.00 0.00 H new ATOM 831 N ASP A 52 0.220 4.979 -2.519 1.00 0.00 N ATOM 832 CA ASP A 52 0.258 3.713 -3.237 1.00 0.00 C ATOM 833 C ASP A 52 1.703 3.331 -3.524 1.00 0.00 C ATOM 834 O ASP A 52 2.588 4.183 -3.464 1.00 0.00 O ATOM 835 CB ASP A 52 -0.524 3.806 -4.549 1.00 0.00 C ATOM 836 CG ASP A 52 0.021 4.886 -5.456 1.00 0.00 C ATOM 837 OD1 ASP A 52 0.848 4.579 -6.337 1.00 0.00 O ATOM 838 OD2 ASP A 52 -0.368 6.060 -5.280 1.00 0.00 O ATOM 0 H ASP A 52 0.885 5.670 -2.866 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.206 2.948 -2.615 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.485 2.846 -5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.573 4.009 -4.333 1.00 0.00 H new ATOM 843 N LEU A 53 1.946 2.073 -3.851 1.00 0.00 N ATOM 844 CA LEU A 53 3.311 1.586 -4.048 1.00 0.00 C ATOM 845 C LEU A 53 4.006 2.274 -5.218 1.00 0.00 C ATOM 846 O LEU A 53 5.207 2.551 -5.158 1.00 0.00 O ATOM 847 CB LEU A 53 3.311 0.073 -4.231 1.00 0.00 C ATOM 848 CG LEU A 53 3.153 -0.713 -2.934 1.00 0.00 C ATOM 849 CD1 LEU A 53 2.873 -2.163 -3.238 1.00 0.00 C ATOM 850 CD2 LEU A 53 4.395 -0.583 -2.076 1.00 0.00 C ATOM 0 H LEU A 53 1.222 1.368 -3.987 1.00 0.00 H new ATOM 0 HA LEU A 53 3.880 1.834 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.502 -0.200 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.243 -0.224 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 53 2.310 -0.301 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.762 -2.715 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.954 -2.242 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.701 -2.581 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.262 -1.151 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.256 -0.971 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.562 0.467 -1.834 1.00 0.00 H new ATOM 862 N SER A 54 3.252 2.575 -6.261 1.00 0.00 N ATOM 863 CA SER A 54 3.813 3.242 -7.428 1.00 0.00 C ATOM 864 C SER A 54 4.309 4.648 -7.065 1.00 0.00 C ATOM 865 O SER A 54 5.377 5.068 -7.513 1.00 0.00 O ATOM 866 CB SER A 54 2.786 3.293 -8.567 1.00 0.00 C ATOM 867 OG SER A 54 3.173 4.206 -9.580 1.00 0.00 O ATOM 0 H SER A 54 2.255 2.370 -6.326 1.00 0.00 H new ATOM 0 HA SER A 54 4.671 2.665 -7.775 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.671 2.298 -8.998 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.814 3.582 -8.168 1.00 0.00 H new ATOM 0 HG SER A 54 2.498 4.212 -10.290 1.00 0.00 H new ATOM 873 N THR A 55 3.548 5.363 -6.241 1.00 0.00 N ATOM 874 CA THR A 55 3.948 6.693 -5.791 1.00 0.00 C ATOM 875 C THR A 55 5.087 6.610 -4.779 1.00 0.00 C ATOM 876 O THR A 55 5.946 7.490 -4.734 1.00 0.00 O ATOM 877 CB THR A 55 2.777 7.475 -5.177 1.00 0.00 C ATOM 878 OG1 THR A 55 1.652 7.431 -6.061 1.00 0.00 O ATOM 879 CG2 THR A 55 3.173 8.921 -4.967 1.00 0.00 C ATOM 0 H THR A 55 2.652 5.044 -5.872 1.00 0.00 H new ATOM 0 HA THR A 55 4.288 7.229 -6.677 1.00 0.00 H new ATOM 0 HB THR A 55 2.518 7.022 -4.220 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.838 7.248 -5.546 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.337 9.468 -4.531 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.029 8.970 -4.293 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.439 9.368 -5.925 1.00 0.00 H new ATOM 887 N VAL A 56 5.100 5.553 -3.976 1.00 0.00 N ATOM 888 CA VAL A 56 6.199 5.331 -3.044 1.00 0.00 C ATOM 889 C VAL A 56 7.499 5.202 -3.818 1.00 0.00 C ATOM 890 O VAL A 56 8.508 5.823 -3.483 1.00 0.00 O ATOM 891 CB VAL A 56 5.987 4.063 -2.192 1.00 0.00 C ATOM 892 CG1 VAL A 56 7.202 3.791 -1.318 1.00 0.00 C ATOM 893 CG2 VAL A 56 4.743 4.205 -1.335 1.00 0.00 C ATOM 0 H VAL A 56 4.369 4.842 -3.951 1.00 0.00 H new ATOM 0 HA VAL A 56 6.239 6.186 -2.369 1.00 0.00 H new ATOM 0 HB VAL A 56 5.853 3.217 -2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.030 2.892 -0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.079 3.648 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.368 4.638 -0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.607 3.302 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.854 5.064 -0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.874 4.351 -1.977 1.00 0.00 H new ATOM 903 N LYS A 57 7.447 4.409 -4.875 1.00 0.00 N ATOM 904 CA LYS A 57 8.591 4.216 -5.742 1.00 0.00 C ATOM 905 C LYS A 57 8.930 5.517 -6.445 1.00 0.00 C ATOM 906 O LYS A 57 10.091 5.887 -6.559 1.00 0.00 O ATOM 907 CB LYS A 57 8.299 3.134 -6.776 1.00 0.00 C ATOM 908 CG LYS A 57 9.434 2.144 -6.932 1.00 0.00 C ATOM 909 CD LYS A 57 9.180 1.160 -8.054 1.00 0.00 C ATOM 910 CE LYS A 57 10.224 0.064 -8.036 1.00 0.00 C ATOM 911 NZ LYS A 57 10.113 -0.838 -9.211 1.00 0.00 N ATOM 0 H LYS A 57 6.617 3.886 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 57 9.439 3.901 -5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.394 2.599 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.099 3.604 -7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.361 2.683 -7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.571 1.600 -5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.186 0.726 -7.949 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.202 1.677 -9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.218 0.512 -8.017 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.120 -0.520 -7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.848 -1.572 -9.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.175 -1.287 -9.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.239 -0.288 -10.084 1.00 0.00 H new ATOM 925 N ARG A 58 7.892 6.203 -6.898 1.00 0.00 N ATOM 926 CA ARG A 58 8.027 7.496 -7.558 1.00 0.00 C ATOM 927 C ARG A 58 8.806 8.479 -6.687 1.00 0.00 C ATOM 928 O ARG A 58 9.771 9.102 -7.135 1.00 0.00 O ATOM 929 CB ARG A 58 6.632 8.043 -7.844 1.00 0.00 C ATOM 930 CG ARG A 58 6.608 9.385 -8.552 1.00 0.00 C ATOM 931 CD ARG A 58 5.183 9.853 -8.762 1.00 0.00 C ATOM 932 NE ARG A 58 5.109 11.163 -9.403 1.00 0.00 N ATOM 933 CZ ARG A 58 3.968 11.729 -9.799 1.00 0.00 C ATOM 934 NH1 ARG A 58 2.822 11.068 -9.684 1.00 0.00 N ATOM 935 NH2 ARG A 58 3.974 12.947 -10.328 1.00 0.00 N ATOM 0 H ARG A 58 6.928 5.879 -6.819 1.00 0.00 H new ATOM 0 HA ARG A 58 8.580 7.367 -8.488 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.090 7.318 -8.451 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.093 8.136 -6.901 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.155 10.122 -7.964 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.115 9.304 -9.513 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.652 9.123 -9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.673 9.895 -7.800 1.00 0.00 H new ATOM 0 HE ARG A 58 5.978 11.674 -9.556 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.814 10.126 -9.292 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.950 11.502 -9.987 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.853 13.453 -10.433 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.099 13.376 -10.630 1.00 0.00 H new ATOM 949 N LYS A 59 8.389 8.599 -5.436 1.00 0.00 N ATOM 950 CA LYS A 59 9.030 9.511 -4.501 1.00 0.00 C ATOM 951 C LYS A 59 10.407 8.987 -4.092 1.00 0.00 C ATOM 952 O LYS A 59 11.325 9.766 -3.825 1.00 0.00 O ATOM 953 CB LYS A 59 8.136 9.726 -3.280 1.00 0.00 C ATOM 954 CG LYS A 59 6.834 10.444 -3.608 1.00 0.00 C ATOM 955 CD LYS A 59 5.811 10.357 -2.472 1.00 0.00 C ATOM 956 CE LYS A 59 6.385 10.788 -1.125 1.00 0.00 C ATOM 957 NZ LYS A 59 6.564 9.630 -0.208 1.00 0.00 N ATOM 0 H LYS A 59 7.607 8.075 -5.044 1.00 0.00 H new ATOM 0 HA LYS A 59 9.175 10.473 -4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.907 8.760 -2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.683 10.303 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.045 11.492 -3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.404 10.014 -4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.953 10.984 -2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.446 9.333 -2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.344 11.282 -1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.721 11.519 -0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.018 9.950 0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.636 9.215 0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.163 8.914 -0.666 1.00 0.00 H new ATOM 971 N MET A 60 10.545 7.665 -4.045 1.00 0.00 N ATOM 972 CA MET A 60 11.847 7.036 -3.828 1.00 0.00 C ATOM 973 C MET A 60 12.798 7.381 -4.973 1.00 0.00 C ATOM 974 O MET A 60 13.983 7.630 -4.753 1.00 0.00 O ATOM 975 CB MET A 60 11.713 5.511 -3.714 1.00 0.00 C ATOM 976 CG MET A 60 13.041 4.797 -3.516 1.00 0.00 C ATOM 977 SD MET A 60 12.953 3.057 -3.967 1.00 0.00 S ATOM 978 CE MET A 60 11.564 2.545 -2.968 1.00 0.00 C ATOM 0 H MET A 60 9.773 7.008 -4.154 1.00 0.00 H new ATOM 0 HA MET A 60 12.251 7.420 -2.891 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.054 5.274 -2.879 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.235 5.128 -4.616 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.808 5.287 -4.116 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.347 4.885 -2.473 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.652 1.483 -2.739 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.553 3.117 -2.040 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.638 2.722 -3.515 1.00 0.00 H new ATOM 988 N GLU A 61 12.268 7.409 -6.195 1.00 0.00 N ATOM 989 CA GLU A 61 13.066 7.745 -7.371 1.00 0.00 C ATOM 990 C GLU A 61 13.499 9.200 -7.336 1.00 0.00 C ATOM 991 O GLU A 61 14.575 9.551 -7.816 1.00 0.00 O ATOM 992 CB GLU A 61 12.280 7.476 -8.650 1.00 0.00 C ATOM 993 CG GLU A 61 12.083 6.001 -8.940 1.00 0.00 C ATOM 994 CD GLU A 61 11.432 5.758 -10.279 1.00 0.00 C ATOM 995 OE1 GLU A 61 10.256 6.131 -10.452 1.00 0.00 O ATOM 996 OE2 GLU A 61 12.090 5.177 -11.169 1.00 0.00 O ATOM 0 H GLU A 61 11.289 7.203 -6.395 1.00 0.00 H new ATOM 0 HA GLU A 61 13.955 7.114 -7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.305 7.957 -8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.799 7.937 -9.490 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.049 5.496 -8.912 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.469 5.558 -8.155 1.00 0.00 H new ATOM 1003 N ASN A 62 12.663 10.040 -6.748 1.00 0.00 N ATOM 1004 CA ASN A 62 12.979 11.457 -6.599 1.00 0.00 C ATOM 1005 C ASN A 62 13.905 11.645 -5.409 1.00 0.00 C ATOM 1006 O ASN A 62 14.340 12.756 -5.101 1.00 0.00 O ATOM 1007 CB ASN A 62 11.705 12.289 -6.419 1.00 0.00 C ATOM 1008 CG ASN A 62 10.926 12.486 -7.711 1.00 0.00 C ATOM 1009 OD1 ASN A 62 10.225 13.485 -7.874 1.00 0.00 O ATOM 1010 ND2 ASN A 62 11.035 11.543 -8.635 1.00 0.00 N ATOM 0 H ASN A 62 11.758 9.768 -6.364 1.00 0.00 H new ATOM 0 HA ASN A 62 13.477 11.802 -7.505 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.062 11.802 -5.686 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.971 13.264 -6.011 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.529 11.631 -9.516 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.625 10.729 -8.465 1.00 0.00 H new ATOM 1017 N ARG A 63 14.189 10.519 -4.755 1.00 0.00 N ATOM 1018 CA ARG A 63 15.123 10.438 -3.642 1.00 0.00 C ATOM 1019 C ARG A 63 14.719 11.361 -2.505 1.00 0.00 C ATOM 1020 O ARG A 63 15.565 11.930 -1.818 1.00 0.00 O ATOM 1021 CB ARG A 63 16.540 10.742 -4.124 1.00 0.00 C ATOM 1022 CG ARG A 63 16.939 9.922 -5.337 1.00 0.00 C ATOM 1023 CD ARG A 63 17.108 8.446 -5.005 1.00 0.00 C ATOM 1024 NE ARG A 63 17.045 7.605 -6.204 1.00 0.00 N ATOM 1025 CZ ARG A 63 17.967 7.592 -7.172 1.00 0.00 C ATOM 1026 NH1 ARG A 63 19.041 8.373 -7.101 1.00 0.00 N ATOM 1027 NH2 ARG A 63 17.809 6.790 -8.216 1.00 0.00 N ATOM 0 H ARG A 63 13.766 9.622 -4.992 1.00 0.00 H new ATOM 0 HA ARG A 63 15.099 9.421 -3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.616 11.802 -4.367 1.00 0.00 H new ATOM 0 HB3 ARG A 63 17.243 10.549 -3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.182 10.033 -6.113 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.873 10.310 -5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 63 18.064 8.294 -4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.330 8.140 -4.306 1.00 0.00 H new ATOM 0 HE ARG A 63 16.241 6.986 -6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.169 8.992 -6.301 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.736 8.353 -7.847 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.988 6.188 -8.277 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.509 6.775 -8.958 1.00 0.00 H new ATOM 1041 N ASP A 64 13.415 11.498 -2.312 1.00 0.00 N ATOM 1042 CA ASP A 64 12.889 12.243 -1.171 1.00 0.00 C ATOM 1043 C ASP A 64 13.092 11.450 0.109 1.00 0.00 C ATOM 1044 O ASP A 64 13.133 12.006 1.206 1.00 0.00 O ATOM 1045 CB ASP A 64 11.404 12.559 -1.353 1.00 0.00 C ATOM 1046 CG ASP A 64 11.175 13.808 -2.173 1.00 0.00 C ATOM 1047 OD1 ASP A 64 10.974 13.697 -3.398 1.00 0.00 O ATOM 1048 OD2 ASP A 64 11.195 14.914 -1.592 1.00 0.00 O ATOM 0 H ASP A 64 12.702 11.106 -2.927 1.00 0.00 H new ATOM 0 HA ASP A 64 13.434 13.185 -1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.913 11.715 -1.837 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.939 12.680 -0.375 1.00 0.00 H new ATOM 1053 N TYR A 65 13.232 10.144 -0.049 1.00 0.00 N ATOM 1054 CA TYR A 65 13.445 9.246 1.074 1.00 0.00 C ATOM 1055 C TYR A 65 14.912 9.274 1.464 1.00 0.00 C ATOM 1056 O TYR A 65 15.783 9.405 0.603 1.00 0.00 O ATOM 1057 CB TYR A 65 13.052 7.808 0.706 1.00 0.00 C ATOM 1058 CG TYR A 65 11.598 7.609 0.325 1.00 0.00 C ATOM 1059 CD1 TYR A 65 10.966 6.395 0.555 1.00 0.00 C ATOM 1060 CD2 TYR A 65 10.860 8.623 -0.265 1.00 0.00 C ATOM 1061 CE1 TYR A 65 9.641 6.206 0.208 1.00 0.00 C ATOM 1062 CE2 TYR A 65 9.544 8.439 -0.611 1.00 0.00 C ATOM 1063 CZ TYR A 65 8.938 7.234 -0.374 1.00 0.00 C ATOM 1064 OH TYR A 65 7.619 7.063 -0.718 1.00 0.00 O ATOM 0 H TYR A 65 13.201 9.678 -0.956 1.00 0.00 H new ATOM 0 HA TYR A 65 12.824 9.577 1.906 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.676 7.480 -0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.281 7.159 1.551 1.00 0.00 H new ATOM 0 HD1 TYR A 65 11.517 5.586 1.012 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.329 9.577 -0.456 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.161 5.256 0.393 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.988 9.243 -1.069 1.00 0.00 H new ATOM 0 HH TYR A 65 7.190 6.457 -0.079 1.00 0.00 H new ATOM 1074 N ARG A 66 15.190 9.186 2.750 1.00 0.00 N ATOM 1075 CA ARG A 66 16.556 9.126 3.217 1.00 0.00 C ATOM 1076 C ARG A 66 16.877 7.729 3.742 1.00 0.00 C ATOM 1077 O ARG A 66 18.025 7.282 3.683 1.00 0.00 O ATOM 1078 CB ARG A 66 16.771 10.197 4.302 1.00 0.00 C ATOM 1079 CG ARG A 66 18.030 10.040 5.162 1.00 0.00 C ATOM 1080 CD ARG A 66 19.327 10.366 4.422 1.00 0.00 C ATOM 1081 NE ARG A 66 19.108 11.088 3.166 1.00 0.00 N ATOM 1082 CZ ARG A 66 20.079 11.657 2.455 1.00 0.00 C ATOM 1083 NH1 ARG A 66 21.343 11.556 2.847 1.00 0.00 N ATOM 1084 NH2 ARG A 66 19.782 12.326 1.351 1.00 0.00 N ATOM 0 H ARG A 66 14.486 9.155 3.488 1.00 0.00 H new ATOM 0 HA ARG A 66 17.235 9.329 2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 66 16.805 11.173 3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 66 15.903 10.197 4.961 1.00 0.00 H new ATOM 0 HG2 ARG A 66 17.947 10.689 6.033 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.081 9.016 5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 66 19.968 10.964 5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 66 19.861 9.439 4.213 1.00 0.00 H new ATOM 0 HE ARG A 66 18.153 11.159 2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 66 21.574 11.041 3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 66 22.083 11.994 2.299 1.00 0.00 H new ATOM 0 HH21 ARG A 66 18.811 12.404 1.048 1.00 0.00 H new ATOM 0 HH22 ARG A 66 20.524 12.763 0.804 1.00 0.00 H new ATOM 1098 N ASP A 67 15.855 7.025 4.227 1.00 0.00 N ATOM 1099 CA ASP A 67 16.052 5.710 4.813 1.00 0.00 C ATOM 1100 C ASP A 67 14.885 4.805 4.463 1.00 0.00 C ATOM 1101 O ASP A 67 13.828 5.272 4.030 1.00 0.00 O ATOM 1102 CB ASP A 67 16.186 5.803 6.337 1.00 0.00 C ATOM 1103 CG ASP A 67 17.464 6.473 6.785 1.00 0.00 C ATOM 1104 OD1 ASP A 67 17.403 7.649 7.206 1.00 0.00 O ATOM 1105 OD2 ASP A 67 18.532 5.828 6.730 1.00 0.00 O ATOM 0 H ASP A 67 14.887 7.346 4.224 1.00 0.00 H new ATOM 0 HA ASP A 67 16.974 5.293 4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.335 6.355 6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.142 4.800 6.761 1.00 0.00 H new ATOM 1110 N ALA A 68 15.071 3.512 4.672 1.00 0.00 N ATOM 1111 CA ALA A 68 14.040 2.532 4.373 1.00 0.00 C ATOM 1112 C ALA A 68 12.913 2.631 5.383 1.00 0.00 C ATOM 1113 O ALA A 68 11.822 2.111 5.165 1.00 0.00 O ATOM 1114 CB ALA A 68 14.619 1.137 4.381 1.00 0.00 C ATOM 0 H ALA A 68 15.931 3.115 5.050 1.00 0.00 H new ATOM 0 HA ALA A 68 13.644 2.741 3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.834 0.416 4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.405 1.065 3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.037 0.922 5.364 1.00 0.00 H new ATOM 1120 N GLN A 69 13.188 3.297 6.491 1.00 0.00 N ATOM 1121 CA GLN A 69 12.176 3.531 7.497 1.00 0.00 C ATOM 1122 C GLN A 69 11.143 4.504 6.952 1.00 0.00 C ATOM 1123 O GLN A 69 9.947 4.347 7.177 1.00 0.00 O ATOM 1124 CB GLN A 69 12.785 4.089 8.779 1.00 0.00 C ATOM 1125 CG GLN A 69 11.778 4.199 9.905 1.00 0.00 C ATOM 1126 CD GLN A 69 11.396 2.848 10.477 1.00 0.00 C ATOM 1127 OE1 GLN A 69 10.449 2.207 10.016 1.00 0.00 O ATOM 1128 NE2 GLN A 69 12.128 2.408 11.484 1.00 0.00 N ATOM 0 H GLN A 69 14.105 3.684 6.714 1.00 0.00 H new ATOM 0 HA GLN A 69 11.703 2.579 7.738 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.608 3.448 9.094 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.207 5.073 8.577 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.191 4.822 10.698 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.882 4.701 9.539 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.903 2.970 11.835 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.918 1.506 11.911 1.00 0.00 H new ATOM 1137 N GLU A 70 11.621 5.501 6.213 1.00 0.00 N ATOM 1138 CA GLU A 70 10.743 6.457 5.565 1.00 0.00 C ATOM 1139 C GLU A 70 9.931 5.771 4.482 1.00 0.00 C ATOM 1140 O GLU A 70 8.777 6.123 4.235 1.00 0.00 O ATOM 1141 CB GLU A 70 11.537 7.620 4.986 1.00 0.00 C ATOM 1142 CG GLU A 70 12.068 8.562 6.045 1.00 0.00 C ATOM 1143 CD GLU A 70 12.769 9.751 5.441 1.00 0.00 C ATOM 1144 OE1 GLU A 70 13.959 9.622 5.109 1.00 0.00 O ATOM 1145 OE2 GLU A 70 12.130 10.814 5.290 1.00 0.00 O ATOM 0 H GLU A 70 12.615 5.664 6.051 1.00 0.00 H new ATOM 0 HA GLU A 70 10.059 6.858 6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.372 7.229 4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.903 8.178 4.297 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.244 8.906 6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.759 8.025 6.695 1.00 0.00 H new ATOM 1152 N PHE A 71 10.540 4.781 3.843 1.00 0.00 N ATOM 1153 CA PHE A 71 9.822 3.933 2.906 1.00 0.00 C ATOM 1154 C PHE A 71 8.746 3.151 3.641 1.00 0.00 C ATOM 1155 O PHE A 71 7.577 3.184 3.260 1.00 0.00 O ATOM 1156 CB PHE A 71 10.771 2.965 2.187 1.00 0.00 C ATOM 1157 CG PHE A 71 10.083 1.720 1.682 1.00 0.00 C ATOM 1158 CD1 PHE A 71 9.426 1.718 0.465 1.00 0.00 C ATOM 1159 CD2 PHE A 71 10.094 0.552 2.431 1.00 0.00 C ATOM 1160 CE1 PHE A 71 8.794 0.578 0.004 1.00 0.00 C ATOM 1161 CE2 PHE A 71 9.463 -0.586 1.977 1.00 0.00 C ATOM 1162 CZ PHE A 71 8.812 -0.576 0.761 1.00 0.00 C ATOM 0 H PHE A 71 11.526 4.547 3.957 1.00 0.00 H new ATOM 0 HA PHE A 71 9.361 4.574 2.154 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.237 3.480 1.347 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.572 2.678 2.869 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.406 2.618 -0.132 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.604 0.534 3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.286 0.590 -0.949 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.478 -1.486 2.574 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.318 -1.467 0.403 1.00 0.00 H new ATOM 1172 N ALA A 72 9.158 2.448 4.699 1.00 0.00 N ATOM 1173 CA ALA A 72 8.245 1.669 5.513 1.00 0.00 C ATOM 1174 C ALA A 72 7.098 2.537 5.987 1.00 0.00 C ATOM 1175 O ALA A 72 5.948 2.115 5.977 1.00 0.00 O ATOM 1176 CB ALA A 72 8.983 1.050 6.693 1.00 0.00 C ATOM 0 H ALA A 72 10.129 2.408 5.007 1.00 0.00 H new ATOM 0 HA ALA A 72 7.835 0.860 4.908 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.284 0.468 7.295 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.775 0.398 6.325 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.418 1.840 7.305 1.00 0.00 H new ATOM 1182 N ALA A 73 7.428 3.760 6.368 1.00 0.00 N ATOM 1183 CA ALA A 73 6.447 4.743 6.785 1.00 0.00 C ATOM 1184 C ALA A 73 5.400 4.978 5.697 1.00 0.00 C ATOM 1185 O ALA A 73 4.200 4.977 5.971 1.00 0.00 O ATOM 1186 CB ALA A 73 7.158 6.039 7.136 1.00 0.00 C ATOM 0 H ALA A 73 8.390 4.099 6.396 1.00 0.00 H new ATOM 0 HA ALA A 73 5.922 4.367 7.663 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.425 6.782 7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.863 5.859 7.947 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.696 6.407 6.262 1.00 0.00 H new ATOM 1192 N ASP A 74 5.861 5.149 4.464 1.00 0.00 N ATOM 1193 CA ASP A 74 4.981 5.432 3.338 1.00 0.00 C ATOM 1194 C ASP A 74 4.121 4.222 2.981 1.00 0.00 C ATOM 1195 O ASP A 74 2.897 4.325 2.865 1.00 0.00 O ATOM 1196 CB ASP A 74 5.816 5.840 2.126 1.00 0.00 C ATOM 1197 CG ASP A 74 5.769 7.329 1.834 1.00 0.00 C ATOM 1198 OD1 ASP A 74 4.858 7.775 1.108 1.00 0.00 O ATOM 1199 OD2 ASP A 74 6.666 8.058 2.302 1.00 0.00 O ATOM 0 H ASP A 74 6.849 5.096 4.218 1.00 0.00 H new ATOM 0 HA ASP A 74 4.316 6.246 3.626 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.852 5.542 2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.463 5.294 1.251 1.00 0.00 H new ATOM 1204 N VAL A 75 4.764 3.071 2.818 1.00 0.00 N ATOM 1205 CA VAL A 75 4.068 1.858 2.394 1.00 0.00 C ATOM 1206 C VAL A 75 3.079 1.374 3.458 1.00 0.00 C ATOM 1207 O VAL A 75 1.956 0.976 3.138 1.00 0.00 O ATOM 1208 CB VAL A 75 5.061 0.725 2.025 1.00 0.00 C ATOM 1209 CG1 VAL A 75 6.104 0.521 3.107 1.00 0.00 C ATOM 1210 CG2 VAL A 75 4.334 -0.582 1.756 1.00 0.00 C ATOM 0 H VAL A 75 5.765 2.951 2.972 1.00 0.00 H new ATOM 0 HA VAL A 75 3.504 2.118 1.498 1.00 0.00 H new ATOM 0 HB VAL A 75 5.569 1.036 1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.782 -0.281 2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.670 1.442 3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.611 0.255 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.058 -1.355 1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.783 -0.882 2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.639 -0.448 0.927 1.00 0.00 H new ATOM 1220 N ARG A 76 3.481 1.432 4.725 1.00 0.00 N ATOM 1221 CA ARG A 76 2.620 0.972 5.807 1.00 0.00 C ATOM 1222 C ARG A 76 1.435 1.919 5.981 1.00 0.00 C ATOM 1223 O ARG A 76 0.357 1.509 6.413 1.00 0.00 O ATOM 1224 CB ARG A 76 3.409 0.849 7.113 1.00 0.00 C ATOM 1225 CG ARG A 76 3.640 2.178 7.819 1.00 0.00 C ATOM 1226 CD ARG A 76 4.631 2.048 8.960 1.00 0.00 C ATOM 1227 NE ARG A 76 4.978 3.352 9.523 1.00 0.00 N ATOM 1228 CZ ARG A 76 6.169 3.649 10.037 1.00 0.00 C ATOM 1229 NH1 ARG A 76 7.125 2.727 10.099 1.00 0.00 N ATOM 1230 NH2 ARG A 76 6.402 4.867 10.500 1.00 0.00 N ATOM 0 H ARG A 76 4.388 1.789 5.024 1.00 0.00 H new ATOM 0 HA ARG A 76 2.239 -0.016 5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.876 0.178 7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.374 0.388 6.902 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.007 2.911 7.101 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.692 2.555 8.203 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.208 1.415 9.740 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.534 1.553 8.603 1.00 0.00 H new ATOM 0 HE ARG A 76 4.263 4.079 9.522 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.948 1.785 9.751 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.035 2.962 10.494 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.669 5.576 10.462 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.314 5.097 10.894 1.00 0.00 H new ATOM 1244 N LEU A 77 1.644 3.188 5.631 1.00 0.00 N ATOM 1245 CA LEU A 77 0.578 4.177 5.651 1.00 0.00 C ATOM 1246 C LEU A 77 -0.521 3.758 4.689 1.00 0.00 C ATOM 1247 O LEU A 77 -1.704 3.829 5.009 1.00 0.00 O ATOM 1248 CB LEU A 77 1.123 5.546 5.249 1.00 0.00 C ATOM 1249 CG LEU A 77 0.738 6.705 6.164 1.00 0.00 C ATOM 1250 CD1 LEU A 77 1.209 8.014 5.566 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -0.763 6.725 6.420 1.00 0.00 C ATOM 0 H LEU A 77 2.548 3.552 5.330 1.00 0.00 H new ATOM 0 HA LEU A 77 0.171 4.243 6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.211 5.486 5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.777 5.773 4.241 1.00 0.00 H new ATOM 0 HG LEU A 77 1.230 6.567 7.127 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.930 8.836 6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.293 7.992 5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.743 8.157 4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.009 7.561 7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.292 6.837 5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.064 5.791 6.895 1.00 0.00 H new ATOM 1263 N MET A 78 -0.110 3.296 3.516 1.00 0.00 N ATOM 1264 CA MET A 78 -1.044 2.814 2.510 1.00 0.00 C ATOM 1265 C MET A 78 -1.901 1.670 3.061 1.00 0.00 C ATOM 1266 O MET A 78 -3.130 1.702 2.947 1.00 0.00 O ATOM 1267 CB MET A 78 -0.280 2.388 1.250 1.00 0.00 C ATOM 1268 CG MET A 78 -1.117 1.614 0.247 1.00 0.00 C ATOM 1269 SD MET A 78 -0.921 -0.166 0.427 1.00 0.00 S ATOM 1270 CE MET A 78 0.775 -0.380 -0.113 1.00 0.00 C ATOM 0 H MET A 78 0.870 3.245 3.238 1.00 0.00 H new ATOM 0 HA MET A 78 -1.722 3.624 2.242 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.120 3.277 0.763 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.572 1.776 1.545 1.00 0.00 H new ATOM 0 HG2 MET A 78 -2.167 1.877 0.373 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.834 1.909 -0.764 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.868 -1.320 -0.657 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.056 0.446 -0.766 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.434 -0.397 0.755 1.00 0.00 H new ATOM 1280 N PHE A 79 -1.260 0.678 3.682 1.00 0.00 N ATOM 1281 CA PHE A 79 -2.001 -0.421 4.308 1.00 0.00 C ATOM 1282 C PHE A 79 -2.941 0.109 5.394 1.00 0.00 C ATOM 1283 O PHE A 79 -4.078 -0.353 5.538 1.00 0.00 O ATOM 1284 CB PHE A 79 -1.062 -1.476 4.904 1.00 0.00 C ATOM 1285 CG PHE A 79 -0.196 -2.167 3.891 1.00 0.00 C ATOM 1286 CD1 PHE A 79 -0.752 -2.747 2.760 1.00 0.00 C ATOM 1287 CD2 PHE A 79 1.172 -2.247 4.074 1.00 0.00 C ATOM 1288 CE1 PHE A 79 0.044 -3.385 1.829 1.00 0.00 C ATOM 1289 CE2 PHE A 79 1.973 -2.885 3.149 1.00 0.00 C ATOM 1290 CZ PHE A 79 1.411 -3.454 2.024 1.00 0.00 C ATOM 0 H PHE A 79 -0.246 0.611 3.765 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.590 -0.897 3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.423 -1.000 5.648 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.658 -2.224 5.427 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.820 -2.699 2.606 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.619 -1.805 4.952 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.400 -3.829 0.951 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.040 -2.939 3.305 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.037 -3.952 1.298 1.00 0.00 H new ATOM 1300 N SER A 80 -2.463 1.100 6.142 1.00 0.00 N ATOM 1301 CA SER A 80 -3.248 1.720 7.203 1.00 0.00 C ATOM 1302 C SER A 80 -4.504 2.383 6.640 1.00 0.00 C ATOM 1303 O SER A 80 -5.569 2.332 7.256 1.00 0.00 O ATOM 1304 CB SER A 80 -2.394 2.748 7.952 1.00 0.00 C ATOM 1305 OG SER A 80 -1.233 2.138 8.498 1.00 0.00 O ATOM 0 H SER A 80 -1.528 1.493 6.031 1.00 0.00 H new ATOM 0 HA SER A 80 -3.561 0.941 7.898 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.104 3.550 7.273 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.981 3.203 8.750 1.00 0.00 H new ATOM 0 HG SER A 80 -0.623 1.889 7.773 1.00 0.00 H new ATOM 1311 N ASN A 81 -4.374 2.990 5.463 1.00 0.00 N ATOM 1312 CA ASN A 81 -5.495 3.658 4.802 1.00 0.00 C ATOM 1313 C ASN A 81 -6.576 2.663 4.420 1.00 0.00 C ATOM 1314 O ASN A 81 -7.761 2.982 4.457 1.00 0.00 O ATOM 1315 CB ASN A 81 -5.023 4.400 3.552 1.00 0.00 C ATOM 1316 CG ASN A 81 -4.081 5.535 3.871 1.00 0.00 C ATOM 1317 OD1 ASN A 81 -4.242 6.233 4.872 1.00 0.00 O ATOM 1318 ND2 ASN A 81 -3.075 5.709 3.038 1.00 0.00 N ATOM 0 H ASN A 81 -3.497 3.034 4.943 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.911 4.376 5.509 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.526 3.697 2.883 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.889 4.791 3.017 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.391 6.446 3.211 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.980 5.107 2.220 1.00 0.00 H new ATOM 1325 N CYS A 82 -6.164 1.457 4.058 1.00 0.00 N ATOM 1326 CA CYS A 82 -7.129 0.409 3.706 1.00 0.00 C ATOM 1327 C CYS A 82 -7.978 0.042 4.914 1.00 0.00 C ATOM 1328 O CYS A 82 -9.199 -0.022 4.815 1.00 0.00 O ATOM 1329 CB CYS A 82 -6.463 -0.851 3.124 1.00 0.00 C ATOM 1330 SG CYS A 82 -7.580 -2.261 2.980 1.00 0.00 S ATOM 0 H CYS A 82 -5.185 1.176 3.999 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.765 0.822 2.923 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.060 -0.616 2.139 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -5.619 -1.130 3.755 1.00 0.00 H new ATOM 0 HG CYS A 82 -8.766 -1.843 2.650 1.00 0.00 H new ATOM 1336 N TYR A 83 -7.341 -0.173 6.064 1.00 0.00 N ATOM 1337 CA TYR A 83 -8.092 -0.473 7.284 1.00 0.00 C ATOM 1338 C TYR A 83 -8.852 0.765 7.752 1.00 0.00 C ATOM 1339 O TYR A 83 -9.817 0.675 8.510 1.00 0.00 O ATOM 1340 CB TYR A 83 -7.177 -0.947 8.419 1.00 0.00 C ATOM 1341 CG TYR A 83 -6.289 -2.128 8.074 1.00 0.00 C ATOM 1342 CD1 TYR A 83 -6.779 -3.201 7.340 1.00 0.00 C ATOM 1343 CD2 TYR A 83 -4.958 -2.176 8.497 1.00 0.00 C ATOM 1344 CE1 TYR A 83 -5.976 -4.284 7.037 1.00 0.00 C ATOM 1345 CE2 TYR A 83 -4.156 -3.256 8.197 1.00 0.00 C ATOM 1346 CZ TYR A 83 -4.666 -4.306 7.469 1.00 0.00 C ATOM 1347 OH TYR A 83 -3.862 -5.380 7.167 1.00 0.00 O ATOM 0 H TYR A 83 -6.328 -0.146 6.178 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.788 -1.276 7.041 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.545 -0.114 8.728 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.795 -1.214 9.276 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.804 -3.188 7.001 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.552 -1.354 9.068 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.372 -5.110 6.464 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.130 -3.278 8.533 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.969 -5.237 7.545 1.00 0.00 H new ATOM 1357 N LYS A 84 -8.393 1.923 7.305 1.00 0.00 N ATOM 1358 CA LYS A 84 -8.984 3.192 7.693 1.00 0.00 C ATOM 1359 C LYS A 84 -10.249 3.467 6.884 1.00 0.00 C ATOM 1360 O LYS A 84 -11.177 4.111 7.367 1.00 0.00 O ATOM 1361 CB LYS A 84 -7.958 4.313 7.490 1.00 0.00 C ATOM 1362 CG LYS A 84 -7.715 5.166 8.729 1.00 0.00 C ATOM 1363 CD LYS A 84 -8.890 6.074 9.053 1.00 0.00 C ATOM 1364 CE LYS A 84 -9.038 7.182 8.023 1.00 0.00 C ATOM 1365 NZ LYS A 84 -10.096 8.155 8.397 1.00 0.00 N ATOM 0 H LYS A 84 -7.603 2.009 6.665 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.264 3.149 8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.012 3.873 7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.296 4.958 6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.518 4.515 9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.822 5.773 8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.807 5.485 9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.752 6.511 10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.088 7.705 7.914 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.274 6.745 7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.198 8.864 7.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.998 7.654 8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.834 8.629 9.285 1.00 0.00 H new ATOM 1379 N TYR A 85 -10.271 2.985 5.650 1.00 0.00 N ATOM 1380 CA TYR A 85 -11.437 3.146 4.792 1.00 0.00 C ATOM 1381 C TYR A 85 -12.373 1.944 4.896 1.00 0.00 C ATOM 1382 O TYR A 85 -13.547 2.077 5.243 1.00 0.00 O ATOM 1383 CB TYR A 85 -11.016 3.313 3.331 1.00 0.00 C ATOM 1384 CG TYR A 85 -12.177 3.653 2.420 1.00 0.00 C ATOM 1385 CD1 TYR A 85 -12.696 4.936 2.411 1.00 0.00 C ATOM 1386 CD2 TYR A 85 -12.766 2.705 1.585 1.00 0.00 C ATOM 1387 CE1 TYR A 85 -13.762 5.268 1.603 1.00 0.00 C ATOM 1388 CE2 TYR A 85 -13.831 3.036 0.774 1.00 0.00 C ATOM 1389 CZ TYR A 85 -14.322 4.319 0.789 1.00 0.00 C ATOM 1390 OH TYR A 85 -15.390 4.656 -0.006 1.00 0.00 O ATOM 0 H TYR A 85 -9.496 2.480 5.220 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.962 4.040 5.130 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.264 4.099 3.262 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.547 2.392 2.985 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.258 5.690 3.048 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.382 1.696 1.573 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.155 6.274 1.612 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.276 2.291 0.131 1.00 0.00 H new ATOM 0 HH TYR A 85 -16.168 4.116 0.245 1.00 0.00 H new ATOM 1400 N ASN A 86 -11.835 0.773 4.586 1.00 0.00 N ATOM 1401 CA ASN A 86 -12.622 -0.447 4.475 1.00 0.00 C ATOM 1402 C ASN A 86 -12.957 -0.996 5.850 1.00 0.00 C ATOM 1403 O ASN A 86 -12.129 -0.955 6.761 1.00 0.00 O ATOM 1404 CB ASN A 86 -11.838 -1.509 3.693 1.00 0.00 C ATOM 1405 CG ASN A 86 -11.312 -1.003 2.368 1.00 0.00 C ATOM 1406 OD1 ASN A 86 -10.223 -1.374 1.943 1.00 0.00 O ATOM 1407 ND2 ASN A 86 -12.087 -0.182 1.691 1.00 0.00 N ATOM 0 H ASN A 86 -10.840 0.642 4.404 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.546 -0.207 3.950 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -11.002 -1.855 4.301 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.482 -2.370 3.516 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -11.788 0.167 0.781 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -12.987 0.105 2.077 1.00 0.00 H new ATOM 1414 N PRO A 87 -14.185 -1.500 6.026 1.00 0.00 N ATOM 1415 CA PRO A 87 -14.554 -2.229 7.230 1.00 0.00 C ATOM 1416 C PRO A 87 -13.737 -3.512 7.343 1.00 0.00 C ATOM 1417 O PRO A 87 -13.287 -4.055 6.331 1.00 0.00 O ATOM 1418 CB PRO A 87 -16.044 -2.540 7.041 1.00 0.00 C ATOM 1419 CG PRO A 87 -16.305 -2.381 5.583 1.00 0.00 C ATOM 1420 CD PRO A 87 -15.302 -1.383 5.075 1.00 0.00 C ATOM 0 HA PRO A 87 -14.364 -1.664 8.143 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -16.278 -3.551 7.373 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -16.664 -1.861 7.626 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -16.201 -3.334 5.064 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -17.323 -2.032 5.407 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -14.988 -1.613 4.057 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -15.713 -0.373 5.061 1.00 0.00 H new ATOM 1428 N PRO A 88 -13.543 -4.000 8.584 1.00 0.00 N ATOM 1429 CA PRO A 88 -12.625 -5.106 8.910 1.00 0.00 C ATOM 1430 C PRO A 88 -12.787 -6.344 8.035 1.00 0.00 C ATOM 1431 O PRO A 88 -11.872 -7.158 7.938 1.00 0.00 O ATOM 1432 CB PRO A 88 -12.966 -5.452 10.365 1.00 0.00 C ATOM 1433 CG PRO A 88 -14.221 -4.706 10.673 1.00 0.00 C ATOM 1434 CD PRO A 88 -14.204 -3.498 9.792 1.00 0.00 C ATOM 0 HA PRO A 88 -11.594 -4.795 8.744 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -13.108 -6.526 10.489 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -12.160 -5.157 11.037 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -15.099 -5.321 10.477 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -14.259 -4.422 11.725 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.210 -3.133 9.583 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.653 -2.673 10.244 1.00 0.00 H new ATOM 1442 N ASP A 89 -13.941 -6.495 7.412 1.00 0.00 N ATOM 1443 CA ASP A 89 -14.171 -7.622 6.522 1.00 0.00 C ATOM 1444 C ASP A 89 -14.509 -7.144 5.119 1.00 0.00 C ATOM 1445 O ASP A 89 -15.658 -6.828 4.806 1.00 0.00 O ATOM 1446 CB ASP A 89 -15.265 -8.552 7.059 1.00 0.00 C ATOM 1447 CG ASP A 89 -14.816 -9.308 8.292 1.00 0.00 C ATOM 1448 OD1 ASP A 89 -13.917 -10.168 8.175 1.00 0.00 O ATOM 1449 OD2 ASP A 89 -15.367 -9.056 9.384 1.00 0.00 O ATOM 0 H ASP A 89 -14.731 -5.856 7.504 1.00 0.00 H new ATOM 0 HA ASP A 89 -13.246 -8.196 6.475 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -16.153 -7.967 7.297 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -15.550 -9.262 6.283 1.00 0.00 H new ATOM 1454 N HIS A 90 -13.482 -7.079 4.288 1.00 0.00 N ATOM 1455 CA HIS A 90 -13.618 -6.693 2.893 1.00 0.00 C ATOM 1456 C HIS A 90 -12.412 -7.243 2.134 1.00 0.00 C ATOM 1457 O HIS A 90 -11.384 -7.512 2.749 1.00 0.00 O ATOM 1458 CB HIS A 90 -13.672 -5.161 2.755 1.00 0.00 C ATOM 1459 CG HIS A 90 -14.440 -4.667 1.555 1.00 0.00 C ATOM 1460 ND1 HIS A 90 -13.830 -4.226 0.399 1.00 0.00 N ATOM 1461 CD2 HIS A 90 -15.776 -4.532 1.335 1.00 0.00 C ATOM 1462 CE1 HIS A 90 -14.750 -3.848 -0.471 1.00 0.00 C ATOM 1463 NE2 HIS A 90 -15.935 -4.024 0.072 1.00 0.00 N ATOM 0 H HIS A 90 -12.524 -7.294 4.564 1.00 0.00 H new ATOM 0 HA HIS A 90 -14.545 -7.097 2.485 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.122 -4.744 3.656 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.653 -4.778 2.701 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -16.566 -4.780 2.028 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.561 -3.460 -1.461 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -16.828 -3.816 -0.375 1.00 0.00 H new ATOM 1472 N ASP A 91 -12.512 -7.416 0.828 1.00 0.00 N ATOM 1473 CA ASP A 91 -11.414 -8.016 0.061 1.00 0.00 C ATOM 1474 C ASP A 91 -10.089 -7.275 0.252 1.00 0.00 C ATOM 1475 O ASP A 91 -9.039 -7.899 0.408 1.00 0.00 O ATOM 1476 CB ASP A 91 -11.759 -8.078 -1.427 1.00 0.00 C ATOM 1477 CG ASP A 91 -12.685 -9.232 -1.755 1.00 0.00 C ATOM 1478 OD1 ASP A 91 -12.203 -10.243 -2.301 1.00 0.00 O ATOM 1479 OD2 ASP A 91 -13.894 -9.141 -1.455 1.00 0.00 O ATOM 0 H ASP A 91 -13.328 -7.156 0.274 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.286 -9.027 0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.228 -7.141 -1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.841 -8.175 -2.007 1.00 0.00 H new ATOM 1484 N VAL A 92 -10.148 -5.949 0.280 1.00 0.00 N ATOM 1485 CA VAL A 92 -8.937 -5.132 0.319 1.00 0.00 C ATOM 1486 C VAL A 92 -8.195 -5.281 1.639 1.00 0.00 C ATOM 1487 O VAL A 92 -6.971 -5.240 1.660 1.00 0.00 O ATOM 1488 CB VAL A 92 -9.218 -3.639 0.040 1.00 0.00 C ATOM 1489 CG1 VAL A 92 -8.369 -3.150 -1.119 1.00 0.00 C ATOM 1490 CG2 VAL A 92 -10.684 -3.409 -0.256 1.00 0.00 C ATOM 0 H VAL A 92 -11.018 -5.416 0.277 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.302 -5.508 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.957 -3.073 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.578 -2.096 -1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.314 -3.273 -0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.605 -3.729 -2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.854 -2.350 -0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.973 -3.989 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -11.282 -3.723 0.600 1.00 0.00 H new ATOM 1500 N VAL A 93 -8.922 -5.497 2.731 1.00 0.00 N ATOM 1501 CA VAL A 93 -8.275 -5.644 4.029 1.00 0.00 C ATOM 1502 C VAL A 93 -7.596 -7.007 4.131 1.00 0.00 C ATOM 1503 O VAL A 93 -6.553 -7.149 4.763 1.00 0.00 O ATOM 1504 CB VAL A 93 -9.252 -5.452 5.216 1.00 0.00 C ATOM 1505 CG1 VAL A 93 -9.956 -4.109 5.117 1.00 0.00 C ATOM 1506 CG2 VAL A 93 -10.269 -6.572 5.289 1.00 0.00 C ATOM 0 H VAL A 93 -9.939 -5.573 2.745 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.529 -4.852 4.097 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.662 -5.476 6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.638 -3.993 5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.217 -3.308 5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.519 -4.061 4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -10.937 -6.403 6.134 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.850 -6.597 4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.754 -7.524 5.419 1.00 0.00 H new ATOM 1516 N ALA A 94 -8.186 -8.006 3.483 1.00 0.00 N ATOM 1517 CA ALA A 94 -7.597 -9.338 3.438 1.00 0.00 C ATOM 1518 C ALA A 94 -6.328 -9.320 2.594 1.00 0.00 C ATOM 1519 O ALA A 94 -5.312 -9.910 2.962 1.00 0.00 O ATOM 1520 CB ALA A 94 -8.598 -10.348 2.895 1.00 0.00 C ATOM 0 H ALA A 94 -9.070 -7.918 2.983 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.333 -9.640 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.140 -11.337 2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.477 -10.372 3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.896 -10.059 1.887 1.00 0.00 H new ATOM 1526 N MET A 95 -6.388 -8.615 1.471 1.00 0.00 N ATOM 1527 CA MET A 95 -5.226 -8.461 0.607 1.00 0.00 C ATOM 1528 C MET A 95 -4.158 -7.617 1.303 1.00 0.00 C ATOM 1529 O MET A 95 -2.961 -7.861 1.142 1.00 0.00 O ATOM 1530 CB MET A 95 -5.627 -7.838 -0.741 1.00 0.00 C ATOM 1531 CG MET A 95 -6.502 -8.747 -1.607 1.00 0.00 C ATOM 1532 SD MET A 95 -6.807 -8.073 -3.257 1.00 0.00 S ATOM 1533 CE MET A 95 -8.342 -7.181 -3.009 1.00 0.00 C ATOM 0 H MET A 95 -7.228 -8.142 1.138 1.00 0.00 H new ATOM 0 HA MET A 95 -4.809 -9.448 0.407 1.00 0.00 H new ATOM 0 HB2 MET A 95 -6.161 -6.906 -0.555 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.724 -7.583 -1.296 1.00 0.00 H new ATOM 0 HG2 MET A 95 -6.022 -9.721 -1.702 1.00 0.00 H new ATOM 0 HG3 MET A 95 -7.456 -8.909 -1.105 1.00 0.00 H new ATOM 0 HE1 MET A 95 -9.147 -7.686 -3.543 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.576 -7.149 -1.945 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.237 -6.164 -3.388 1.00 0.00 H new ATOM 1543 N ALA A 96 -4.602 -6.649 2.106 1.00 0.00 N ATOM 1544 CA ALA A 96 -3.689 -5.795 2.861 1.00 0.00 C ATOM 1545 C ALA A 96 -2.942 -6.609 3.914 1.00 0.00 C ATOM 1546 O ALA A 96 -1.729 -6.481 4.058 1.00 0.00 O ATOM 1547 CB ALA A 96 -4.441 -4.646 3.519 1.00 0.00 C ATOM 0 H ALA A 96 -5.590 -6.438 2.249 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.963 -5.376 2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.740 -4.024 4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.930 -4.045 2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.192 -5.046 4.201 1.00 0.00 H new ATOM 1553 N ARG A 97 -3.673 -7.460 4.636 1.00 0.00 N ATOM 1554 CA ARG A 97 -3.077 -8.294 5.681 1.00 0.00 C ATOM 1555 C ARG A 97 -2.017 -9.227 5.107 1.00 0.00 C ATOM 1556 O ARG A 97 -0.928 -9.363 5.662 1.00 0.00 O ATOM 1557 CB ARG A 97 -4.140 -9.137 6.391 1.00 0.00 C ATOM 1558 CG ARG A 97 -5.133 -8.334 7.210 1.00 0.00 C ATOM 1559 CD ARG A 97 -6.060 -9.242 8.003 1.00 0.00 C ATOM 1560 NE ARG A 97 -6.717 -10.244 7.158 1.00 0.00 N ATOM 1561 CZ ARG A 97 -7.703 -11.043 7.574 1.00 0.00 C ATOM 1562 NH1 ARG A 97 -8.156 -10.957 8.820 1.00 0.00 N ATOM 1563 NH2 ARG A 97 -8.223 -11.937 6.744 1.00 0.00 N ATOM 0 H ARG A 97 -4.678 -7.590 4.516 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.613 -7.616 6.398 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.686 -9.715 5.645 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.642 -9.852 7.046 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.596 -7.675 7.892 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.722 -7.698 6.549 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.490 -9.746 8.784 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.818 -8.637 8.501 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.401 -10.337 6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.751 -10.278 9.464 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.909 -11.570 9.132 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.870 -12.013 5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.976 -12.548 7.059 1.00 0.00 H new ATOM 1577 N LYS A 98 -2.347 -9.864 3.998 1.00 0.00 N ATOM 1578 CA LYS A 98 -1.470 -10.855 3.388 1.00 0.00 C ATOM 1579 C LYS A 98 -0.214 -10.192 2.805 1.00 0.00 C ATOM 1580 O LYS A 98 0.909 -10.690 2.966 1.00 0.00 O ATOM 1581 CB LYS A 98 -2.253 -11.613 2.316 1.00 0.00 C ATOM 1582 CG LYS A 98 -1.554 -12.852 1.785 1.00 0.00 C ATOM 1583 CD LYS A 98 -2.404 -13.553 0.745 1.00 0.00 C ATOM 1584 CE LYS A 98 -1.726 -14.805 0.232 1.00 0.00 C ATOM 1585 NZ LYS A 98 -2.616 -15.593 -0.658 1.00 0.00 N ATOM 0 H LYS A 98 -3.222 -9.713 3.496 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.131 -11.561 4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.219 -11.904 2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.452 -10.938 1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.595 -12.573 1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.343 -13.535 2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.371 -13.812 1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.597 -12.875 -0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.821 -14.531 -0.310 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.418 -15.422 1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.114 -16.442 -0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.468 -15.876 -0.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.890 -15.013 -1.477 1.00 0.00 H new ATOM 1599 N LEU A 99 -0.407 -9.066 2.133 1.00 0.00 N ATOM 1600 CA LEU A 99 0.714 -8.266 1.651 1.00 0.00 C ATOM 1601 C LEU A 99 1.509 -7.680 2.815 1.00 0.00 C ATOM 1602 O LEU A 99 2.708 -7.426 2.692 1.00 0.00 O ATOM 1603 CB LEU A 99 0.249 -7.134 0.735 1.00 0.00 C ATOM 1604 CG LEU A 99 0.220 -7.419 -0.774 1.00 0.00 C ATOM 1605 CD1 LEU A 99 0.750 -6.216 -1.514 1.00 0.00 C ATOM 1606 CD2 LEU A 99 1.051 -8.630 -1.151 1.00 0.00 C ATOM 0 H LEU A 99 -1.326 -8.685 1.909 1.00 0.00 H new ATOM 0 HA LEU A 99 1.355 -8.935 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.755 -6.841 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.898 -6.275 0.904 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.814 -7.627 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.732 -6.411 -2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.127 -5.349 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.774 -6.017 -1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.997 -8.788 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.088 -8.464 -0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.666 -9.510 -0.636 1.00 0.00 H new ATOM 1618 N GLN A 100 0.842 -7.452 3.938 1.00 0.00 N ATOM 1619 CA GLN A 100 1.521 -7.015 5.148 1.00 0.00 C ATOM 1620 C GLN A 100 2.535 -8.070 5.571 1.00 0.00 C ATOM 1621 O GLN A 100 3.638 -7.739 6.000 1.00 0.00 O ATOM 1622 CB GLN A 100 0.509 -6.762 6.275 1.00 0.00 C ATOM 1623 CG GLN A 100 1.127 -6.274 7.577 1.00 0.00 C ATOM 1624 CD GLN A 100 1.867 -4.960 7.426 1.00 0.00 C ATOM 1625 OE1 GLN A 100 1.286 -3.886 7.564 1.00 0.00 O ATOM 1626 NE2 GLN A 100 3.158 -5.037 7.153 1.00 0.00 N ATOM 0 H GLN A 100 -0.167 -7.562 4.035 1.00 0.00 H new ATOM 0 HA GLN A 100 2.041 -6.079 4.945 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.219 -6.026 5.934 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.038 -7.685 6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.342 -6.159 8.324 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.815 -7.031 7.952 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.603 -5.948 7.046 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.709 -4.185 7.049 1.00 0.00 H new ATOM 1635 N ASP A 101 2.157 -9.337 5.422 1.00 0.00 N ATOM 1636 CA ASP A 101 3.045 -10.454 5.738 1.00 0.00 C ATOM 1637 C ASP A 101 4.330 -10.383 4.922 1.00 0.00 C ATOM 1638 O ASP A 101 5.423 -10.338 5.486 1.00 0.00 O ATOM 1639 CB ASP A 101 2.356 -11.799 5.483 1.00 0.00 C ATOM 1640 CG ASP A 101 1.387 -12.186 6.580 1.00 0.00 C ATOM 1641 OD1 ASP A 101 0.169 -11.969 6.416 1.00 0.00 O ATOM 1642 OD2 ASP A 101 1.839 -12.731 7.609 1.00 0.00 O ATOM 0 H ASP A 101 1.237 -9.617 5.083 1.00 0.00 H new ATOM 0 HA ASP A 101 3.292 -10.377 6.797 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.822 -11.753 4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.114 -12.576 5.385 1.00 0.00 H new ATOM 1647 N VAL A 102 4.203 -10.361 3.596 1.00 0.00 N ATOM 1648 CA VAL A 102 5.384 -10.309 2.728 1.00 0.00 C ATOM 1649 C VAL A 102 6.220 -9.060 2.999 1.00 0.00 C ATOM 1650 O VAL A 102 7.429 -9.151 3.206 1.00 0.00 O ATOM 1651 CB VAL A 102 5.026 -10.390 1.221 1.00 0.00 C ATOM 1652 CG1 VAL A 102 3.866 -9.497 0.879 1.00 0.00 C ATOM 1653 CG2 VAL A 102 6.216 -10.034 0.339 1.00 0.00 C ATOM 0 H VAL A 102 3.310 -10.378 3.103 1.00 0.00 H new ATOM 0 HA VAL A 102 5.975 -11.192 2.973 1.00 0.00 H new ATOM 0 HB VAL A 102 4.743 -11.425 1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.644 -9.580 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.992 -9.798 1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.120 -8.464 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.925 -10.102 -0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.541 -9.017 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.034 -10.727 0.535 1.00 0.00 H new ATOM 1663 N PHE A 103 5.572 -7.904 3.013 1.00 0.00 N ATOM 1664 CA PHE A 103 6.266 -6.642 3.267 1.00 0.00 C ATOM 1665 C PHE A 103 6.977 -6.651 4.625 1.00 0.00 C ATOM 1666 O PHE A 103 8.135 -6.239 4.722 1.00 0.00 O ATOM 1667 CB PHE A 103 5.298 -5.450 3.148 1.00 0.00 C ATOM 1668 CG PHE A 103 5.744 -4.217 3.907 1.00 0.00 C ATOM 1669 CD1 PHE A 103 6.961 -3.617 3.613 1.00 0.00 C ATOM 1670 CD2 PHE A 103 4.962 -3.667 4.923 1.00 0.00 C ATOM 1671 CE1 PHE A 103 7.390 -2.506 4.312 1.00 0.00 C ATOM 1672 CE2 PHE A 103 5.390 -2.553 5.618 1.00 0.00 C ATOM 1673 CZ PHE A 103 6.604 -1.974 5.316 1.00 0.00 C ATOM 0 H PHE A 103 4.569 -7.810 2.852 1.00 0.00 H new ATOM 0 HA PHE A 103 7.035 -6.528 2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.181 -5.194 2.095 1.00 0.00 H new ATOM 0 HB3 PHE A 103 4.317 -5.754 3.513 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.580 -4.024 2.827 1.00 0.00 H new ATOM 0 HD2 PHE A 103 4.012 -4.117 5.169 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.341 -2.053 4.074 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.773 -2.135 6.399 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.940 -1.106 5.863 1.00 0.00 H new ATOM 1683 N GLU A 104 6.312 -7.146 5.664 1.00 0.00 N ATOM 1684 CA GLU A 104 6.902 -7.120 7.002 1.00 0.00 C ATOM 1685 C GLU A 104 8.040 -8.127 7.101 1.00 0.00 C ATOM 1686 O GLU A 104 9.007 -7.905 7.822 1.00 0.00 O ATOM 1687 CB GLU A 104 5.862 -7.375 8.104 1.00 0.00 C ATOM 1688 CG GLU A 104 5.573 -8.844 8.394 1.00 0.00 C ATOM 1689 CD GLU A 104 4.649 -9.018 9.572 1.00 0.00 C ATOM 1690 OE1 GLU A 104 5.096 -9.555 10.607 1.00 0.00 O ATOM 1691 OE2 GLU A 104 3.478 -8.603 9.480 1.00 0.00 O ATOM 0 H GLU A 104 5.382 -7.563 5.611 1.00 0.00 H new ATOM 0 HA GLU A 104 7.297 -6.117 7.160 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.206 -6.900 9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.929 -6.886 7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.128 -9.306 7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.510 -9.366 8.588 1.00 0.00 H new ATOM 1698 N PHE A 105 7.919 -9.227 6.366 1.00 0.00 N ATOM 1699 CA PHE A 105 8.969 -10.235 6.308 1.00 0.00 C ATOM 1700 C PHE A 105 10.183 -9.678 5.571 1.00 0.00 C ATOM 1701 O PHE A 105 11.331 -9.911 5.957 1.00 0.00 O ATOM 1702 CB PHE A 105 8.443 -11.494 5.609 1.00 0.00 C ATOM 1703 CG PHE A 105 9.453 -12.599 5.480 1.00 0.00 C ATOM 1704 CD1 PHE A 105 9.861 -13.316 6.591 1.00 0.00 C ATOM 1705 CD2 PHE A 105 9.981 -12.927 4.243 1.00 0.00 C ATOM 1706 CE1 PHE A 105 10.781 -14.340 6.470 1.00 0.00 C ATOM 1707 CE2 PHE A 105 10.901 -13.948 4.117 1.00 0.00 C ATOM 1708 CZ PHE A 105 11.302 -14.656 5.232 1.00 0.00 C ATOM 0 H PHE A 105 7.099 -9.443 5.799 1.00 0.00 H new ATOM 0 HA PHE A 105 9.271 -10.501 7.321 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.581 -11.868 6.161 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.090 -11.222 4.614 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.456 -13.073 7.562 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.669 -12.378 3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 105 11.092 -14.893 7.344 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.307 -14.193 3.147 1.00 0.00 H new ATOM 0 HZ PHE A 105 12.022 -15.455 5.136 1.00 0.00 H new ATOM 1718 N ARG A 106 9.909 -8.921 4.516 1.00 0.00 N ATOM 1719 CA ARG A 106 10.947 -8.270 3.739 1.00 0.00 C ATOM 1720 C ARG A 106 11.710 -7.273 4.608 1.00 0.00 C ATOM 1721 O ARG A 106 12.944 -7.264 4.636 1.00 0.00 O ATOM 1722 CB ARG A 106 10.323 -7.562 2.529 1.00 0.00 C ATOM 1723 CG ARG A 106 9.843 -8.503 1.431 1.00 0.00 C ATOM 1724 CD ARG A 106 11.011 -9.204 0.761 1.00 0.00 C ATOM 1725 NE ARG A 106 10.590 -10.184 -0.238 1.00 0.00 N ATOM 1726 CZ ARG A 106 10.532 -11.495 -0.018 1.00 0.00 C ATOM 1727 NH1 ARG A 106 10.738 -11.980 1.198 1.00 0.00 N ATOM 1728 NH2 ARG A 106 10.259 -12.319 -1.017 1.00 0.00 N ATOM 0 H ARG A 106 8.963 -8.744 4.179 1.00 0.00 H new ATOM 0 HA ARG A 106 11.650 -9.022 3.382 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.480 -6.960 2.870 1.00 0.00 H new ATOM 0 HB3 ARG A 106 11.056 -6.874 2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.165 -9.244 1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.278 -7.941 0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.650 -8.460 0.286 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.613 -9.703 1.521 1.00 0.00 H new ATOM 0 HE ARG A 106 10.324 -9.842 -1.161 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.942 -11.347 1.972 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.692 -12.986 1.360 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.094 -11.949 -1.953 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.214 -13.324 -0.851 1.00 0.00 H new ATOM 1742 N TYR A 107 10.967 -6.455 5.345 1.00 0.00 N ATOM 1743 CA TYR A 107 11.575 -5.446 6.206 1.00 0.00 C ATOM 1744 C TYR A 107 12.223 -6.100 7.430 1.00 0.00 C ATOM 1745 O TYR A 107 13.214 -5.599 7.954 1.00 0.00 O ATOM 1746 CB TYR A 107 10.532 -4.401 6.636 1.00 0.00 C ATOM 1747 CG TYR A 107 11.128 -3.157 7.271 1.00 0.00 C ATOM 1748 CD1 TYR A 107 11.506 -2.061 6.498 1.00 0.00 C ATOM 1749 CD2 TYR A 107 11.316 -3.082 8.644 1.00 0.00 C ATOM 1750 CE1 TYR A 107 12.054 -0.934 7.079 1.00 0.00 C ATOM 1751 CE2 TYR A 107 11.861 -1.957 9.231 1.00 0.00 C ATOM 1752 CZ TYR A 107 12.228 -0.888 8.444 1.00 0.00 C ATOM 1753 OH TYR A 107 12.772 0.233 9.027 1.00 0.00 O ATOM 0 H TYR A 107 9.947 -6.470 5.364 1.00 0.00 H new ATOM 0 HA TYR A 107 12.354 -4.937 5.639 1.00 0.00 H new ATOM 0 HB2 TYR A 107 9.947 -4.107 5.764 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.841 -4.862 7.342 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.368 -2.093 5.427 1.00 0.00 H new ATOM 0 HD2 TYR A 107 11.031 -3.919 9.265 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.344 -0.094 6.466 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.999 -1.916 10.301 1.00 0.00 H new ATOM 0 HH TYR A 107 12.825 0.104 9.997 1.00 0.00 H new ATOM 1763 N ALA A 108 11.674 -7.232 7.863 1.00 0.00 N ATOM 1764 CA ALA A 108 12.195 -7.946 9.027 1.00 0.00 C ATOM 1765 C ALA A 108 13.609 -8.456 8.785 1.00 0.00 C ATOM 1766 O ALA A 108 14.434 -8.475 9.699 1.00 0.00 O ATOM 1767 CB ALA A 108 11.284 -9.106 9.399 1.00 0.00 C ATOM 0 H ALA A 108 10.867 -7.676 7.425 1.00 0.00 H new ATOM 0 HA ALA A 108 12.226 -7.237 9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.690 -9.624 10.268 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.290 -8.727 9.635 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.218 -9.800 8.561 1.00 0.00 H new ATOM 1773 N LYS A 109 13.894 -8.867 7.555 1.00 0.00 N ATOM 1774 CA LYS A 109 15.221 -9.377 7.227 1.00 0.00 C ATOM 1775 C LYS A 109 16.127 -8.250 6.749 1.00 0.00 C ATOM 1776 O LYS A 109 17.347 -8.397 6.704 1.00 0.00 O ATOM 1777 CB LYS A 109 15.150 -10.484 6.171 1.00 0.00 C ATOM 1778 CG LYS A 109 14.336 -11.697 6.601 1.00 0.00 C ATOM 1779 CD LYS A 109 14.506 -12.880 5.653 1.00 0.00 C ATOM 1780 CE LYS A 109 14.270 -12.510 4.195 1.00 0.00 C ATOM 1781 NZ LYS A 109 15.512 -12.026 3.531 1.00 0.00 N ATOM 0 H LYS A 109 13.234 -8.858 6.777 1.00 0.00 H new ATOM 0 HA LYS A 109 15.643 -9.805 8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 109 14.718 -10.074 5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 109 16.163 -10.806 5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 109 14.636 -11.995 7.606 1.00 0.00 H new ATOM 0 HG3 LYS A 109 13.282 -11.424 6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 109 15.512 -13.284 5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.812 -13.671 5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 109 13.888 -13.378 3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 109 13.504 -11.737 4.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 15.379 -11.042 3.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 16.305 -12.073 4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 15.720 -12.624 2.706 1.00 0.00 H new ATOM 1795 N MET A 110 15.521 -7.127 6.384 1.00 0.00 N ATOM 1796 CA MET A 110 16.273 -5.942 5.986 1.00 0.00 C ATOM 1797 C MET A 110 17.068 -5.383 7.171 1.00 0.00 C ATOM 1798 O MET A 110 16.502 -5.099 8.230 1.00 0.00 O ATOM 1799 CB MET A 110 15.325 -4.875 5.410 1.00 0.00 C ATOM 1800 CG MET A 110 15.967 -3.508 5.196 1.00 0.00 C ATOM 1801 SD MET A 110 15.869 -2.462 6.660 1.00 0.00 S ATOM 1802 CE MET A 110 16.652 -0.982 6.050 1.00 0.00 C ATOM 0 H MET A 110 14.508 -7.011 6.355 1.00 0.00 H new ATOM 0 HA MET A 110 16.982 -6.226 5.209 1.00 0.00 H new ATOM 0 HB2 MET A 110 14.933 -5.231 4.457 1.00 0.00 H new ATOM 0 HB3 MET A 110 14.474 -4.762 6.082 1.00 0.00 H new ATOM 0 HG2 MET A 110 17.013 -3.641 4.918 1.00 0.00 H new ATOM 0 HG3 MET A 110 15.476 -3.007 4.362 1.00 0.00 H new ATOM 0 HE1 MET A 110 16.287 -0.120 6.609 1.00 0.00 H new ATOM 0 HE2 MET A 110 17.732 -1.064 6.175 1.00 0.00 H new ATOM 0 HE3 MET A 110 16.417 -0.855 4.993 1.00 0.00 H new ATOM 1812 N PRO A 111 18.399 -5.262 7.027 1.00 0.00 N ATOM 1813 CA PRO A 111 19.250 -4.669 8.051 1.00 0.00 C ATOM 1814 C PRO A 111 19.385 -3.154 7.912 1.00 0.00 C ATOM 1815 O PRO A 111 19.368 -2.609 6.802 1.00 0.00 O ATOM 1816 CB PRO A 111 20.593 -5.340 7.805 1.00 0.00 C ATOM 1817 CG PRO A 111 20.625 -5.615 6.337 1.00 0.00 C ATOM 1818 CD PRO A 111 19.191 -5.734 5.873 1.00 0.00 C ATOM 0 HA PRO A 111 18.844 -4.820 9.051 1.00 0.00 H new ATOM 0 HB2 PRO A 111 21.418 -4.693 8.103 1.00 0.00 H new ATOM 0 HB3 PRO A 111 20.686 -6.261 8.381 1.00 0.00 H new ATOM 0 HG2 PRO A 111 21.136 -4.812 5.806 1.00 0.00 H new ATOM 0 HG3 PRO A 111 21.174 -6.534 6.130 1.00 0.00 H new ATOM 0 HD2 PRO A 111 19.007 -5.126 4.987 1.00 0.00 H new ATOM 0 HD3 PRO A 111 18.941 -6.762 5.611 1.00 0.00 H new ATOM 1826 N ASP A 112 19.530 -2.489 9.048 1.00 0.00 N ATOM 1827 CA ASP A 112 19.720 -1.045 9.086 1.00 0.00 C ATOM 1828 C ASP A 112 21.200 -0.725 9.194 1.00 0.00 C ATOM 1829 O ASP A 112 21.776 -0.202 8.220 1.00 0.00 O ATOM 1830 CB ASP A 112 18.982 -0.412 10.271 1.00 0.00 C ATOM 1831 CG ASP A 112 17.485 -0.308 10.069 1.00 0.00 C ATOM 1832 OD1 ASP A 112 17.033 0.645 9.394 1.00 0.00 O ATOM 1833 OD2 ASP A 112 16.748 -1.156 10.617 1.00 0.00 O ATOM 1834 OXT ASP A 112 21.793 -1.028 10.251 1.00 0.00 O ATOM 0 H ASP A 112 19.520 -2.932 9.967 1.00 0.00 H new ATOM 0 HA ASP A 112 19.311 -0.631 8.164 1.00 0.00 H new ATOM 0 HB2 ASP A 112 19.179 -1.001 11.167 1.00 0.00 H new ATOM 0 HB3 ASP A 112 19.386 0.585 10.449 1.00 0.00 H new TER 1839 ASP A 112 ATOM 1840 N HIS B 281 -27.086 2.107 2.380 1.00 0.00 N ATOM 1841 CA HIS B 281 -27.363 0.673 2.641 1.00 0.00 C ATOM 1842 C HIS B 281 -26.134 -0.022 3.225 1.00 0.00 C ATOM 1843 O HIS B 281 -26.042 -1.249 3.226 1.00 0.00 O ATOM 1844 CB HIS B 281 -27.847 -0.047 1.365 1.00 0.00 C ATOM 1845 CG HIS B 281 -26.874 -0.066 0.218 1.00 0.00 C ATOM 1846 ND1 HIS B 281 -26.130 -1.177 -0.118 1.00 0.00 N ATOM 1847 CD2 HIS B 281 -26.554 0.883 -0.694 1.00 0.00 C ATOM 1848 CE1 HIS B 281 -25.396 -0.909 -1.180 1.00 0.00 C ATOM 1849 NE2 HIS B 281 -25.635 0.333 -1.550 1.00 0.00 N ATOM 0 HA HIS B 281 -28.166 0.620 3.376 1.00 0.00 H new ATOM 0 HB2 HIS B 281 -28.096 -1.076 1.623 1.00 0.00 H new ATOM 0 HB3 HIS B 281 -28.768 0.429 1.028 1.00 0.00 H new ATOM 0 HD2 HIS B 281 -26.950 1.887 -0.739 1.00 0.00 H new ATOM 0 HE1 HIS B 281 -24.714 -1.592 -1.665 1.00 0.00 H new ATOM 0 HE2 HIS B 281 -25.206 0.808 -2.344 1.00 0.00 H new ATOM 1860 N ASN B 282 -25.196 0.772 3.727 1.00 0.00 N ATOM 1861 CA ASN B 282 -23.992 0.251 4.366 1.00 0.00 C ATOM 1862 C ASN B 282 -23.626 1.150 5.532 1.00 0.00 C ATOM 1863 O ASN B 282 -24.363 2.084 5.842 1.00 0.00 O ATOM 1864 CB ASN B 282 -22.809 0.206 3.387 1.00 0.00 C ATOM 1865 CG ASN B 282 -23.053 -0.677 2.182 1.00 0.00 C ATOM 1866 OD1 ASN B 282 -23.575 -0.221 1.167 1.00 0.00 O ATOM 1867 ND2 ASN B 282 -22.664 -1.938 2.278 1.00 0.00 N ATOM 0 H ASN B 282 -25.247 1.790 3.703 1.00 0.00 H new ATOM 0 HA ASN B 282 -24.198 -0.765 4.704 1.00 0.00 H new ATOM 0 HB2 ASN B 282 -22.591 1.218 3.047 1.00 0.00 H new ATOM 0 HB3 ASN B 282 -21.925 -0.150 3.915 1.00 0.00 H new ATOM 0 HD21 ASN B 282 -22.793 -2.573 1.490 1.00 0.00 H new ATOM 0 HD22 ASN B 282 -22.235 -2.275 3.140 1.00 0.00 H new ATOM 1874 N LEU B 283 -22.503 0.883 6.178 1.00 0.00 N ATOM 1875 CA LEU B 283 -21.984 1.810 7.174 1.00 0.00 C ATOM 1876 C LEU B 283 -21.514 3.073 6.463 1.00 0.00 C ATOM 1877 O LEU B 283 -21.778 4.195 6.897 1.00 0.00 O ATOM 1878 CB LEU B 283 -20.830 1.189 7.975 1.00 0.00 C ATOM 1879 CG LEU B 283 -21.229 0.122 9.003 1.00 0.00 C ATOM 1880 CD1 LEU B 283 -21.655 -1.170 8.322 1.00 0.00 C ATOM 1881 CD2 LEU B 283 -20.082 -0.139 9.966 1.00 0.00 C ATOM 0 H LEU B 283 -21.939 0.045 6.035 1.00 0.00 H new ATOM 0 HA LEU B 283 -22.777 2.049 7.883 1.00 0.00 H new ATOM 0 HB2 LEU B 283 -20.124 0.745 7.274 1.00 0.00 H new ATOM 0 HB3 LEU B 283 -20.302 1.988 8.495 1.00 0.00 H new ATOM 0 HG LEU B 283 -22.083 0.500 9.566 1.00 0.00 H new ATOM 0 HD11 LEU B 283 -21.931 -1.906 9.077 1.00 0.00 H new ATOM 0 HD12 LEU B 283 -22.510 -0.975 7.675 1.00 0.00 H new ATOM 0 HD13 LEU B 283 -20.829 -1.556 7.725 1.00 0.00 H new ATOM 0 HD21 LEU B 283 -20.380 -0.898 10.689 1.00 0.00 H new ATOM 0 HD22 LEU B 283 -19.212 -0.489 9.410 1.00 0.00 H new ATOM 0 HD23 LEU B 283 -19.830 0.783 10.490 1.00 0.00 H new ATOM 1893 N LEU B 284 -20.843 2.858 5.344 1.00 0.00 N ATOM 1894 CA LEU B 284 -20.382 3.921 4.468 1.00 0.00 C ATOM 1895 C LEU B 284 -20.086 3.286 3.117 1.00 0.00 C ATOM 1896 O LEU B 284 -20.277 2.083 2.962 1.00 0.00 O ATOM 1897 CB LEU B 284 -19.123 4.597 5.047 1.00 0.00 C ATOM 1898 CG LEU B 284 -18.670 5.887 4.352 1.00 0.00 C ATOM 1899 CD1 LEU B 284 -19.739 6.963 4.453 1.00 0.00 C ATOM 1900 CD2 LEU B 284 -17.364 6.378 4.953 1.00 0.00 C ATOM 0 H LEU B 284 -20.599 1.924 5.014 1.00 0.00 H new ATOM 0 HA LEU B 284 -21.140 4.698 4.369 1.00 0.00 H new ATOM 0 HB2 LEU B 284 -19.306 4.820 6.098 1.00 0.00 H new ATOM 0 HB3 LEU B 284 -18.302 3.881 5.011 1.00 0.00 H new ATOM 0 HG LEU B 284 -18.510 5.668 3.296 1.00 0.00 H new ATOM 0 HD11 LEU B 284 -19.393 7.867 3.953 1.00 0.00 H new ATOM 0 HD12 LEU B 284 -20.655 6.612 3.977 1.00 0.00 H new ATOM 0 HD13 LEU B 284 -19.937 7.182 5.502 1.00 0.00 H new ATOM 0 HD21 LEU B 284 -17.054 7.294 4.450 1.00 0.00 H new ATOM 0 HD22 LEU B 284 -17.504 6.577 6.016 1.00 0.00 H new ATOM 0 HD23 LEU B 284 -16.595 5.616 4.825 1.00 0.00 H new ATOM 1912 N ARG B 285 -19.659 4.069 2.143 1.00 0.00 N ATOM 1913 CA ARG B 285 -19.186 3.508 0.885 1.00 0.00 C ATOM 1914 C ARG B 285 -17.996 2.591 1.171 1.00 0.00 C ATOM 1915 O ARG B 285 -16.929 3.064 1.547 1.00 0.00 O ATOM 1916 CB ARG B 285 -18.773 4.632 -0.066 1.00 0.00 C ATOM 1917 CG ARG B 285 -19.911 5.563 -0.454 1.00 0.00 C ATOM 1918 CD ARG B 285 -19.384 6.816 -1.122 1.00 0.00 C ATOM 1919 NE ARG B 285 -20.453 7.715 -1.543 1.00 0.00 N ATOM 1920 CZ ARG B 285 -20.523 9.003 -1.204 1.00 0.00 C ATOM 1921 NH1 ARG B 285 -19.619 9.528 -0.389 1.00 0.00 N ATOM 1922 NH2 ARG B 285 -21.504 9.760 -1.679 1.00 0.00 N ATOM 0 H ARG B 285 -19.629 5.087 2.195 1.00 0.00 H new ATOM 0 HA ARG B 285 -19.983 2.934 0.412 1.00 0.00 H new ATOM 0 HB2 ARG B 285 -17.982 5.218 0.402 1.00 0.00 H new ATOM 0 HB3 ARG B 285 -18.352 4.193 -0.970 1.00 0.00 H new ATOM 0 HG2 ARG B 285 -20.594 5.047 -1.129 1.00 0.00 H new ATOM 0 HG3 ARG B 285 -20.483 5.833 0.434 1.00 0.00 H new ATOM 0 HD2 ARG B 285 -18.722 7.341 -0.433 1.00 0.00 H new ATOM 0 HD3 ARG B 285 -18.785 6.537 -1.989 1.00 0.00 H new ATOM 0 HE ARG B 285 -21.193 7.335 -2.133 1.00 0.00 H new ATOM 0 HH11 ARG B 285 -18.867 8.947 -0.019 1.00 0.00 H new ATOM 0 HH12 ARG B 285 -19.675 10.513 -0.132 1.00 0.00 H new ATOM 0 HH21 ARG B 285 -22.203 9.357 -2.302 1.00 0.00 H new ATOM 0 HH22 ARG B 285 -21.559 10.745 -1.421 1.00 0.00 H new ATOM 1936 N ILE B 286 -18.180 1.288 1.014 1.00 0.00 N ATOM 1937 CA ILE B 286 -17.167 0.323 1.435 1.00 0.00 C ATOM 1938 C ILE B 286 -16.246 -0.098 0.293 1.00 0.00 C ATOM 1939 O ILE B 286 -15.509 -1.077 0.426 1.00 0.00 O ATOM 1940 CB ILE B 286 -17.809 -0.938 2.055 1.00 0.00 C ATOM 1941 CG1 ILE B 286 -18.763 -1.607 1.059 1.00 0.00 C ATOM 1942 CG2 ILE B 286 -18.541 -0.580 3.339 1.00 0.00 C ATOM 1943 CD1 ILE B 286 -19.391 -2.881 1.579 1.00 0.00 C ATOM 0 H ILE B 286 -19.015 0.873 0.601 1.00 0.00 H new ATOM 0 HA ILE B 286 -16.568 0.835 2.188 1.00 0.00 H new ATOM 0 HB ILE B 286 -17.016 -1.647 2.293 1.00 0.00 H new ATOM 0 HG12 ILE B 286 -19.553 -0.903 0.798 1.00 0.00 H new ATOM 0 HG13 ILE B 286 -18.218 -1.829 0.141 1.00 0.00 H new ATOM 0 HG21 ILE B 286 -18.989 -1.478 3.765 1.00 0.00 H new ATOM 0 HG22 ILE B 286 -17.837 -0.152 4.052 1.00 0.00 H new ATOM 0 HG23 ILE B 286 -19.323 0.147 3.121 1.00 0.00 H new ATOM 0 HD11 ILE B 286 -20.053 -3.297 0.819 1.00 0.00 H new ATOM 0 HD12 ILE B 286 -18.609 -3.603 1.813 1.00 0.00 H new ATOM 0 HD13 ILE B 286 -19.964 -2.663 2.480 1.00 0.00 H new HETATM 1955 OH ALY B 287 -9.706 1.660 0.633 1.00 0.00 O HETATM 1956 CH ALY B 287 -9.111 1.011 -0.224 1.00 0.00 C HETATM 1957 CH3 ALY B 287 -7.616 0.729 -0.049 1.00 0.00 C HETATM 1958 NZ ALY B 287 -9.725 0.548 -1.301 1.00 0.00 N HETATM 1959 CE ALY B 287 -11.138 0.758 -1.579 1.00 0.00 C HETATM 1960 CD ALY B 287 -11.685 -0.282 -2.538 1.00 0.00 C HETATM 1961 CG ALY B 287 -13.136 -0.016 -2.893 1.00 0.00 C HETATM 1962 CB ALY B 287 -14.028 0.060 -1.665 1.00 0.00 C HETATM 1963 CA ALY B 287 -15.481 0.385 -2.007 1.00 0.00 C HETATM 1964 N ALY B 287 -16.287 0.657 -0.808 1.00 0.00 N HETATM 1965 C ALY B 287 -16.081 -0.756 -2.822 1.00 0.00 C HETATM 1966 O ALY B 287 -16.330 -1.846 -2.304 1.00 0.00 O HETATM 0 HH33 ALY B 287 -7.071 1.672 0.001 1.00 0.00 H new HETATM 0 HH32 ALY B 287 -7.457 0.168 0.872 1.00 0.00 H new HETATM 0 HH31 ALY B 287 -7.254 0.146 -0.896 1.00 0.00 H new HETATM 0 HZ ALY B 287 -9.177 0.013 -1.975 1.00 0.00 H new HETATM 0 HG3 ALY B 287 -13.497 -0.805 -3.552 1.00 0.00 H new HETATM 0 HG2 ALY B 287 -13.206 0.920 -3.448 1.00 0.00 H new HETATM 0 HE3 ALY B 287 -11.281 1.753 -2.001 1.00 0.00 H new HETATM 0 HE2 ALY B 287 -11.701 0.724 -0.646 1.00 0.00 H new HETATM 0 HD3 ALY B 287 -11.596 -1.272 -2.090 1.00 0.00 H new HETATM 0 HD2 ALY B 287 -11.084 -0.289 -3.447 1.00 0.00 H new HETATM 0 HCA ALY B 287 -15.492 1.298 -2.602 1.00 0.00 H new HETATM 0 HB3 ALY B 287 -13.641 0.820 -0.987 1.00 0.00 H new HETATM 0 HB2 ALY B 287 -13.989 -0.891 -1.134 1.00 0.00 H new HETATM 0 H2 ALY B 287 -17.276 0.888 -0.900 1.00 0.00 H new ATOM 1981 N GLN B 288 -16.286 -0.512 -4.105 1.00 0.00 N ATOM 1982 CA GLN B 288 -16.891 -1.501 -4.985 1.00 0.00 C ATOM 1983 C GLN B 288 -15.854 -2.495 -5.512 1.00 0.00 C ATOM 1984 O GLN B 288 -15.623 -2.595 -6.719 1.00 0.00 O ATOM 1985 CB GLN B 288 -17.599 -0.805 -6.147 1.00 0.00 C ATOM 1986 CG GLN B 288 -18.771 0.063 -5.722 1.00 0.00 C ATOM 1987 CD GLN B 288 -19.841 -0.718 -4.987 1.00 0.00 C ATOM 1988 OE1 GLN B 288 -20.744 -1.284 -5.600 1.00 0.00 O ATOM 1989 NE2 GLN B 288 -19.758 -0.741 -3.667 1.00 0.00 N ATOM 0 H GLN B 288 -16.042 0.366 -4.563 1.00 0.00 H new ATOM 0 HA GLN B 288 -17.622 -2.064 -4.405 1.00 0.00 H new ATOM 0 HB2 GLN B 288 -16.877 -0.188 -6.682 1.00 0.00 H new ATOM 0 HB3 GLN B 288 -17.954 -1.560 -6.848 1.00 0.00 H new ATOM 0 HG2 GLN B 288 -18.409 0.867 -5.081 1.00 0.00 H new ATOM 0 HG3 GLN B 288 -19.209 0.531 -6.603 1.00 0.00 H new ATOM 0 HE21 GLN B 288 -18.993 -0.259 -3.196 1.00 0.00 H new ATOM 0 HE22 GLN B 288 -20.459 -1.241 -3.121 1.00 0.00 H new ATOM 1998 N PHE B 289 -15.233 -3.232 -4.597 1.00 0.00 N ATOM 1999 CA PHE B 289 -14.279 -4.281 -4.958 1.00 0.00 C ATOM 2000 C PHE B 289 -14.925 -5.652 -4.810 1.00 0.00 C ATOM 2001 O PHE B 289 -14.240 -6.664 -4.656 1.00 0.00 O ATOM 2002 CB PHE B 289 -13.020 -4.204 -4.083 1.00 0.00 C ATOM 2003 CG PHE B 289 -11.949 -3.282 -4.608 1.00 0.00 C ATOM 2004 CD1 PHE B 289 -12.240 -2.320 -5.563 1.00 0.00 C ATOM 2005 CD2 PHE B 289 -10.645 -3.383 -4.143 1.00 0.00 C ATOM 2006 CE1 PHE B 289 -11.253 -1.480 -6.042 1.00 0.00 C ATOM 2007 CE2 PHE B 289 -9.658 -2.542 -4.620 1.00 0.00 C ATOM 2008 CZ PHE B 289 -9.962 -1.592 -5.570 1.00 0.00 C ATOM 0 H PHE B 289 -15.373 -3.123 -3.593 1.00 0.00 H new ATOM 0 HA PHE B 289 -13.988 -4.129 -5.997 1.00 0.00 H new ATOM 0 HB2 PHE B 289 -13.307 -3.875 -3.084 1.00 0.00 H new ATOM 0 HB3 PHE B 289 -12.602 -5.205 -3.981 1.00 0.00 H new ATOM 0 HD1 PHE B 289 -13.249 -2.226 -5.937 1.00 0.00 H new ATOM 0 HD2 PHE B 289 -10.399 -4.127 -3.400 1.00 0.00 H new ATOM 0 HE1 PHE B 289 -11.493 -0.735 -6.787 1.00 0.00 H new ATOM 0 HE2 PHE B 289 -8.648 -2.629 -4.248 1.00 0.00 H new ATOM 0 HZ PHE B 289 -9.190 -0.936 -5.945 1.00 0.00 H new ATOM 2018 N LEU B 290 -16.247 -5.677 -4.859 1.00 0.00 N ATOM 2019 CA LEU B 290 -16.996 -6.908 -4.678 1.00 0.00 C ATOM 2020 C LEU B 290 -17.212 -7.602 -6.020 1.00 0.00 C ATOM 2021 O LEU B 290 -16.841 -8.765 -6.182 1.00 0.00 O ATOM 2022 CB LEU B 290 -18.340 -6.608 -4.013 1.00 0.00 C ATOM 2023 CG LEU B 290 -19.193 -7.831 -3.676 1.00 0.00 C ATOM 2024 CD1 LEU B 290 -18.504 -8.702 -2.637 1.00 0.00 C ATOM 2025 CD2 LEU B 290 -20.566 -7.399 -3.184 1.00 0.00 C ATOM 0 H LEU B 290 -16.825 -4.853 -5.024 1.00 0.00 H new ATOM 0 HA LEU B 290 -16.424 -7.575 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU B 290 -18.155 -6.051 -3.095 1.00 0.00 H new ATOM 0 HB3 LEU B 290 -18.914 -5.956 -4.671 1.00 0.00 H new ATOM 0 HG LEU B 290 -19.318 -8.421 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU B 290 -19.130 -9.566 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU B 290 -17.543 -9.041 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU B 290 -18.344 -8.125 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU B 290 -21.162 -8.281 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU B 290 -20.456 -6.786 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU B 290 -21.066 -6.821 -3.961 1.00 0.00 H new ATOM 2037 N GLN B 291 -17.799 -6.882 -6.975 1.00 0.00 N ATOM 2038 CA GLN B 291 -18.056 -7.421 -8.312 1.00 0.00 C ATOM 2039 C GLN B 291 -19.007 -8.615 -8.237 1.00 0.00 C ATOM 2040 O GLN B 291 -18.705 -9.708 -8.723 1.00 0.00 O ATOM 2041 CB GLN B 291 -16.743 -7.821 -9.002 1.00 0.00 C ATOM 2042 CG GLN B 291 -15.775 -6.665 -9.203 1.00 0.00 C ATOM 2043 CD GLN B 291 -16.267 -5.652 -10.220 1.00 0.00 C ATOM 2044 OE1 GLN B 291 -15.994 -5.773 -11.415 1.00 0.00 O ATOM 2045 NE2 GLN B 291 -16.985 -4.644 -9.757 1.00 0.00 N ATOM 0 H GLN B 291 -18.108 -5.918 -6.847 1.00 0.00 H new ATOM 0 HA GLN B 291 -18.529 -6.640 -8.907 1.00 0.00 H new ATOM 0 HB2 GLN B 291 -16.253 -8.593 -8.409 1.00 0.00 H new ATOM 0 HB3 GLN B 291 -16.973 -8.262 -9.972 1.00 0.00 H new ATOM 0 HG2 GLN B 291 -15.612 -6.164 -8.249 1.00 0.00 H new ATOM 0 HG3 GLN B 291 -14.811 -7.057 -9.526 1.00 0.00 H new ATOM 0 HE21 GLN B 291 -17.190 -4.579 -8.760 1.00 0.00 H new ATOM 0 HE22 GLN B 291 -17.335 -3.931 -10.397 1.00 0.00 H new ATOM 2054 N SER B 292 -20.150 -8.397 -7.609 1.00 0.00 N ATOM 2055 CA SER B 292 -21.160 -9.425 -7.462 1.00 0.00 C ATOM 2056 C SER B 292 -22.358 -9.089 -8.346 1.00 0.00 C ATOM 2057 O SER B 292 -22.392 -9.564 -9.498 1.00 0.00 O ATOM 2058 CB SER B 292 -21.577 -9.540 -5.990 1.00 0.00 C ATOM 2059 OG SER B 292 -22.376 -10.689 -5.750 1.00 0.00 O ATOM 2060 OXT SER B 292 -23.241 -8.324 -7.904 1.00 0.00 O ATOM 0 H SER B 292 -20.401 -7.503 -7.188 1.00 0.00 H new ATOM 0 HA SER B 292 -20.755 -10.387 -7.776 1.00 0.00 H new ATOM 0 HB2 SER B 292 -20.686 -9.581 -5.363 1.00 0.00 H new ATOM 0 HB3 SER B 292 -22.130 -8.647 -5.699 1.00 0.00 H new ATOM 0 HG SER B 292 -22.619 -10.726 -4.801 1.00 0.00 H new TER 2066 SER B 292