USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 124 MET CE :methyl 155:sc= -0.297 (180deg=-1) USER MOD Set 1.2: A 126 HIS : no HD1:sc= -2.33! C(o=-2.6!,f=-3.5!) USER MOD Set 2.1: A 120 SER OG : rot 45:sc= 0.89 USER MOD Set 2.2: A 122 ASN : amide:sc= -0.477 K(o=0.41,f=-2.4) USER MOD Set 3.1: A 27 SER OG : rot -22:sc= 0.867 USER MOD Set 3.2: A 113 SER OG : rot -104:sc= 1.77 USER MOD Set 3.3: A 115 SER OG : rot 180:sc= 0.739 USER MOD Set 4.1: A 108 TYR OH : rot 180:sc= 0.812 USER MOD Set 4.2: A 118 SER OG : rot 136:sc= 0.95 USER MOD Set 5.1: A 102 GLN :FLIP amide:sc= -0.395 X(o=-0.76,f=-0.71) USER MOD Set 5.2: A 119 HIS :FLIP no HE2:sc= -0.317 F(o=-2.3!,f=-0.71) USER MOD Set 6.1: A 98 THR OG1 : rot 78:sc= 0.365 USER MOD Set 6.2: A 127 SER OG : rot -106:sc= 1.08 USER MOD Set 7.1: A 91 SER OG : rot 180:sc= -0.536 USER MOD Set 7.2: A 131 THR OG1 : rot -149:sc= 0.0296 USER MOD Set 8.1: A 29 TYR OH : rot -176:sc= 0.798 USER MOD Set 8.2: A 76 GLN : amide:sc= 0.636 K(o=1.4,f=-1.2) USER MOD Set 9.1: A 38 THR OG1 : rot 110:sc= -1.28! USER MOD Set 9.2: A 47 GLN :FLIP amide:sc= 0.157 F(o=-3.4!,f=-1.1) USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0226 F(o=-1.2,f=-0.023) USER MOD Single : A 42 SER OG : rot -147:sc= 1.28 USER MOD Single : A 43 LYS NZ :NH3+ -173:sc= 1.03 (180deg=0.752) USER MOD Single : A 45 GLN : amide:sc= -1.24! C(o=-1.2!,f=-6.8!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0832) USER MOD Single : A 57 HIS : no HE2:sc= 0.392 K(o=0.39,f=-4.7!) USER MOD Single : A 58 MET CE :methyl 161:sc= -0.191 (180deg=-0.719) USER MOD Single : A 61 SER OG : rot 117:sc= -2.22! USER MOD Single : A 62 GLN : amide:sc= -0.0476 X(o=-0.048,f=-0.023) USER MOD Single : A 63 SER OG : rot 84:sc= 1.73 USER MOD Single : A 67 SER OG : rot -102:sc= 1.21 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.112) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.057 F(o=-0.83,f=-0.057) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -165:sc= -0.0246 (180deg=-0.268) USER MOD Single : A 82 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.084) USER MOD Single : A 85 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.1) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0104 USER MOD Single : A 103 SER OG : rot 180:sc=0.000653 USER MOD Single : A 104 SER OG : rot -81:sc= 0.288 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.0984 F(o=-0.83,f=-0.098) USER MOD Single : A 116 ASN : amide:sc= -1.09 X(o=-1.1,f=-1) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -8.753 -1.391 10.660 1.00 0.00 N ATOM 24 CA LEU A 26 -7.316 -1.183 10.587 1.00 0.00 C ATOM 25 C LEU A 26 -7.012 -0.223 9.450 1.00 0.00 C ATOM 26 O LEU A 26 -6.450 -0.598 8.426 1.00 0.00 O ATOM 27 CB LEU A 26 -6.584 -2.512 10.384 1.00 0.00 C ATOM 28 CG LEU A 26 -5.057 -2.438 10.456 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.598 -1.866 11.791 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.457 -3.813 10.244 1.00 0.00 C ATOM 0 HA LEU A 26 -6.966 -0.755 11.526 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.933 -3.218 11.138 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.866 -2.918 9.412 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.712 -1.772 9.665 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.509 -1.825 11.814 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.002 -0.861 11.914 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.954 -2.502 12.601 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.370 -3.748 10.297 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.818 -4.491 11.017 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.750 -4.191 9.265 1.00 0.00 H new ATOM 42 N SER A 27 -7.400 1.020 9.635 1.00 0.00 N ATOM 43 CA SER A 27 -7.316 2.001 8.576 1.00 0.00 C ATOM 44 C SER A 27 -6.031 2.802 8.710 1.00 0.00 C ATOM 45 O SER A 27 -5.487 2.931 9.806 1.00 0.00 O ATOM 46 CB SER A 27 -8.524 2.936 8.655 1.00 0.00 C ATOM 47 OG SER A 27 -9.719 2.210 8.884 1.00 0.00 O ATOM 0 H SER A 27 -7.778 1.376 10.513 1.00 0.00 H new ATOM 0 HA SER A 27 -7.313 1.493 7.612 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.376 3.660 9.457 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.611 3.502 7.727 1.00 0.00 H new ATOM 0 HG SER A 27 -9.597 1.281 8.598 1.00 0.00 H new ATOM 53 N TRP A 28 -5.552 3.358 7.601 1.00 0.00 N ATOM 54 CA TRP A 28 -4.367 4.210 7.642 1.00 0.00 C ATOM 55 C TRP A 28 -4.698 5.585 8.233 1.00 0.00 C ATOM 56 O TRP A 28 -3.958 6.551 8.053 1.00 0.00 O ATOM 57 CB TRP A 28 -3.715 4.335 6.252 1.00 0.00 C ATOM 58 CG TRP A 28 -4.641 4.736 5.138 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.685 5.611 5.202 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.575 4.290 3.778 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.285 5.720 3.973 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.619 4.924 3.080 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.737 3.413 3.080 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.851 4.709 1.726 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.967 3.204 1.732 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.015 3.849 1.069 1.00 0.00 C ATOM 0 H TRP A 28 -5.960 3.237 6.674 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.639 3.734 8.299 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.909 5.066 6.312 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.259 3.378 5.996 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.994 6.141 6.091 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.096 6.300 3.759 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.926 2.909 3.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.662 5.203 1.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.326 2.531 1.182 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.168 3.664 0.016 1.00 0.00 H new ATOM 77 N TYR A 29 -5.829 5.653 8.928 1.00 0.00 N ATOM 78 CA TYR A 29 -6.220 6.830 9.680 1.00 0.00 C ATOM 79 C TYR A 29 -6.151 6.540 11.179 1.00 0.00 C ATOM 80 O TYR A 29 -6.340 7.436 12.001 1.00 0.00 O ATOM 81 CB TYR A 29 -7.640 7.268 9.306 1.00 0.00 C ATOM 82 CG TYR A 29 -7.768 7.821 7.903 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.295 9.091 7.593 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.370 7.081 6.893 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.413 9.606 6.317 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.491 7.591 5.613 1.00 0.00 C ATOM 87 CZ TYR A 29 -8.011 8.854 5.331 1.00 0.00 C ATOM 88 OH TYR A 29 -8.124 9.365 4.058 1.00 0.00 O ATOM 0 H TYR A 29 -6.500 4.887 8.983 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.530 7.637 9.434 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.311 6.415 9.411 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.973 8.026 10.015 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.827 9.685 8.364 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.749 6.093 7.110 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.038 10.594 6.094 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.959 7.003 4.837 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.625 8.737 3.497 1.00 0.00 H new ATOM 98 N ASP A 30 -5.885 5.278 11.527 1.00 0.00 N ATOM 99 CA ASP A 30 -5.793 4.872 12.926 1.00 0.00 C ATOM 100 C ASP A 30 -4.486 5.356 13.535 1.00 0.00 C ATOM 101 O ASP A 30 -3.429 5.281 12.906 1.00 0.00 O ATOM 102 CB ASP A 30 -5.895 3.349 13.079 1.00 0.00 C ATOM 103 CG ASP A 30 -7.324 2.836 13.042 1.00 0.00 C ATOM 104 OD1 ASP A 30 -8.069 3.087 14.014 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.701 2.166 12.060 1.00 0.00 O ATOM 0 H ASP A 30 -5.730 4.523 10.858 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.632 5.328 13.453 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.324 2.872 12.282 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.435 3.054 14.022 1.00 0.00 H new ATOM 110 N PRO A 31 -4.541 5.843 14.782 1.00 0.00 N ATOM 111 CA PRO A 31 -3.379 6.420 15.466 1.00 0.00 C ATOM 112 C PRO A 31 -2.357 5.366 15.884 1.00 0.00 C ATOM 113 O PRO A 31 -1.316 5.684 16.459 1.00 0.00 O ATOM 114 CB PRO A 31 -3.994 7.089 16.696 1.00 0.00 C ATOM 115 CG PRO A 31 -5.230 6.307 16.967 1.00 0.00 C ATOM 116 CD PRO A 31 -5.749 5.871 15.625 1.00 0.00 C ATOM 0 HA PRO A 31 -2.825 7.102 14.821 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.312 7.060 17.546 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.222 8.138 16.505 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.016 5.446 17.601 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.968 6.914 17.492 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.225 4.892 15.677 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -6.493 6.567 15.237 1.00 0.00 H new ATOM 124 N ASP A 32 -2.663 4.110 15.599 1.00 0.00 N ATOM 125 CA ASP A 32 -1.758 3.013 15.919 1.00 0.00 C ATOM 126 C ASP A 32 -1.361 2.259 14.648 1.00 0.00 C ATOM 127 O ASP A 32 -0.817 1.158 14.703 1.00 0.00 O ATOM 128 CB ASP A 32 -2.412 2.069 16.935 1.00 0.00 C ATOM 129 CG ASP A 32 -1.430 1.090 17.551 1.00 0.00 C ATOM 130 OD1 ASP A 32 -0.452 1.544 18.184 1.00 0.00 O ATOM 131 OD2 ASP A 32 -1.635 -0.135 17.408 1.00 0.00 O ATOM 0 H ASP A 32 -3.531 3.823 15.147 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.851 3.422 16.365 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.873 2.659 17.727 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.211 1.513 16.445 1.00 0.00 H new ATOM 136 N PHE A 33 -1.628 2.868 13.495 1.00 0.00 N ATOM 137 CA PHE A 33 -1.296 2.256 12.216 1.00 0.00 C ATOM 138 C PHE A 33 0.176 2.491 11.876 1.00 0.00 C ATOM 139 O PHE A 33 0.704 3.590 12.067 1.00 0.00 O ATOM 140 CB PHE A 33 -2.198 2.814 11.110 1.00 0.00 C ATOM 141 CG PHE A 33 -1.962 2.195 9.758 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.423 0.919 9.475 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.286 2.894 8.771 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.213 0.351 8.234 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.074 2.331 7.527 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.537 1.059 7.258 1.00 0.00 C ATOM 0 H PHE A 33 -2.073 3.783 13.423 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.463 1.182 12.291 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.239 2.660 11.392 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.043 3.891 11.038 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.953 0.362 10.234 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.921 3.889 8.976 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.576 -0.645 8.026 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.546 2.886 6.766 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.371 0.617 6.286 1.00 0.00 H new ATOM 156 N GLN A 34 0.835 1.447 11.389 1.00 0.00 N ATOM 157 CA GLN A 34 2.246 1.522 11.039 1.00 0.00 C ATOM 158 C GLN A 34 2.472 1.033 9.614 1.00 0.00 C ATOM 159 O GLN A 34 2.081 -0.082 9.260 1.00 0.00 O ATOM 160 CB GLN A 34 3.076 0.687 12.016 1.00 0.00 C ATOM 161 CG GLN A 34 3.031 1.200 13.445 1.00 0.00 C ATOM 162 CD GLN A 34 3.805 0.328 14.410 1.00 0.00 C ATOM 163 OE1 GLN A 34 3.860 -0.964 14.134 1.00 0.00 O flip ATOM 164 NE2 GLN A 34 4.343 0.811 15.403 1.00 0.00 N flip ATOM 0 H GLN A 34 0.411 0.534 11.227 1.00 0.00 H new ATOM 0 HA GLN A 34 2.562 2.563 11.103 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.717 -0.342 11.997 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.112 0.670 11.677 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.434 2.212 13.475 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.993 1.261 13.771 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.278 1.813 15.582 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.855 0.210 16.049 1.00 0.00 H new ATOM 173 N ALA A 35 3.098 1.869 8.800 1.00 0.00 N ATOM 174 CA ALA A 35 3.384 1.515 7.420 1.00 0.00 C ATOM 175 C ALA A 35 4.724 2.087 6.975 1.00 0.00 C ATOM 176 O ALA A 35 5.257 3.012 7.596 1.00 0.00 O ATOM 177 CB ALA A 35 2.274 2.002 6.496 1.00 0.00 C ATOM 0 H ALA A 35 3.418 2.798 9.073 1.00 0.00 H new ATOM 0 HA ALA A 35 3.437 0.428 7.361 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.509 1.726 5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.330 1.543 6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.188 3.086 6.570 1.00 0.00 H new ATOM 183 N ARG A 36 5.260 1.528 5.902 1.00 0.00 N ATOM 184 CA ARG A 36 6.518 1.983 5.339 1.00 0.00 C ATOM 185 C ARG A 36 6.489 1.822 3.826 1.00 0.00 C ATOM 186 O ARG A 36 5.639 1.115 3.280 1.00 0.00 O ATOM 187 CB ARG A 36 7.694 1.173 5.896 1.00 0.00 C ATOM 188 CG ARG A 36 7.701 -0.270 5.424 1.00 0.00 C ATOM 189 CD ARG A 36 9.072 -0.907 5.567 1.00 0.00 C ATOM 190 NE ARG A 36 9.483 -1.067 6.959 1.00 0.00 N ATOM 191 CZ ARG A 36 9.990 -2.192 7.443 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.074 -3.265 6.670 1.00 0.00 N ATOM 193 NH2 ARG A 36 10.409 -2.254 8.694 1.00 0.00 N ATOM 0 H ARG A 36 4.836 0.749 5.399 1.00 0.00 H new ATOM 0 HA ARG A 36 6.649 3.031 5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.628 1.650 5.600 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.657 1.192 6.985 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.973 -0.843 5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.388 -0.312 4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.066 -1.883 5.081 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.807 -0.295 5.045 1.00 0.00 H new ATOM 0 HE ARG A 36 9.375 -0.273 7.590 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.749 -3.224 5.704 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.464 -4.131 7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.344 -1.432 9.295 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.798 -3.123 9.059 1.00 0.00 H new ATOM 206 N LEU A 37 7.416 2.475 3.156 1.00 0.00 N ATOM 207 CA LEU A 37 7.594 2.292 1.730 1.00 0.00 C ATOM 208 C LEU A 37 8.897 1.552 1.484 1.00 0.00 C ATOM 209 O LEU A 37 9.956 1.994 1.935 1.00 0.00 O ATOM 210 CB LEU A 37 7.613 3.643 1.017 1.00 0.00 C ATOM 211 CG LEU A 37 6.338 4.474 1.170 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.537 5.862 0.585 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.165 3.779 0.495 1.00 0.00 C ATOM 0 H LEU A 37 8.062 3.141 3.579 1.00 0.00 H new ATOM 0 HA LEU A 37 6.762 1.710 1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.455 4.224 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.793 3.474 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 37 6.117 4.573 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.621 6.441 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.352 6.363 1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.781 5.779 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.266 4.384 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.379 3.652 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.008 2.803 0.953 1.00 0.00 H new ATOM 225 N THR A 38 8.816 0.414 0.814 1.00 0.00 N ATOM 226 CA THR A 38 10.008 -0.350 0.488 1.00 0.00 C ATOM 227 C THR A 38 10.896 0.452 -0.457 1.00 0.00 C ATOM 228 O THR A 38 10.387 1.169 -1.321 1.00 0.00 O ATOM 229 CB THR A 38 9.654 -1.719 -0.125 1.00 0.00 C ATOM 230 OG1 THR A 38 8.655 -1.562 -1.136 1.00 0.00 O ATOM 231 CG2 THR A 38 9.147 -2.675 0.948 1.00 0.00 C ATOM 0 H THR A 38 7.942 0.001 0.487 1.00 0.00 H new ATOM 0 HA THR A 38 10.553 -0.541 1.412 1.00 0.00 H new ATOM 0 HB THR A 38 10.557 -2.137 -0.570 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.050 -1.734 -2.016 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.903 -3.635 0.494 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.920 -2.817 1.703 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.255 -2.257 1.415 1.00 0.00 H new ATOM 239 N ARG A 39 12.209 0.319 -0.274 1.00 0.00 N ATOM 240 CA ARG A 39 13.201 1.193 -0.909 1.00 0.00 C ATOM 241 C ARG A 39 12.894 1.510 -2.376 1.00 0.00 C ATOM 242 O ARG A 39 12.785 2.677 -2.734 1.00 0.00 O ATOM 243 CB ARG A 39 14.605 0.586 -0.784 1.00 0.00 C ATOM 244 CG ARG A 39 14.736 -0.788 -1.415 1.00 0.00 C ATOM 245 CD ARG A 39 16.137 -1.342 -1.278 1.00 0.00 C ATOM 246 NE ARG A 39 16.308 -2.551 -2.072 1.00 0.00 N ATOM 247 CZ ARG A 39 16.245 -3.782 -1.582 1.00 0.00 C ATOM 248 NH1 ARG A 39 16.002 -3.974 -0.292 1.00 0.00 N ATOM 249 NH2 ARG A 39 16.402 -4.820 -2.385 1.00 0.00 N ATOM 0 H ARG A 39 12.619 -0.401 0.321 1.00 0.00 H new ATOM 0 HA ARG A 39 13.155 2.141 -0.373 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.325 1.259 -1.249 1.00 0.00 H new ATOM 0 HB3 ARG A 39 14.869 0.518 0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.028 -1.472 -0.946 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.471 -0.729 -2.471 1.00 0.00 H new ATOM 0 HD2 ARG A 39 16.860 -0.591 -1.595 1.00 0.00 H new ATOM 0 HD3 ARG A 39 16.343 -1.560 -0.230 1.00 0.00 H new ATOM 0 HE ARG A 39 16.488 -2.444 -3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.863 -3.174 0.325 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.954 -4.922 0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.571 -4.674 -3.380 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.354 -5.767 -2.010 1.00 0.00 H new ATOM 262 N SER A 40 12.742 0.474 -3.207 1.00 0.00 N ATOM 263 CA SER A 40 12.568 0.636 -4.654 1.00 0.00 C ATOM 264 C SER A 40 13.765 1.376 -5.264 1.00 0.00 C ATOM 265 O SER A 40 14.655 0.753 -5.849 1.00 0.00 O ATOM 266 CB SER A 40 11.249 1.359 -4.965 1.00 0.00 C ATOM 267 OG SER A 40 10.988 1.402 -6.361 1.00 0.00 O ATOM 0 H SER A 40 12.736 -0.498 -2.897 1.00 0.00 H new ATOM 0 HA SER A 40 12.521 -0.354 -5.108 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.428 0.853 -4.457 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.289 2.375 -4.571 1.00 0.00 H new ATOM 0 HG SER A 40 10.141 1.867 -6.521 1.00 0.00 H new ATOM 273 N ASN A 41 13.795 2.694 -5.114 1.00 0.00 N ATOM 274 CA ASN A 41 14.932 3.496 -5.551 1.00 0.00 C ATOM 275 C ASN A 41 15.172 4.644 -4.576 1.00 0.00 C ATOM 276 O ASN A 41 16.315 4.965 -4.247 1.00 0.00 O ATOM 277 CB ASN A 41 14.717 4.041 -6.964 1.00 0.00 C ATOM 278 CG ASN A 41 15.968 4.693 -7.529 1.00 0.00 C ATOM 279 OD1 ASN A 41 17.131 4.145 -7.194 1.00 0.00 O flip ATOM 280 ND2 ASN A 41 15.888 5.664 -8.280 1.00 0.00 N flip ATOM 0 H ASN A 41 13.040 3.234 -4.690 1.00 0.00 H new ATOM 0 HA ASN A 41 15.811 2.852 -5.568 1.00 0.00 H new ATOM 0 HB2 ASN A 41 14.406 3.229 -7.621 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.906 4.769 -6.950 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.975 6.055 -8.512 1.00 0.00 H new ATOM 0 HD22 ASN A 41 16.735 6.078 -8.670 1.00 0.00 H new ATOM 287 N SER A 42 14.093 5.256 -4.111 1.00 0.00 N ATOM 288 CA SER A 42 14.181 6.314 -3.121 1.00 0.00 C ATOM 289 C SER A 42 13.299 5.972 -1.928 1.00 0.00 C ATOM 290 O SER A 42 12.228 5.389 -2.085 1.00 0.00 O ATOM 291 CB SER A 42 13.767 7.660 -3.723 1.00 0.00 C ATOM 292 OG SER A 42 14.136 8.732 -2.866 1.00 0.00 O ATOM 0 H SER A 42 13.142 5.035 -4.407 1.00 0.00 H new ATOM 0 HA SER A 42 15.216 6.399 -2.790 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.239 7.788 -4.697 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.689 7.674 -3.887 1.00 0.00 H new ATOM 0 HG SER A 42 13.480 9.455 -2.946 1.00 0.00 H new ATOM 298 N LYS A 43 13.737 6.373 -0.743 1.00 0.00 N ATOM 299 CA LYS A 43 13.092 5.972 0.512 1.00 0.00 C ATOM 300 C LYS A 43 11.783 6.735 0.765 1.00 0.00 C ATOM 301 O LYS A 43 11.341 6.865 1.907 1.00 0.00 O ATOM 302 CB LYS A 43 14.058 6.164 1.698 1.00 0.00 C ATOM 303 CG LYS A 43 14.315 7.617 2.096 1.00 0.00 C ATOM 304 CD LYS A 43 15.085 8.390 1.037 1.00 0.00 C ATOM 305 CE LYS A 43 15.268 9.845 1.442 1.00 0.00 C ATOM 306 NZ LYS A 43 13.962 10.521 1.659 1.00 0.00 N ATOM 0 H LYS A 43 14.545 6.983 -0.618 1.00 0.00 H new ATOM 0 HA LYS A 43 12.839 4.916 0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.659 5.632 2.562 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.011 5.698 1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.362 8.113 2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.872 7.639 3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.060 7.927 0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.553 8.338 0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.862 9.897 2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.827 10.371 0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.119 11.537 1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.360 10.390 0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.492 10.110 2.491 1.00 0.00 H new ATOM 319 N CYS A 44 11.169 7.229 -0.297 1.00 0.00 N ATOM 320 CA CYS A 44 9.910 7.951 -0.190 1.00 0.00 C ATOM 321 C CYS A 44 8.970 7.545 -1.328 1.00 0.00 C ATOM 322 O CYS A 44 7.921 8.157 -1.553 1.00 0.00 O ATOM 323 CB CYS A 44 10.174 9.458 -0.209 1.00 0.00 C ATOM 324 SG CYS A 44 8.688 10.490 -0.005 1.00 0.00 S ATOM 0 H CYS A 44 11.524 7.143 -1.249 1.00 0.00 H new ATOM 0 HA CYS A 44 9.428 7.697 0.754 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.880 9.700 0.585 1.00 0.00 H new ATOM 0 HB3 CYS A 44 10.654 9.718 -1.153 1.00 0.00 H new ATOM 329 N GLN A 45 9.349 6.496 -2.044 1.00 0.00 N ATOM 330 CA GLN A 45 8.527 5.971 -3.118 1.00 0.00 C ATOM 331 C GLN A 45 8.810 4.492 -3.306 1.00 0.00 C ATOM 332 O GLN A 45 9.961 4.067 -3.287 1.00 0.00 O ATOM 333 CB GLN A 45 8.766 6.755 -4.423 1.00 0.00 C ATOM 334 CG GLN A 45 10.222 6.815 -4.881 1.00 0.00 C ATOM 335 CD GLN A 45 10.654 5.610 -5.706 1.00 0.00 C ATOM 336 OE1 GLN A 45 11.813 5.204 -5.666 1.00 0.00 O ATOM 337 NE2 GLN A 45 9.732 5.045 -6.473 1.00 0.00 N ATOM 0 H GLN A 45 10.224 5.992 -1.898 1.00 0.00 H new ATOM 0 HA GLN A 45 7.477 6.091 -2.852 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.170 6.303 -5.215 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.400 7.773 -4.290 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.371 7.720 -5.470 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.866 6.895 -4.005 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.780 5.411 -6.479 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.975 4.245 -7.057 1.00 0.00 H new ATOM 346 N GLY A 46 7.765 3.705 -3.457 1.00 0.00 N ATOM 347 CA GLY A 46 7.964 2.293 -3.671 1.00 0.00 C ATOM 348 C GLY A 46 6.753 1.472 -3.316 1.00 0.00 C ATOM 349 O GLY A 46 5.642 1.997 -3.224 1.00 0.00 O ATOM 0 H GLY A 46 6.793 4.012 -3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.220 2.121 -4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.813 1.956 -3.076 1.00 0.00 H new ATOM 353 N GLN A 47 6.972 0.180 -3.113 1.00 0.00 N ATOM 354 CA GLN A 47 5.898 -0.740 -2.777 1.00 0.00 C ATOM 355 C GLN A 47 5.447 -0.514 -1.340 1.00 0.00 C ATOM 356 O GLN A 47 6.275 -0.448 -0.422 1.00 0.00 O ATOM 357 CB GLN A 47 6.350 -2.197 -2.961 1.00 0.00 C ATOM 358 CG GLN A 47 6.758 -2.564 -4.384 1.00 0.00 C ATOM 359 CD GLN A 47 8.133 -2.046 -4.786 1.00 0.00 C ATOM 360 OE1 GLN A 47 9.038 -1.930 -3.827 1.00 0.00 O flip ATOM 361 NE2 GLN A 47 8.379 -1.761 -5.955 1.00 0.00 N flip ATOM 0 H GLN A 47 7.892 -0.256 -3.176 1.00 0.00 H new ATOM 0 HA GLN A 47 5.062 -0.551 -3.450 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.192 -2.389 -2.296 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.540 -2.856 -2.648 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.745 -3.649 -4.486 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.015 -2.170 -5.077 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.656 -1.863 -6.668 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.306 -1.422 -6.213 1.00 0.00 H new ATOM 370 N LEU A 48 4.144 -0.392 -1.151 1.00 0.00 N ATOM 371 CA LEU A 48 3.585 -0.150 0.165 1.00 0.00 C ATOM 372 C LEU A 48 3.657 -1.414 1.012 1.00 0.00 C ATOM 373 O LEU A 48 3.147 -2.468 0.621 1.00 0.00 O ATOM 374 CB LEU A 48 2.129 0.322 0.053 1.00 0.00 C ATOM 375 CG LEU A 48 1.448 0.672 1.381 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.109 1.878 2.033 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.035 0.930 1.164 1.00 0.00 C ATOM 0 H LEU A 48 3.452 -0.457 -1.897 1.00 0.00 H new ATOM 0 HA LEU A 48 4.171 0.633 0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.098 1.199 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.549 -0.458 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 48 1.560 -0.178 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.606 2.104 2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.159 1.657 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.036 2.737 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.504 1.177 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.162 1.761 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.503 0.037 0.750 1.00 0.00 H new ATOM 389 N GLU A 49 4.311 -1.306 2.156 1.00 0.00 N ATOM 390 CA GLU A 49 4.397 -2.407 3.094 1.00 0.00 C ATOM 391 C GLU A 49 3.832 -1.954 4.431 1.00 0.00 C ATOM 392 O GLU A 49 4.243 -0.925 4.974 1.00 0.00 O ATOM 393 CB GLU A 49 5.847 -2.881 3.247 1.00 0.00 C ATOM 394 CG GLU A 49 5.988 -4.191 4.007 1.00 0.00 C ATOM 395 CD GLU A 49 7.434 -4.584 4.231 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.065 -4.046 5.160 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.948 -5.441 3.476 1.00 0.00 O ATOM 0 H GLU A 49 4.793 -0.459 2.457 1.00 0.00 H new ATOM 0 HA GLU A 49 3.817 -3.251 2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.288 -2.997 2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.419 -2.109 3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.486 -4.103 4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.482 -4.983 3.455 1.00 0.00 H new ATOM 404 N VAL A 50 2.874 -2.699 4.947 1.00 0.00 N ATOM 405 CA VAL A 50 2.176 -2.298 6.159 1.00 0.00 C ATOM 406 C VAL A 50 2.385 -3.310 7.276 1.00 0.00 C ATOM 407 O VAL A 50 2.593 -4.499 7.025 1.00 0.00 O ATOM 408 CB VAL A 50 0.660 -2.110 5.913 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.411 -0.992 4.910 1.00 0.00 C ATOM 410 CG2 VAL A 50 0.021 -3.405 5.433 1.00 0.00 C ATOM 0 H VAL A 50 2.560 -3.584 4.549 1.00 0.00 H new ATOM 0 HA VAL A 50 2.600 -1.340 6.461 1.00 0.00 H new ATOM 0 HB VAL A 50 0.199 -1.833 6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.661 -0.877 4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.823 -0.059 5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.893 -1.238 3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.045 -3.245 5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.490 -3.718 4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.159 -4.180 6.187 1.00 0.00 H new ATOM 420 N TYR A 51 2.346 -2.825 8.508 1.00 0.00 N ATOM 421 CA TYR A 51 2.495 -3.685 9.666 1.00 0.00 C ATOM 422 C TYR A 51 1.127 -4.102 10.178 1.00 0.00 C ATOM 423 O TYR A 51 0.397 -3.298 10.760 1.00 0.00 O ATOM 424 CB TYR A 51 3.279 -2.977 10.781 1.00 0.00 C ATOM 425 CG TYR A 51 3.532 -3.853 11.993 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.605 -4.736 12.027 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.692 -3.800 13.101 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.833 -5.539 13.127 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.915 -4.598 14.203 1.00 0.00 C ATOM 430 CZ TYR A 51 3.985 -5.466 14.211 1.00 0.00 C ATOM 431 OH TYR A 51 4.209 -6.266 15.308 1.00 0.00 O ATOM 0 H TYR A 51 2.212 -1.838 8.729 1.00 0.00 H new ATOM 0 HA TYR A 51 3.055 -4.571 9.366 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.235 -2.637 10.383 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.730 -2.089 11.093 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.271 -4.795 11.179 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.851 -3.122 13.098 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.671 -6.220 13.138 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.254 -4.543 15.056 1.00 0.00 H new ATOM 0 HH TYR A 51 3.522 -6.092 15.985 1.00 0.00 H new ATOM 441 N LEU A 52 0.769 -5.347 9.935 1.00 0.00 N ATOM 442 CA LEU A 52 -0.475 -5.884 10.452 1.00 0.00 C ATOM 443 C LEU A 52 -0.193 -6.633 11.746 1.00 0.00 C ATOM 444 O LEU A 52 0.929 -6.590 12.251 1.00 0.00 O ATOM 445 CB LEU A 52 -1.140 -6.809 9.428 1.00 0.00 C ATOM 446 CG LEU A 52 -1.327 -6.225 8.024 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.136 -7.179 7.165 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.002 -4.863 8.079 1.00 0.00 C ATOM 0 H LEU A 52 1.320 -6.005 9.384 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.164 -5.063 10.649 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.544 -7.718 9.346 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.117 -7.102 9.812 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.341 -6.093 7.578 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.263 -6.754 6.169 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.613 -8.132 7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.114 -7.337 7.619 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.121 -4.475 7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.981 -4.961 8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.388 -4.176 8.662 1.00 0.00 H new ATOM 460 N LYS A 53 -1.191 -7.317 12.285 1.00 0.00 N ATOM 461 CA LYS A 53 -1.006 -8.056 13.529 1.00 0.00 C ATOM 462 C LYS A 53 0.022 -9.170 13.335 1.00 0.00 C ATOM 463 O LYS A 53 0.777 -9.506 14.250 1.00 0.00 O ATOM 464 CB LYS A 53 -2.334 -8.635 14.038 1.00 0.00 C ATOM 465 CG LYS A 53 -3.395 -7.583 14.347 1.00 0.00 C ATOM 466 CD LYS A 53 -4.187 -7.191 13.108 1.00 0.00 C ATOM 467 CE LYS A 53 -5.071 -5.976 13.359 1.00 0.00 C ATOM 468 NZ LYS A 53 -5.942 -6.143 14.556 1.00 0.00 N ATOM 0 H LYS A 53 -2.128 -7.377 11.887 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.636 -7.360 14.282 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.728 -9.324 13.291 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.142 -9.218 14.939 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.076 -7.967 15.106 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.917 -6.698 14.767 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.499 -6.976 12.290 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.806 -8.031 12.792 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.443 -5.095 13.490 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.694 -5.796 12.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.650 -5.382 14.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.424 -7.063 14.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.360 -6.101 15.417 1.00 0.00 H new ATOM 481 N ASP A 54 0.047 -9.727 12.133 1.00 0.00 N ATOM 482 CA ASP A 54 1.018 -10.755 11.774 1.00 0.00 C ATOM 483 C ASP A 54 2.412 -10.154 11.603 1.00 0.00 C ATOM 484 O ASP A 54 3.398 -10.700 12.106 1.00 0.00 O ATOM 485 CB ASP A 54 0.587 -11.467 10.486 1.00 0.00 C ATOM 486 CG ASP A 54 0.243 -10.494 9.374 1.00 0.00 C ATOM 487 OD1 ASP A 54 -0.882 -9.957 9.389 1.00 0.00 O ATOM 488 OD2 ASP A 54 1.102 -10.254 8.498 1.00 0.00 O ATOM 0 H ASP A 54 -0.599 -9.483 11.383 1.00 0.00 H new ATOM 0 HA ASP A 54 1.057 -11.483 12.584 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.389 -12.126 10.153 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.278 -12.097 10.694 1.00 0.00 H new ATOM 493 N GLY A 55 2.496 -9.033 10.903 1.00 0.00 N ATOM 494 CA GLY A 55 3.773 -8.382 10.696 1.00 0.00 C ATOM 495 C GLY A 55 3.782 -7.501 9.463 1.00 0.00 C ATOM 496 O GLY A 55 2.731 -7.048 9.011 1.00 0.00 O ATOM 0 H GLY A 55 1.700 -8.561 10.473 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.016 -7.779 11.571 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.552 -9.139 10.604 1.00 0.00 H new ATOM 500 N TRP A 56 4.968 -7.266 8.914 1.00 0.00 N ATOM 501 CA TRP A 56 5.122 -6.414 7.739 1.00 0.00 C ATOM 502 C TRP A 56 4.799 -7.185 6.468 1.00 0.00 C ATOM 503 O TRP A 56 5.482 -8.155 6.127 1.00 0.00 O ATOM 504 CB TRP A 56 6.547 -5.851 7.666 1.00 0.00 C ATOM 505 CG TRP A 56 6.838 -4.820 8.718 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.504 -5.006 9.898 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.467 -3.438 8.681 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.563 -3.822 10.595 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.933 -2.846 9.870 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.781 -2.643 7.759 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.739 -1.499 10.158 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.589 -1.306 8.048 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.063 -0.748 9.239 1.00 0.00 C ATOM 0 H TRP A 56 5.842 -7.656 9.266 1.00 0.00 H new ATOM 0 HA TRP A 56 4.421 -5.584 7.829 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.259 -6.671 7.765 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.705 -5.409 6.682 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.922 -5.944 10.233 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.005 -3.692 11.505 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.408 -3.066 6.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.109 -1.063 11.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.063 -0.681 7.341 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.891 0.300 9.437 1.00 0.00 H new ATOM 524 N HIS A 57 3.758 -6.752 5.773 1.00 0.00 N ATOM 525 CA HIS A 57 3.333 -7.402 4.539 1.00 0.00 C ATOM 526 C HIS A 57 3.153 -6.380 3.423 1.00 0.00 C ATOM 527 O HIS A 57 2.700 -5.259 3.659 1.00 0.00 O ATOM 528 CB HIS A 57 2.026 -8.175 4.754 1.00 0.00 C ATOM 529 CG HIS A 57 2.217 -9.656 4.888 1.00 0.00 C ATOM 530 ND1 HIS A 57 1.930 -10.363 6.038 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.655 -10.570 3.991 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.178 -11.642 5.842 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.620 -11.797 4.607 1.00 0.00 N ATOM 0 H HIS A 57 3.189 -5.950 6.043 1.00 0.00 H new ATOM 0 HA HIS A 57 4.113 -8.105 4.247 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.535 -7.798 5.651 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.356 -7.978 3.917 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.580 -9.958 6.906 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.973 -10.371 2.978 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.043 -12.430 6.568 1.00 0.00 H new ATOM 541 N MET A 58 3.529 -6.774 2.212 1.00 0.00 N ATOM 542 CA MET A 58 3.381 -5.916 1.042 1.00 0.00 C ATOM 543 C MET A 58 1.927 -5.894 0.595 1.00 0.00 C ATOM 544 O MET A 58 1.227 -6.895 0.715 1.00 0.00 O ATOM 545 CB MET A 58 4.256 -6.421 -0.109 1.00 0.00 C ATOM 546 CG MET A 58 5.741 -6.434 0.203 1.00 0.00 C ATOM 547 SD MET A 58 6.719 -7.161 -1.129 1.00 0.00 S ATOM 548 CE MET A 58 6.258 -6.109 -2.504 1.00 0.00 C ATOM 0 H MET A 58 3.940 -7.686 2.014 1.00 0.00 H new ATOM 0 HA MET A 58 3.696 -4.908 1.313 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.942 -7.431 -0.374 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.085 -5.794 -0.984 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.080 -5.414 0.384 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.911 -6.994 1.122 1.00 0.00 H new ATOM 0 HE1 MET A 58 7.002 -6.198 -3.296 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.284 -6.415 -2.885 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.208 -5.073 -2.169 1.00 0.00 H new ATOM 558 N VAL A 59 1.473 -4.764 0.073 1.00 0.00 N ATOM 559 CA VAL A 59 0.091 -4.647 -0.376 1.00 0.00 C ATOM 560 C VAL A 59 0.001 -4.768 -1.899 1.00 0.00 C ATOM 561 O VAL A 59 0.754 -4.128 -2.633 1.00 0.00 O ATOM 562 CB VAL A 59 -0.550 -3.310 0.070 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.018 -3.241 -0.332 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.400 -3.115 1.573 1.00 0.00 C ATOM 0 H VAL A 59 2.034 -3.921 -0.050 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.461 -5.465 0.087 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.023 -2.503 -0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.440 -2.291 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.103 -3.322 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.563 -4.061 0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.857 -2.170 1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.893 -3.934 2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.658 -3.102 1.834 1.00 0.00 H new ATOM 574 N CYS A 60 -0.916 -5.609 -2.359 1.00 0.00 N ATOM 575 CA CYS A 60 -1.176 -5.764 -3.785 1.00 0.00 C ATOM 576 C CYS A 60 -2.281 -4.789 -4.199 1.00 0.00 C ATOM 577 O CYS A 60 -3.208 -4.543 -3.422 1.00 0.00 O ATOM 578 CB CYS A 60 -1.588 -7.212 -4.087 1.00 0.00 C ATOM 579 SG CYS A 60 -1.506 -7.673 -5.849 1.00 0.00 S ATOM 0 H CYS A 60 -1.496 -6.198 -1.761 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.273 -5.542 -4.353 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.946 -7.885 -3.519 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.606 -7.368 -3.731 1.00 0.00 H new ATOM 584 N SER A 61 -2.195 -4.246 -5.412 1.00 0.00 N ATOM 585 CA SER A 61 -3.110 -3.190 -5.848 1.00 0.00 C ATOM 586 C SER A 61 -4.496 -3.732 -6.201 1.00 0.00 C ATOM 587 O SER A 61 -5.305 -3.035 -6.805 1.00 0.00 O ATOM 588 CB SER A 61 -2.526 -2.442 -7.050 1.00 0.00 C ATOM 589 OG SER A 61 -2.443 -3.282 -8.188 1.00 0.00 O ATOM 0 H SER A 61 -1.503 -4.518 -6.110 1.00 0.00 H new ATOM 0 HA SER A 61 -3.227 -2.504 -5.009 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.147 -1.576 -7.279 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.534 -2.066 -6.800 1.00 0.00 H new ATOM 0 HG SER A 61 -3.024 -2.933 -8.896 1.00 0.00 H new ATOM 595 N GLN A 62 -4.768 -4.975 -5.841 1.00 0.00 N ATOM 596 CA GLN A 62 -6.093 -5.546 -6.039 1.00 0.00 C ATOM 597 C GLN A 62 -6.922 -5.389 -4.768 1.00 0.00 C ATOM 598 O GLN A 62 -8.032 -5.913 -4.664 1.00 0.00 O ATOM 599 CB GLN A 62 -5.991 -7.025 -6.418 1.00 0.00 C ATOM 600 CG GLN A 62 -5.222 -7.284 -7.704 1.00 0.00 C ATOM 601 CD GLN A 62 -5.913 -6.733 -8.936 1.00 0.00 C ATOM 602 OE1 GLN A 62 -6.721 -7.414 -9.567 1.00 0.00 O ATOM 603 NE2 GLN A 62 -5.594 -5.498 -9.292 1.00 0.00 N ATOM 0 H GLN A 62 -4.093 -5.608 -5.411 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.582 -5.013 -6.854 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.509 -7.565 -5.604 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.997 -7.433 -6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.230 -6.839 -7.622 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.080 -8.358 -7.825 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.919 -4.967 -8.742 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.023 -5.078 -10.117 1.00 0.00 H new ATOM 612 N SER A 63 -6.369 -4.659 -3.805 1.00 0.00 N ATOM 613 CA SER A 63 -7.017 -4.458 -2.521 1.00 0.00 C ATOM 614 C SER A 63 -8.055 -3.345 -2.604 1.00 0.00 C ATOM 615 O SER A 63 -7.756 -2.249 -3.082 1.00 0.00 O ATOM 616 CB SER A 63 -5.973 -4.117 -1.452 1.00 0.00 C ATOM 617 OG SER A 63 -5.007 -5.151 -1.347 1.00 0.00 O ATOM 0 H SER A 63 -5.465 -4.194 -3.895 1.00 0.00 H new ATOM 0 HA SER A 63 -7.524 -5.383 -2.247 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.481 -3.177 -1.703 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.464 -3.972 -0.490 1.00 0.00 H new ATOM 0 HG SER A 63 -4.315 -5.022 -2.029 1.00 0.00 H new ATOM 623 N TRP A 64 -9.263 -3.646 -2.119 1.00 0.00 N ATOM 624 CA TRP A 64 -10.408 -2.721 -2.139 1.00 0.00 C ATOM 625 C TRP A 64 -10.890 -2.489 -3.568 1.00 0.00 C ATOM 626 O TRP A 64 -12.021 -2.823 -3.915 1.00 0.00 O ATOM 627 CB TRP A 64 -10.058 -1.383 -1.471 1.00 0.00 C ATOM 628 CG TRP A 64 -9.484 -1.533 -0.093 1.00 0.00 C ATOM 629 CD1 TRP A 64 -10.099 -2.069 1.002 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.175 -1.140 0.335 1.00 0.00 C ATOM 631 NE1 TRP A 64 -9.249 -2.033 2.083 1.00 0.00 N ATOM 632 CE2 TRP A 64 -8.064 -1.470 1.699 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.085 -0.544 -0.305 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.909 -1.219 2.430 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.941 -0.298 0.425 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.860 -0.636 1.778 1.00 0.00 C ATOM 0 H TRP A 64 -9.479 -4.548 -1.696 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.214 -3.182 -1.569 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.343 -0.849 -2.097 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.956 -0.767 -1.417 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.104 -2.463 1.017 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -9.468 -2.372 3.020 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.137 -0.281 -1.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.843 -1.476 3.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.093 0.164 -0.058 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.948 -0.432 2.320 1.00 0.00 H new ATOM 647 N GLY A 65 -10.024 -1.921 -4.382 1.00 0.00 N ATOM 648 CA GLY A 65 -10.309 -1.739 -5.782 1.00 0.00 C ATOM 649 C GLY A 65 -9.305 -2.500 -6.614 1.00 0.00 C ATOM 650 O GLY A 65 -8.106 -2.452 -6.333 1.00 0.00 O ATOM 0 H GLY A 65 -9.110 -1.576 -4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.318 -2.087 -6.005 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.275 -0.679 -6.034 1.00 0.00 H new ATOM 654 N ARG A 66 -9.775 -3.215 -7.622 1.00 0.00 N ATOM 655 CA ARG A 66 -8.895 -4.026 -8.448 1.00 0.00 C ATOM 656 C ARG A 66 -8.156 -3.131 -9.428 1.00 0.00 C ATOM 657 O ARG A 66 -8.553 -2.967 -10.581 1.00 0.00 O ATOM 658 CB ARG A 66 -9.677 -5.126 -9.180 1.00 0.00 C ATOM 659 CG ARG A 66 -10.249 -6.193 -8.245 1.00 0.00 C ATOM 660 CD ARG A 66 -11.425 -5.666 -7.432 1.00 0.00 C ATOM 661 NE ARG A 66 -11.782 -6.548 -6.317 1.00 0.00 N ATOM 662 CZ ARG A 66 -12.941 -6.475 -5.660 1.00 0.00 C ATOM 663 NH1 ARG A 66 -13.881 -5.629 -6.065 1.00 0.00 N ATOM 664 NH2 ARG A 66 -13.172 -7.251 -4.609 1.00 0.00 N ATOM 0 H ARG A 66 -10.759 -3.251 -7.888 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.168 -4.524 -7.807 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.493 -4.669 -9.740 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.021 -5.605 -9.907 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.570 -7.054 -8.831 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.467 -6.540 -7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.179 -4.678 -7.044 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -12.289 -5.546 -8.086 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.108 -7.256 -6.028 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.717 -5.035 -6.878 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.767 -5.573 -5.563 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.460 -7.911 -4.296 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.061 -7.187 -4.114 1.00 0.00 H new ATOM 677 N SER A 67 -7.076 -2.548 -8.943 1.00 0.00 N ATOM 678 CA SER A 67 -6.369 -1.512 -9.660 1.00 0.00 C ATOM 679 C SER A 67 -5.406 -2.082 -10.694 1.00 0.00 C ATOM 680 O SER A 67 -4.213 -2.260 -10.424 1.00 0.00 O ATOM 681 CB SER A 67 -5.611 -0.638 -8.665 1.00 0.00 C ATOM 682 OG SER A 67 -6.447 -0.269 -7.582 1.00 0.00 O ATOM 0 H SER A 67 -6.666 -2.782 -8.039 1.00 0.00 H new ATOM 0 HA SER A 67 -7.104 -0.916 -10.200 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.740 -1.176 -8.291 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.242 0.256 -9.167 1.00 0.00 H new ATOM 0 HG SER A 67 -6.755 0.653 -7.706 1.00 0.00 H new ATOM 688 N SER A 68 -5.938 -2.402 -11.866 1.00 0.00 N ATOM 689 CA SER A 68 -5.106 -2.649 -13.033 1.00 0.00 C ATOM 690 C SER A 68 -4.701 -1.301 -13.613 1.00 0.00 C ATOM 691 O SER A 68 -3.666 -1.159 -14.264 1.00 0.00 O ATOM 692 CB SER A 68 -5.865 -3.482 -14.069 1.00 0.00 C ATOM 693 OG SER A 68 -6.353 -4.686 -13.494 1.00 0.00 O ATOM 0 H SER A 68 -6.940 -2.496 -12.032 1.00 0.00 H new ATOM 0 HA SER A 68 -4.218 -3.215 -12.750 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.697 -2.902 -14.469 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.207 -3.715 -14.906 1.00 0.00 H new ATOM 0 HG SER A 68 -6.836 -5.201 -14.174 1.00 0.00 H new ATOM 699 N LYS A 69 -5.542 -0.312 -13.333 1.00 0.00 N ATOM 700 CA LYS A 69 -5.287 1.069 -13.688 1.00 0.00 C ATOM 701 C LYS A 69 -5.235 1.881 -12.395 1.00 0.00 C ATOM 702 O LYS A 69 -5.636 1.388 -11.342 1.00 0.00 O ATOM 703 CB LYS A 69 -6.394 1.582 -14.621 1.00 0.00 C ATOM 704 CG LYS A 69 -6.078 2.908 -15.301 1.00 0.00 C ATOM 705 CD LYS A 69 -4.781 2.837 -16.097 1.00 0.00 C ATOM 706 CE LYS A 69 -4.550 4.103 -16.906 1.00 0.00 C ATOM 707 NZ LYS A 69 -5.511 4.228 -18.035 1.00 0.00 N ATOM 0 H LYS A 69 -6.428 -0.453 -12.848 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.340 1.165 -14.219 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.584 0.831 -15.387 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.314 1.692 -14.047 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.898 3.181 -15.965 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.001 3.694 -14.549 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.944 2.682 -15.416 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.811 1.977 -16.766 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.642 4.971 -16.254 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.532 4.103 -17.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.207 4.997 -18.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.540 3.335 -18.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.458 4.440 -17.662 1.00 0.00 H new ATOM 720 N GLN A 70 -4.738 3.106 -12.461 1.00 0.00 N ATOM 721 CA GLN A 70 -4.533 3.904 -11.261 1.00 0.00 C ATOM 722 C GLN A 70 -5.759 4.756 -10.952 1.00 0.00 C ATOM 723 O GLN A 70 -6.388 5.311 -11.860 1.00 0.00 O ATOM 724 CB GLN A 70 -3.294 4.788 -11.430 1.00 0.00 C ATOM 725 CG GLN A 70 -2.914 5.566 -10.181 1.00 0.00 C ATOM 726 CD GLN A 70 -1.677 6.417 -10.386 1.00 0.00 C ATOM 727 OE1 GLN A 70 -0.513 5.841 -10.131 1.00 0.00 O flip ATOM 728 NE2 GLN A 70 -1.764 7.578 -10.781 1.00 0.00 N flip ATOM 0 H GLN A 70 -4.470 3.569 -13.329 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.377 3.229 -10.420 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.452 4.163 -11.726 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.470 5.491 -12.244 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.747 6.205 -9.886 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.741 4.869 -9.361 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.680 7.986 -10.967 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.920 8.133 -10.923 1.00 0.00 H new ATOM 737 N TRP A 71 -6.098 4.844 -9.670 1.00 0.00 N ATOM 738 CA TRP A 71 -7.211 5.669 -9.222 1.00 0.00 C ATOM 739 C TRP A 71 -6.744 7.101 -9.009 1.00 0.00 C ATOM 740 O TRP A 71 -5.607 7.340 -8.599 1.00 0.00 O ATOM 741 CB TRP A 71 -7.818 5.115 -7.928 1.00 0.00 C ATOM 742 CG TRP A 71 -8.428 3.758 -8.089 1.00 0.00 C ATOM 743 CD1 TRP A 71 -7.808 2.557 -7.910 1.00 0.00 C ATOM 744 CD2 TRP A 71 -9.778 3.461 -8.464 1.00 0.00 C ATOM 745 NE1 TRP A 71 -8.687 1.531 -8.148 1.00 0.00 N ATOM 746 CE2 TRP A 71 -9.904 2.059 -8.491 1.00 0.00 C ATOM 747 CE3 TRP A 71 -10.892 4.241 -8.780 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -11.099 1.425 -8.818 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -12.077 3.610 -9.104 1.00 0.00 C ATOM 750 CH2 TRP A 71 -12.171 2.214 -9.122 1.00 0.00 C ATOM 0 H TRP A 71 -5.614 4.350 -8.920 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.981 5.654 -9.993 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -7.043 5.068 -7.163 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.579 5.807 -7.568 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -6.775 2.432 -7.622 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -8.470 0.537 -8.081 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.828 5.319 -8.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.176 0.348 -8.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -12.946 4.204 -9.348 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.111 1.751 -9.382 1.00 0.00 H new ATOM 761 N GLU A 72 -7.624 8.050 -9.274 1.00 0.00 N ATOM 762 CA GLU A 72 -7.263 9.456 -9.225 1.00 0.00 C ATOM 763 C GLU A 72 -7.624 10.078 -7.880 1.00 0.00 C ATOM 764 O GLU A 72 -8.383 11.047 -7.813 1.00 0.00 O ATOM 765 CB GLU A 72 -7.966 10.200 -10.357 1.00 0.00 C ATOM 766 CG GLU A 72 -7.646 9.648 -11.734 1.00 0.00 C ATOM 767 CD GLU A 72 -8.684 10.032 -12.762 1.00 0.00 C ATOM 768 OE1 GLU A 72 -9.693 9.308 -12.889 1.00 0.00 O ATOM 769 OE2 GLU A 72 -8.503 11.059 -13.445 1.00 0.00 O ATOM 0 H GLU A 72 -8.596 7.872 -9.526 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.183 9.539 -9.346 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.043 10.154 -10.197 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.683 11.252 -10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.670 10.015 -12.052 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.576 8.562 -11.680 1.00 0.00 H new ATOM 776 N ASP A 73 -7.097 9.503 -6.809 1.00 0.00 N ATOM 777 CA ASP A 73 -7.266 10.068 -5.471 1.00 0.00 C ATOM 778 C ASP A 73 -6.135 9.596 -4.558 1.00 0.00 C ATOM 779 O ASP A 73 -6.291 8.637 -3.802 1.00 0.00 O ATOM 780 CB ASP A 73 -8.622 9.683 -4.861 1.00 0.00 C ATOM 781 CG ASP A 73 -8.965 10.529 -3.641 1.00 0.00 C ATOM 782 OD1 ASP A 73 -8.263 10.428 -2.616 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.945 11.306 -3.709 1.00 0.00 O ATOM 0 H ASP A 73 -6.547 8.644 -6.837 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.235 11.154 -5.562 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.403 9.799 -5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.606 8.630 -4.578 1.00 0.00 H new ATOM 788 N PRO A 74 -4.964 10.246 -4.644 1.00 0.00 N ATOM 789 CA PRO A 74 -3.821 9.938 -3.786 1.00 0.00 C ATOM 790 C PRO A 74 -3.953 10.587 -2.412 1.00 0.00 C ATOM 791 O PRO A 74 -3.166 10.319 -1.506 1.00 0.00 O ATOM 792 CB PRO A 74 -2.619 10.528 -4.549 1.00 0.00 C ATOM 793 CG PRO A 74 -3.170 11.071 -5.830 1.00 0.00 C ATOM 794 CD PRO A 74 -4.634 11.310 -5.594 1.00 0.00 C ATOM 0 HA PRO A 74 -3.728 8.869 -3.596 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.136 11.314 -3.968 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.866 9.764 -4.741 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.665 11.996 -6.109 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.018 10.366 -6.648 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.825 12.300 -5.181 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.214 11.231 -6.513 1.00 0.00 H new ATOM 802 N SER A 75 -4.970 11.430 -2.271 1.00 0.00 N ATOM 803 CA SER A 75 -5.218 12.163 -1.037 1.00 0.00 C ATOM 804 C SER A 75 -5.438 11.206 0.135 1.00 0.00 C ATOM 805 O SER A 75 -5.085 11.511 1.277 1.00 0.00 O ATOM 806 CB SER A 75 -6.437 13.071 -1.224 1.00 0.00 C ATOM 807 OG SER A 75 -6.682 13.873 -0.081 1.00 0.00 O ATOM 0 H SER A 75 -5.646 11.624 -3.010 1.00 0.00 H new ATOM 0 HA SER A 75 -4.344 12.772 -0.807 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.281 13.713 -2.091 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.315 12.460 -1.433 1.00 0.00 H new ATOM 0 HG SER A 75 -7.466 14.439 -0.240 1.00 0.00 H new ATOM 813 N GLN A 76 -6.012 10.042 -0.155 1.00 0.00 N ATOM 814 CA GLN A 76 -6.259 9.028 0.866 1.00 0.00 C ATOM 815 C GLN A 76 -4.955 8.568 1.515 1.00 0.00 C ATOM 816 O GLN A 76 -4.934 8.163 2.676 1.00 0.00 O ATOM 817 CB GLN A 76 -6.988 7.827 0.256 1.00 0.00 C ATOM 818 CG GLN A 76 -8.310 8.189 -0.399 1.00 0.00 C ATOM 819 CD GLN A 76 -9.314 8.761 0.583 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.337 8.394 1.760 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.143 9.675 0.107 1.00 0.00 N ATOM 0 H GLN A 76 -6.316 9.777 -1.092 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.886 9.476 1.637 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.341 7.357 -0.485 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.169 7.087 1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.131 8.914 -1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.733 7.301 -0.869 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.090 9.950 -0.874 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.835 10.105 0.721 1.00 0.00 H new ATOM 830 N ALA A 77 -3.861 8.672 0.773 1.00 0.00 N ATOM 831 CA ALA A 77 -2.576 8.169 1.237 1.00 0.00 C ATOM 832 C ALA A 77 -1.723 9.279 1.840 1.00 0.00 C ATOM 833 O ALA A 77 -0.547 9.071 2.145 1.00 0.00 O ATOM 834 CB ALA A 77 -1.833 7.493 0.096 1.00 0.00 C ATOM 0 H ALA A 77 -3.838 9.100 -0.153 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.769 7.437 2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.874 7.121 0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.426 6.660 -0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.666 8.212 -0.706 1.00 0.00 H new ATOM 840 N SER A 78 -2.318 10.455 2.020 1.00 0.00 N ATOM 841 CA SER A 78 -1.605 11.592 2.595 1.00 0.00 C ATOM 842 C SER A 78 -1.075 11.260 3.992 1.00 0.00 C ATOM 843 O SER A 78 -0.007 11.731 4.386 1.00 0.00 O ATOM 844 CB SER A 78 -2.515 12.823 2.654 1.00 0.00 C ATOM 845 OG SER A 78 -1.818 13.956 3.143 1.00 0.00 O ATOM 0 H SER A 78 -3.290 10.645 1.777 1.00 0.00 H new ATOM 0 HA SER A 78 -0.754 11.814 1.951 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.907 13.036 1.660 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.371 12.615 3.296 1.00 0.00 H new ATOM 0 HG SER A 78 -2.423 14.727 3.168 1.00 0.00 H new ATOM 851 N LYS A 79 -1.821 10.443 4.733 1.00 0.00 N ATOM 852 CA LYS A 79 -1.395 10.023 6.062 1.00 0.00 C ATOM 853 C LYS A 79 -0.115 9.204 5.993 1.00 0.00 C ATOM 854 O LYS A 79 0.791 9.401 6.796 1.00 0.00 O ATOM 855 CB LYS A 79 -2.495 9.219 6.757 1.00 0.00 C ATOM 856 CG LYS A 79 -3.666 10.067 7.223 1.00 0.00 C ATOM 857 CD LYS A 79 -3.231 11.084 8.270 1.00 0.00 C ATOM 858 CE LYS A 79 -4.391 11.952 8.723 1.00 0.00 C ATOM 859 NZ LYS A 79 -4.965 12.739 7.598 1.00 0.00 N ATOM 0 H LYS A 79 -2.719 10.061 4.436 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.198 10.923 6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.861 8.453 6.073 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.068 8.701 7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.105 10.585 6.370 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.441 9.423 7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.808 10.564 9.129 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.443 11.715 7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.167 11.323 9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.053 12.631 9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.571 13.495 7.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.195 13.160 7.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.531 12.113 6.990 1.00 0.00 H new ATOM 872 N VAL A 80 -0.031 8.310 5.014 1.00 0.00 N ATOM 873 CA VAL A 80 1.143 7.460 4.865 1.00 0.00 C ATOM 874 C VAL A 80 2.374 8.307 4.552 1.00 0.00 C ATOM 875 O VAL A 80 3.425 8.129 5.166 1.00 0.00 O ATOM 876 CB VAL A 80 0.957 6.387 3.767 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.221 5.549 3.617 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.233 5.490 4.082 1.00 0.00 C ATOM 0 H VAL A 80 -0.758 8.156 4.315 1.00 0.00 H new ATOM 0 HA VAL A 80 1.283 6.941 5.814 1.00 0.00 H new ATOM 0 HB VAL A 80 0.763 6.899 2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.071 4.800 2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.055 6.195 3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.443 5.053 4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.344 4.743 3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.069 4.990 5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.139 6.094 4.139 1.00 0.00 H new ATOM 888 N CYS A 81 2.230 9.244 3.618 1.00 0.00 N ATOM 889 CA CYS A 81 3.324 10.152 3.284 1.00 0.00 C ATOM 890 C CYS A 81 3.764 10.937 4.520 1.00 0.00 C ATOM 891 O CYS A 81 4.954 11.163 4.731 1.00 0.00 O ATOM 892 CB CYS A 81 2.915 11.119 2.164 1.00 0.00 C ATOM 893 SG CYS A 81 2.597 10.325 0.552 1.00 0.00 S ATOM 0 H CYS A 81 1.374 9.394 3.083 1.00 0.00 H new ATOM 0 HA CYS A 81 4.162 9.551 2.930 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.017 11.654 2.474 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.702 11.863 2.039 1.00 0.00 H new ATOM 898 N GLN A 82 2.798 11.330 5.346 1.00 0.00 N ATOM 899 CA GLN A 82 3.087 12.058 6.578 1.00 0.00 C ATOM 900 C GLN A 82 3.895 11.179 7.533 1.00 0.00 C ATOM 901 O GLN A 82 4.883 11.625 8.114 1.00 0.00 O ATOM 902 CB GLN A 82 1.772 12.526 7.229 1.00 0.00 C ATOM 903 CG GLN A 82 1.934 13.439 8.446 1.00 0.00 C ATOM 904 CD GLN A 82 1.971 12.689 9.769 1.00 0.00 C ATOM 905 OE1 GLN A 82 0.929 12.422 10.370 1.00 0.00 O ATOM 906 NE2 GLN A 82 3.164 12.375 10.250 1.00 0.00 N ATOM 0 H GLN A 82 1.806 11.156 5.184 1.00 0.00 H new ATOM 0 HA GLN A 82 3.686 12.939 6.345 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.181 13.050 6.478 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.201 11.647 7.528 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.853 14.014 8.338 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.111 14.154 8.466 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.005 12.612 9.724 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.242 11.896 11.147 1.00 0.00 H new ATOM 915 N ARG A 83 3.491 9.921 7.659 1.00 0.00 N ATOM 916 CA ARG A 83 4.158 8.977 8.559 1.00 0.00 C ATOM 917 C ARG A 83 5.577 8.666 8.071 1.00 0.00 C ATOM 918 O ARG A 83 6.444 8.290 8.859 1.00 0.00 O ATOM 919 CB ARG A 83 3.345 7.680 8.675 1.00 0.00 C ATOM 920 CG ARG A 83 1.905 7.885 9.133 1.00 0.00 C ATOM 921 CD ARG A 83 1.804 8.239 10.607 1.00 0.00 C ATOM 922 NE ARG A 83 1.930 7.060 11.462 1.00 0.00 N ATOM 923 CZ ARG A 83 1.858 7.098 12.789 1.00 0.00 C ATOM 924 NH1 ARG A 83 1.744 8.260 13.419 1.00 0.00 N ATOM 925 NH2 ARG A 83 1.910 5.976 13.490 1.00 0.00 N ATOM 0 H ARG A 83 2.701 9.526 7.148 1.00 0.00 H new ATOM 0 HA ARG A 83 4.226 9.440 9.543 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.339 7.180 7.706 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.846 7.012 9.375 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.449 8.678 8.541 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.334 6.976 8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.584 8.957 10.862 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.848 8.726 10.799 1.00 0.00 H new ATOM 0 HE ARG A 83 2.082 6.156 11.015 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.711 9.129 12.885 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.689 8.285 14.437 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.006 5.080 13.012 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.855 6.008 14.508 1.00 0.00 H new ATOM 938 N LEU A 84 5.806 8.830 6.770 1.00 0.00 N ATOM 939 CA LEU A 84 7.128 8.612 6.188 1.00 0.00 C ATOM 940 C LEU A 84 7.937 9.908 6.146 1.00 0.00 C ATOM 941 O LEU A 84 9.059 9.932 5.639 1.00 0.00 O ATOM 942 CB LEU A 84 7.012 8.032 4.771 1.00 0.00 C ATOM 943 CG LEU A 84 6.953 6.503 4.667 1.00 0.00 C ATOM 944 CD1 LEU A 84 8.232 5.883 5.200 1.00 0.00 C ATOM 945 CD2 LEU A 84 5.742 5.947 5.402 1.00 0.00 C ATOM 0 H LEU A 84 5.092 9.113 6.098 1.00 0.00 H new ATOM 0 HA LEU A 84 7.649 7.897 6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.116 8.442 4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.863 8.382 4.187 1.00 0.00 H new ATOM 0 HG LEU A 84 6.853 6.242 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.172 4.798 5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.081 6.244 4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.363 6.161 6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.728 4.861 5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.798 6.221 6.455 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.832 6.360 4.968 1.00 0.00 H new ATOM 957 N ASN A 85 7.351 10.978 6.693 1.00 0.00 N ATOM 958 CA ASN A 85 7.976 12.304 6.717 1.00 0.00 C ATOM 959 C ASN A 85 8.238 12.795 5.291 1.00 0.00 C ATOM 960 O ASN A 85 9.318 13.282 4.959 1.00 0.00 O ATOM 961 CB ASN A 85 9.274 12.279 7.541 1.00 0.00 C ATOM 962 CG ASN A 85 9.767 13.669 7.913 1.00 0.00 C ATOM 963 OD1 ASN A 85 9.344 14.241 8.916 1.00 0.00 O ATOM 964 ND2 ASN A 85 10.678 14.210 7.122 1.00 0.00 N ATOM 0 H ASN A 85 6.430 10.949 7.131 1.00 0.00 H new ATOM 0 HA ASN A 85 7.290 13.002 7.197 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.109 11.702 8.451 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.049 11.764 6.973 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.055 15.134 7.335 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.004 13.704 6.299 1.00 0.00 H new ATOM 971 N CYS A 86 7.231 12.659 4.448 1.00 0.00 N ATOM 972 CA CYS A 86 7.330 13.081 3.062 1.00 0.00 C ATOM 973 C CYS A 86 6.321 14.180 2.755 1.00 0.00 C ATOM 974 O CYS A 86 5.492 14.524 3.602 1.00 0.00 O ATOM 975 CB CYS A 86 7.104 11.896 2.124 1.00 0.00 C ATOM 976 SG CYS A 86 8.503 10.737 2.002 1.00 0.00 S ATOM 0 H CYS A 86 6.329 12.257 4.701 1.00 0.00 H new ATOM 0 HA CYS A 86 8.334 13.475 2.903 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.225 11.347 2.461 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.879 12.277 1.128 1.00 0.00 H new ATOM 981 N GLY A 87 6.403 14.725 1.547 1.00 0.00 N ATOM 982 CA GLY A 87 5.458 15.741 1.117 1.00 0.00 C ATOM 983 C GLY A 87 4.110 15.159 0.722 1.00 0.00 C ATOM 984 O GLY A 87 3.674 14.143 1.274 1.00 0.00 O ATOM 0 H GLY A 87 7.110 14.481 0.854 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.316 16.463 1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.876 16.285 0.270 1.00 0.00 H new ATOM 988 N ASP A 88 3.442 15.808 -0.222 1.00 0.00 N ATOM 989 CA ASP A 88 2.149 15.338 -0.719 1.00 0.00 C ATOM 990 C ASP A 88 2.315 14.080 -1.568 1.00 0.00 C ATOM 991 O ASP A 88 3.391 13.832 -2.121 1.00 0.00 O ATOM 992 CB ASP A 88 1.456 16.424 -1.548 1.00 0.00 C ATOM 993 CG ASP A 88 0.861 17.532 -0.701 1.00 0.00 C ATOM 994 OD1 ASP A 88 -0.247 17.338 -0.158 1.00 0.00 O ATOM 995 OD2 ASP A 88 1.485 18.608 -0.591 1.00 0.00 O ATOM 0 H ASP A 88 3.773 16.666 -0.663 1.00 0.00 H new ATOM 0 HA ASP A 88 1.531 15.102 0.147 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.175 16.854 -2.245 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.666 15.968 -2.145 1.00 0.00 H new ATOM 1000 N PRO A 89 1.255 13.263 -1.674 1.00 0.00 N ATOM 1001 CA PRO A 89 1.263 12.049 -2.482 1.00 0.00 C ATOM 1002 C PRO A 89 1.035 12.350 -3.962 1.00 0.00 C ATOM 1003 O PRO A 89 0.008 12.913 -4.342 1.00 0.00 O ATOM 1004 CB PRO A 89 0.098 11.219 -1.920 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.528 12.041 -0.836 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.040 13.449 -1.017 1.00 0.00 C ATOM 0 HA PRO A 89 2.223 11.534 -2.430 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.627 10.990 -2.701 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.454 10.267 -1.527 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.615 11.998 -0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.250 11.660 0.147 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.723 14.038 -1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.061 13.967 -0.064 1.00 0.00 H new ATOM 1014 N LEU A 90 1.998 11.965 -4.786 1.00 0.00 N ATOM 1015 CA LEU A 90 1.937 12.215 -6.219 1.00 0.00 C ATOM 1016 C LEU A 90 1.042 11.176 -6.889 1.00 0.00 C ATOM 1017 O LEU A 90 0.133 11.518 -7.646 1.00 0.00 O ATOM 1018 CB LEU A 90 3.352 12.163 -6.816 1.00 0.00 C ATOM 1019 CG LEU A 90 3.590 13.009 -8.077 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.068 13.007 -8.438 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.768 12.502 -9.253 1.00 0.00 C ATOM 0 H LEU A 90 2.839 11.474 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 90 1.517 13.205 -6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.058 12.484 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.586 11.125 -7.051 1.00 0.00 H new ATOM 0 HG LEU A 90 3.272 14.028 -7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.225 13.609 -9.333 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.645 13.426 -7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.395 11.985 -8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.961 13.124 -10.127 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.045 11.471 -9.473 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.708 12.548 -9.003 1.00 0.00 H new ATOM 1033 N SER A 91 1.298 9.911 -6.587 1.00 0.00 N ATOM 1034 CA SER A 91 0.578 8.814 -7.211 1.00 0.00 C ATOM 1035 C SER A 91 0.370 7.665 -6.227 1.00 0.00 C ATOM 1036 O SER A 91 1.190 7.448 -5.330 1.00 0.00 O ATOM 1037 CB SER A 91 1.347 8.325 -8.439 1.00 0.00 C ATOM 1038 OG SER A 91 2.719 8.132 -8.134 1.00 0.00 O ATOM 0 H SER A 91 2.003 9.620 -5.910 1.00 0.00 H new ATOM 0 HA SER A 91 -0.403 9.175 -7.519 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.915 7.390 -8.795 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.249 9.050 -9.247 1.00 0.00 H new ATOM 0 HG SER A 91 3.191 7.818 -8.933 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.727 6.938 -6.407 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.063 5.803 -5.555 1.00 0.00 C ATOM 1046 C LEU A 92 -1.779 4.734 -6.374 1.00 0.00 C ATOM 1047 O LEU A 92 -2.764 5.025 -7.053 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.962 6.259 -4.398 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.429 5.150 -3.445 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -1.292 4.693 -2.545 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.619 5.621 -2.615 1.00 0.00 C ATOM 0 H LEU A 92 -1.407 7.118 -7.146 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.143 5.385 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.425 7.010 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.842 6.749 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.746 4.298 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.648 3.907 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.476 4.308 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.935 5.536 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.935 4.821 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.331 6.493 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.443 5.886 -3.278 1.00 0.00 H new ATOM 1063 N GLY A 93 -1.279 3.510 -6.328 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.923 2.427 -7.049 1.00 0.00 C ATOM 1065 C GLY A 93 -0.921 1.466 -7.654 1.00 0.00 C ATOM 1066 O GLY A 93 0.125 1.218 -7.061 1.00 0.00 O ATOM 0 H GLY A 93 -0.443 3.245 -5.808 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.582 1.883 -6.372 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.549 2.841 -7.839 1.00 0.00 H new ATOM 1070 N PRO A 94 -1.209 0.908 -8.841 1.00 0.00 N ATOM 1071 CA PRO A 94 -0.286 0.000 -9.525 1.00 0.00 C ATOM 1072 C PRO A 94 0.926 0.745 -10.078 1.00 0.00 C ATOM 1073 O PRO A 94 0.947 1.154 -11.243 1.00 0.00 O ATOM 1074 CB PRO A 94 -1.129 -0.582 -10.661 1.00 0.00 C ATOM 1075 CG PRO A 94 -2.177 0.442 -10.923 1.00 0.00 C ATOM 1076 CD PRO A 94 -2.453 1.113 -9.604 1.00 0.00 C ATOM 0 HA PRO A 94 0.119 -0.761 -8.858 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.524 -0.764 -11.549 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.572 -1.536 -10.376 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.837 1.166 -11.663 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.081 -0.020 -11.321 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.674 2.173 -9.732 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.310 0.667 -9.100 1.00 0.00 H new ATOM 1084 N PHE A 95 1.931 0.922 -9.237 1.00 0.00 N ATOM 1085 CA PHE A 95 3.104 1.696 -9.610 1.00 0.00 C ATOM 1086 C PHE A 95 4.104 0.830 -10.361 1.00 0.00 C ATOM 1087 O PHE A 95 4.401 1.084 -11.527 1.00 0.00 O ATOM 1088 CB PHE A 95 3.757 2.318 -8.370 1.00 0.00 C ATOM 1089 CG PHE A 95 4.919 3.224 -8.686 1.00 0.00 C ATOM 1090 CD1 PHE A 95 4.708 4.484 -9.229 1.00 0.00 C ATOM 1091 CD2 PHE A 95 6.221 2.814 -8.448 1.00 0.00 C ATOM 1092 CE1 PHE A 95 5.771 5.315 -9.522 1.00 0.00 C ATOM 1093 CE2 PHE A 95 7.287 3.643 -8.740 1.00 0.00 C ATOM 1094 CZ PHE A 95 7.063 4.894 -9.277 1.00 0.00 C ATOM 0 H PHE A 95 1.959 0.541 -8.291 1.00 0.00 H new ATOM 0 HA PHE A 95 2.784 2.501 -10.271 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.005 2.884 -7.820 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.099 1.520 -7.712 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.700 4.818 -9.425 1.00 0.00 H new ATOM 0 HD2 PHE A 95 6.405 1.835 -8.030 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.592 6.294 -9.942 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.297 3.311 -8.548 1.00 0.00 H new ATOM 0 HZ PHE A 95 7.896 5.542 -9.505 1.00 0.00 H new ATOM 1104 N LEU A 96 4.596 -0.201 -9.700 1.00 0.00 N ATOM 1105 CA LEU A 96 5.605 -1.069 -10.283 1.00 0.00 C ATOM 1106 C LEU A 96 5.235 -2.524 -10.039 1.00 0.00 C ATOM 1107 O LEU A 96 4.603 -2.846 -9.036 1.00 0.00 O ATOM 1108 CB LEU A 96 6.978 -0.762 -9.677 1.00 0.00 C ATOM 1109 CG LEU A 96 8.157 -1.504 -10.314 1.00 0.00 C ATOM 1110 CD1 LEU A 96 8.326 -1.095 -11.768 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.435 -1.236 -9.534 1.00 0.00 C ATOM 0 H LEU A 96 4.313 -0.460 -8.755 1.00 0.00 H new ATOM 0 HA LEU A 96 5.651 -0.891 -11.357 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.160 0.310 -9.756 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.950 -1.003 -8.614 1.00 0.00 H new ATOM 0 HG LEU A 96 7.948 -2.573 -10.282 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.169 -1.633 -12.202 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.418 -1.335 -12.321 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.513 -0.023 -11.825 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.264 -1.770 -9.999 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.645 -0.167 -9.537 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.313 -1.579 -8.507 1.00 0.00 H new ATOM 1123 N LYS A 97 5.608 -3.400 -10.957 1.00 0.00 N ATOM 1124 CA LYS A 97 5.349 -4.820 -10.785 1.00 0.00 C ATOM 1125 C LYS A 97 6.565 -5.526 -10.204 1.00 0.00 C ATOM 1126 O LYS A 97 7.495 -5.877 -10.928 1.00 0.00 O ATOM 1127 CB LYS A 97 4.948 -5.495 -12.105 1.00 0.00 C ATOM 1128 CG LYS A 97 3.457 -5.443 -12.413 1.00 0.00 C ATOM 1129 CD LYS A 97 3.010 -4.073 -12.894 1.00 0.00 C ATOM 1130 CE LYS A 97 3.514 -3.775 -14.297 1.00 0.00 C ATOM 1131 NZ LYS A 97 2.913 -2.527 -14.838 1.00 0.00 N ATOM 0 H LYS A 97 6.088 -3.156 -11.823 1.00 0.00 H new ATOM 0 HA LYS A 97 4.514 -4.905 -10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.492 -5.020 -12.921 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.264 -6.538 -12.076 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.220 -6.187 -13.174 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.895 -5.712 -11.519 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.921 -4.020 -12.880 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.375 -3.310 -12.207 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.600 -3.681 -14.282 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.276 -4.610 -14.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.278 -2.353 -15.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.878 -2.627 -14.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.162 -1.727 -14.222 1.00 0.00 H new ATOM 1144 N THR A 98 6.562 -5.705 -8.893 1.00 0.00 N ATOM 1145 CA THR A 98 7.562 -6.536 -8.242 1.00 0.00 C ATOM 1146 C THR A 98 7.253 -7.993 -8.562 1.00 0.00 C ATOM 1147 O THR A 98 8.156 -8.821 -8.677 1.00 0.00 O ATOM 1148 CB THR A 98 7.545 -6.333 -6.717 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.331 -4.949 -6.422 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.855 -6.789 -6.091 1.00 0.00 C ATOM 0 H THR A 98 5.880 -5.287 -8.260 1.00 0.00 H new ATOM 0 HA THR A 98 8.551 -6.259 -8.608 1.00 0.00 H new ATOM 0 HB THR A 98 6.736 -6.932 -6.299 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.381 -4.734 -6.532 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.816 -6.634 -5.013 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.009 -7.847 -6.301 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.679 -6.212 -6.511 1.00 0.00 H new ATOM 1158 N TYR A 99 5.963 -8.272 -8.725 1.00 0.00 N ATOM 1159 CA TYR A 99 5.486 -9.569 -9.196 1.00 0.00 C ATOM 1160 C TYR A 99 6.003 -10.712 -8.318 1.00 0.00 C ATOM 1161 O TYR A 99 6.863 -11.498 -8.723 1.00 0.00 O ATOM 1162 CB TYR A 99 5.894 -9.769 -10.662 1.00 0.00 C ATOM 1163 CG TYR A 99 5.249 -10.966 -11.325 1.00 0.00 C ATOM 1164 CD1 TYR A 99 3.869 -11.045 -11.472 1.00 0.00 C ATOM 1165 CD2 TYR A 99 6.021 -12.018 -11.800 1.00 0.00 C ATOM 1166 CE1 TYR A 99 3.279 -12.138 -12.074 1.00 0.00 C ATOM 1167 CE2 TYR A 99 5.438 -13.113 -12.402 1.00 0.00 C ATOM 1168 CZ TYR A 99 4.068 -13.169 -12.538 1.00 0.00 C ATOM 1169 OH TYR A 99 3.485 -14.261 -13.135 1.00 0.00 O ATOM 0 H TYR A 99 5.217 -7.603 -8.534 1.00 0.00 H new ATOM 0 HA TYR A 99 4.398 -9.583 -9.127 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.636 -8.872 -11.225 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.977 -9.878 -10.715 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.249 -10.239 -11.110 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.095 -11.978 -11.696 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.205 -12.185 -12.181 1.00 0.00 H new ATOM 0 HE2 TYR A 99 6.053 -13.923 -12.765 1.00 0.00 H new ATOM 0 HH TYR A 99 4.181 -14.896 -13.406 1.00 0.00 H new ATOM 1179 N THR A 100 5.487 -10.774 -7.100 1.00 0.00 N ATOM 1180 CA THR A 100 5.772 -11.873 -6.192 1.00 0.00 C ATOM 1181 C THR A 100 4.579 -12.092 -5.265 1.00 0.00 C ATOM 1182 O THR A 100 4.562 -11.603 -4.133 1.00 0.00 O ATOM 1183 CB THR A 100 7.042 -11.616 -5.348 1.00 0.00 C ATOM 1184 OG1 THR A 100 8.146 -11.284 -6.200 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.399 -12.843 -4.519 1.00 0.00 C ATOM 0 H THR A 100 4.861 -10.067 -6.715 1.00 0.00 H new ATOM 0 HA THR A 100 5.951 -12.763 -6.796 1.00 0.00 H new ATOM 0 HB THR A 100 6.836 -10.782 -4.677 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.943 -11.122 -5.654 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.296 -12.638 -3.934 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.574 -13.081 -3.848 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.583 -13.689 -5.182 1.00 0.00 H new ATOM 1193 N PRO A 101 3.549 -12.808 -5.752 1.00 0.00 N ATOM 1194 CA PRO A 101 2.330 -13.079 -4.980 1.00 0.00 C ATOM 1195 C PRO A 101 2.568 -14.069 -3.838 1.00 0.00 C ATOM 1196 O PRO A 101 2.032 -15.181 -3.824 1.00 0.00 O ATOM 1197 CB PRO A 101 1.369 -13.659 -6.018 1.00 0.00 C ATOM 1198 CG PRO A 101 2.245 -14.244 -7.069 1.00 0.00 C ATOM 1199 CD PRO A 101 3.493 -13.404 -7.100 1.00 0.00 C ATOM 0 HA PRO A 101 1.949 -12.182 -4.492 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.722 -14.417 -5.577 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.720 -12.886 -6.430 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.482 -15.283 -6.842 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.747 -14.235 -8.039 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.377 -14.008 -7.308 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.441 -12.638 -7.874 1.00 0.00 H new ATOM 1207 N GLN A 102 3.391 -13.648 -2.895 1.00 0.00 N ATOM 1208 CA GLN A 102 3.699 -14.423 -1.708 1.00 0.00 C ATOM 1209 C GLN A 102 3.880 -13.453 -0.548 1.00 0.00 C ATOM 1210 O GLN A 102 3.166 -13.510 0.455 1.00 0.00 O ATOM 1211 CB GLN A 102 4.984 -15.237 -1.926 1.00 0.00 C ATOM 1212 CG GLN A 102 5.093 -16.513 -1.093 1.00 0.00 C ATOM 1213 CD GLN A 102 4.942 -16.284 0.400 1.00 0.00 C ATOM 1214 OE1 GLN A 102 6.042 -15.985 1.074 1.00 0.00 O flip ATOM 1215 NE2 GLN A 102 3.841 -16.376 0.941 1.00 0.00 N flip ATOM 0 H GLN A 102 3.870 -12.748 -2.933 1.00 0.00 H new ATOM 0 HA GLN A 102 2.890 -15.121 -1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.052 -15.503 -2.981 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.841 -14.601 -1.702 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.329 -17.217 -1.422 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.060 -16.979 -1.284 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.018 -16.608 0.386 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.751 -16.220 1.945 1.00 0.00 H new ATOM 1224 N SER A 103 4.826 -12.539 -0.720 1.00 0.00 N ATOM 1225 CA SER A 103 5.104 -11.514 0.270 1.00 0.00 C ATOM 1226 C SER A 103 4.015 -10.443 0.255 1.00 0.00 C ATOM 1227 O SER A 103 3.872 -9.666 1.203 1.00 0.00 O ATOM 1228 CB SER A 103 6.461 -10.880 -0.029 1.00 0.00 C ATOM 1229 OG SER A 103 7.393 -11.856 -0.461 1.00 0.00 O ATOM 0 H SER A 103 5.419 -12.490 -1.548 1.00 0.00 H new ATOM 0 HA SER A 103 5.122 -11.971 1.259 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.348 -10.115 -0.797 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.838 -10.382 0.864 1.00 0.00 H new ATOM 0 HG SER A 103 8.254 -11.426 -0.648 1.00 0.00 H new ATOM 1235 N SER A 104 3.256 -10.400 -0.832 1.00 0.00 N ATOM 1236 CA SER A 104 2.193 -9.425 -0.986 1.00 0.00 C ATOM 1237 C SER A 104 0.839 -10.020 -0.596 1.00 0.00 C ATOM 1238 O SER A 104 0.572 -11.204 -0.824 1.00 0.00 O ATOM 1239 CB SER A 104 2.169 -8.917 -2.431 1.00 0.00 C ATOM 1240 OG SER A 104 2.155 -9.997 -3.351 1.00 0.00 O ATOM 0 H SER A 104 3.361 -11.035 -1.623 1.00 0.00 H new ATOM 0 HA SER A 104 2.386 -8.587 -0.317 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.290 -8.292 -2.586 1.00 0.00 H new ATOM 0 HB3 SER A 104 3.042 -8.290 -2.614 1.00 0.00 H new ATOM 0 HG SER A 104 3.066 -10.340 -3.467 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.003 -9.195 0.005 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.339 -9.608 0.399 1.00 0.00 C ATOM 1248 C ILE A 105 -2.388 -8.817 -0.365 1.00 0.00 C ATOM 1249 O ILE A 105 -2.089 -7.781 -0.966 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.589 -9.416 1.914 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.267 -7.973 2.325 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.772 -10.414 2.727 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.679 -7.625 3.739 1.00 0.00 C ATOM 0 H ILE A 105 0.219 -8.226 0.232 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.417 -10.670 0.165 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.643 -9.604 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.195 -7.808 2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.764 -7.291 1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.963 -10.261 3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.057 -11.429 2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.289 -10.267 2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.416 -6.588 3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.756 -7.756 3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.162 -8.280 4.440 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.611 -9.306 -0.335 1.00 0.00 N ATOM 1266 CA ILE A 106 -4.727 -8.611 -0.943 1.00 0.00 C ATOM 1267 C ILE A 106 -5.798 -8.378 0.121 1.00 0.00 C ATOM 1268 O ILE A 106 -6.111 -9.273 0.903 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.313 -9.390 -2.153 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -6.404 -8.563 -2.837 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -5.856 -10.749 -1.725 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -7.109 -9.288 -3.967 1.00 0.00 C ATOM 0 H ILE A 106 -3.858 -10.191 0.108 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.372 -7.656 -1.332 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.507 -9.565 -2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.143 -8.267 -2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.961 -7.647 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.259 -11.270 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.052 -11.341 -1.288 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.646 -10.609 -0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.867 -8.636 -4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.383 -9.560 -4.733 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.584 -10.190 -3.580 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.327 -7.173 0.187 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.276 -6.836 1.234 1.00 0.00 C ATOM 1286 C CYS A 107 -8.588 -6.344 0.635 1.00 0.00 C ATOM 1287 O CYS A 107 -8.631 -5.910 -0.515 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.678 -5.774 2.159 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.347 -5.806 3.850 1.00 0.00 S ATOM 0 H CYS A 107 -6.120 -6.416 -0.464 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.485 -7.733 1.816 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.598 -5.912 2.204 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -6.856 -4.789 1.727 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.655 -6.429 1.410 1.00 0.00 N ATOM 1295 CA TYR A 108 -10.962 -5.984 0.962 1.00 0.00 C ATOM 1296 C TYR A 108 -11.780 -5.454 2.132 1.00 0.00 C ATOM 1297 O TYR A 108 -11.429 -5.671 3.294 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.700 -7.114 0.225 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.457 -8.499 0.792 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -10.396 -9.281 0.342 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -12.290 -9.028 1.768 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.173 -10.543 0.851 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -12.070 -10.292 2.281 1.00 0.00 C ATOM 1304 CZ TYR A 108 -11.012 -11.045 1.820 1.00 0.00 C ATOM 1305 OH TYR A 108 -10.792 -12.305 2.328 1.00 0.00 O ATOM 0 H TYR A 108 -9.641 -6.805 2.358 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.824 -5.165 0.256 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.770 -6.908 0.249 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -11.397 -7.106 -0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -9.736 -8.892 -0.419 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -13.122 -8.443 2.132 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -9.344 -11.135 0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.726 -10.689 3.042 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.472 -12.509 3.004 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.857 -4.751 1.816 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.639 -4.082 2.834 1.00 0.00 C ATOM 1317 C GLY A 109 -13.864 -2.626 2.481 1.00 0.00 C ATOM 1318 O GLY A 109 -14.366 -2.320 1.400 1.00 0.00 O ATOM 0 H GLY A 109 -13.205 -4.632 0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.600 -4.584 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.127 -4.152 3.794 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.474 -1.731 3.375 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.598 -0.303 3.125 1.00 0.00 C ATOM 1324 C GLN A 110 -12.253 0.269 2.678 1.00 0.00 C ATOM 1325 O GLN A 110 -11.213 -0.048 3.260 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.091 0.418 4.383 1.00 0.00 C ATOM 1327 CG GLN A 110 -14.347 1.902 4.165 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.438 2.167 3.142 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -16.445 1.312 3.101 1.00 0.00 O flip ATOM 1330 NE2 GLN A 110 -15.384 3.149 2.403 1.00 0.00 N flip ATOM 0 H GLN A 110 -13.069 -1.968 4.281 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.328 -0.148 2.330 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -15.010 -0.055 4.728 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.353 0.296 5.176 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -14.625 2.361 5.114 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -13.424 2.381 3.838 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.592 3.788 2.462 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.132 3.324 1.732 1.00 0.00 H new ATOM 1339 N LEU A 111 -12.290 1.100 1.634 1.00 0.00 N ATOM 1340 CA LEU A 111 -11.081 1.672 1.037 1.00 0.00 C ATOM 1341 C LEU A 111 -10.218 2.390 2.072 1.00 0.00 C ATOM 1342 O LEU A 111 -10.593 3.441 2.596 1.00 0.00 O ATOM 1343 CB LEU A 111 -11.459 2.647 -0.088 1.00 0.00 C ATOM 1344 CG LEU A 111 -10.289 3.394 -0.741 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -9.375 2.433 -1.492 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -10.810 4.475 -1.680 1.00 0.00 C ATOM 0 H LEU A 111 -13.155 1.394 1.180 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.496 0.847 0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.989 2.092 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.157 3.382 0.312 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.705 3.866 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -8.555 2.990 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.973 1.695 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.943 1.925 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.969 4.997 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.419 4.017 -2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.415 5.185 -1.117 1.00 0.00 H new ATOM 1358 N GLY A 112 -9.055 1.816 2.356 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.132 2.428 3.287 1.00 0.00 C ATOM 1360 C GLY A 112 -8.074 1.701 4.615 1.00 0.00 C ATOM 1361 O GLY A 112 -7.280 2.055 5.488 1.00 0.00 O ATOM 0 H GLY A 112 -8.736 0.934 1.955 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.136 2.448 2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.427 3.464 3.457 1.00 0.00 H new ATOM 1365 N SER A 113 -8.913 0.686 4.773 1.00 0.00 N ATOM 1366 CA SER A 113 -8.946 -0.075 6.006 1.00 0.00 C ATOM 1367 C SER A 113 -8.556 -1.528 5.754 1.00 0.00 C ATOM 1368 O SER A 113 -9.224 -2.247 5.005 1.00 0.00 O ATOM 1369 CB SER A 113 -10.340 -0.003 6.634 1.00 0.00 C ATOM 1370 OG SER A 113 -10.290 -0.299 8.020 1.00 0.00 O ATOM 0 H SER A 113 -9.576 0.375 4.063 1.00 0.00 H new ATOM 0 HA SER A 113 -8.224 0.359 6.698 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.758 0.993 6.486 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.005 -0.706 6.132 1.00 0.00 H new ATOM 0 HG SER A 113 -10.633 -1.204 8.174 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.480 -1.951 6.394 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.987 -3.318 6.288 1.00 0.00 C ATOM 1378 C PHE A 114 -7.698 -4.206 7.306 1.00 0.00 C ATOM 1379 O PHE A 114 -7.063 -4.914 8.087 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.473 -3.352 6.537 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.666 -2.573 5.531 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.196 -3.185 4.379 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.370 -1.231 5.738 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.452 -2.474 3.454 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.628 -0.519 4.815 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.168 -1.142 3.673 1.00 0.00 C ATOM 0 H PHE A 114 -6.920 -1.356 7.005 1.00 0.00 H new ATOM 0 HA PHE A 114 -7.190 -3.690 5.284 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.271 -2.958 7.533 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -5.138 -4.389 6.531 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -4.413 -4.228 4.202 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.724 -0.738 6.631 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.093 -2.962 2.560 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.408 0.524 4.987 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.586 -0.587 2.952 1.00 0.00 H new ATOM 1396 N SER A 115 -9.024 -4.151 7.301 1.00 0.00 N ATOM 1397 CA SER A 115 -9.824 -4.861 8.289 1.00 0.00 C ATOM 1398 C SER A 115 -9.826 -6.370 8.048 1.00 0.00 C ATOM 1399 O SER A 115 -9.794 -7.154 8.998 1.00 0.00 O ATOM 1400 CB SER A 115 -11.255 -4.324 8.290 1.00 0.00 C ATOM 1401 OG SER A 115 -11.271 -2.939 8.597 1.00 0.00 O ATOM 0 H SER A 115 -9.569 -3.620 6.621 1.00 0.00 H new ATOM 0 HA SER A 115 -9.371 -4.688 9.265 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.712 -4.491 7.314 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.853 -4.870 9.019 1.00 0.00 H new ATOM 0 HG SER A 115 -12.195 -2.613 8.591 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.855 -6.775 6.786 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.857 -8.191 6.444 1.00 0.00 C ATOM 1409 C ASN A 116 -9.036 -8.430 5.188 1.00 0.00 C ATOM 1410 O ASN A 116 -9.524 -8.273 4.068 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.287 -8.709 6.247 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.330 -10.206 5.993 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -10.453 -10.951 6.434 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -12.353 -10.665 5.293 1.00 0.00 N ATOM 0 H ASN A 116 -9.877 -6.145 5.984 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.408 -8.739 7.272 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.880 -8.476 7.131 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.747 -8.187 5.408 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -12.434 -11.664 5.103 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -13.062 -10.020 4.943 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.779 -8.786 5.380 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.888 -9.042 4.267 1.00 0.00 C ATOM 1423 C CYS A 117 -6.599 -10.534 4.167 1.00 0.00 C ATOM 1424 O CYS A 117 -6.803 -11.277 5.128 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.583 -8.257 4.441 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.804 -6.519 4.967 1.00 0.00 S ATOM 0 H CYS A 117 -7.353 -8.904 6.299 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.369 -8.714 3.346 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.962 -8.769 5.176 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.038 -8.271 3.497 1.00 0.00 H new ATOM 1431 N SER A 118 -6.151 -10.976 3.007 1.00 0.00 N ATOM 1432 CA SER A 118 -5.840 -12.378 2.790 1.00 0.00 C ATOM 1433 C SER A 118 -4.635 -12.516 1.860 1.00 0.00 C ATOM 1434 O SER A 118 -4.149 -11.522 1.311 1.00 0.00 O ATOM 1435 CB SER A 118 -7.063 -13.095 2.204 1.00 0.00 C ATOM 1436 OG SER A 118 -8.199 -12.939 3.045 1.00 0.00 O ATOM 0 H SER A 118 -5.993 -10.380 2.194 1.00 0.00 H new ATOM 0 HA SER A 118 -5.587 -12.840 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.282 -12.696 1.214 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.842 -14.155 2.079 1.00 0.00 H new ATOM 0 HG SER A 118 -8.984 -12.727 2.498 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.144 -13.735 1.702 1.00 0.00 N ATOM 1443 CA HIS A 119 -3.017 -13.996 0.818 1.00 0.00 C ATOM 1444 C HIS A 119 -3.428 -13.740 -0.630 1.00 0.00 C ATOM 1445 O HIS A 119 -4.545 -14.066 -1.030 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.532 -15.437 0.998 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.350 -15.801 0.152 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.282 -16.412 -1.054 1.00 0.00 N flip ATOM 1449 CD2 HIS A 119 -0.048 -15.541 0.521 1.00 0.00 C flip ATOM 1450 CE1 HIS A 119 0.047 -16.511 -1.384 1.00 0.00 C flip ATOM 1451 NE2 HIS A 119 0.769 -15.979 -0.417 1.00 0.00 N flip ATOM 0 H HIS A 119 -4.509 -14.562 2.175 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.196 -13.325 1.071 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.276 -15.593 2.046 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -3.353 -16.116 0.766 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -2.071 -16.738 -1.613 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.256 -15.054 1.436 1.00 0.00 H new ATOM 0 HE1 HIS A 119 0.438 -16.953 -2.289 1.00 0.00 H new ATOM 1459 N SER A 120 -2.523 -13.145 -1.398 1.00 0.00 N ATOM 1460 CA SER A 120 -2.801 -12.775 -2.780 1.00 0.00 C ATOM 1461 C SER A 120 -3.042 -14.010 -3.651 1.00 0.00 C ATOM 1462 O SER A 120 -2.102 -14.686 -4.080 1.00 0.00 O ATOM 1463 CB SER A 120 -1.645 -11.938 -3.338 1.00 0.00 C ATOM 1464 OG SER A 120 -1.878 -11.563 -4.683 1.00 0.00 O ATOM 0 H SER A 120 -1.582 -12.907 -1.083 1.00 0.00 H new ATOM 0 HA SER A 120 -3.713 -12.179 -2.797 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.514 -11.045 -2.728 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.718 -12.507 -3.273 1.00 0.00 H new ATOM 0 HG SER A 120 -2.803 -11.255 -4.781 1.00 0.00 H new ATOM 1470 N ARG A 121 -4.315 -14.304 -3.885 1.00 0.00 N ATOM 1471 CA ARG A 121 -4.713 -15.383 -4.775 1.00 0.00 C ATOM 1472 C ARG A 121 -5.012 -14.838 -6.165 1.00 0.00 C ATOM 1473 O ARG A 121 -5.662 -15.494 -6.978 1.00 0.00 O ATOM 1474 CB ARG A 121 -5.953 -16.092 -4.229 1.00 0.00 C ATOM 1475 CG ARG A 121 -5.680 -16.984 -3.032 1.00 0.00 C ATOM 1476 CD ARG A 121 -4.872 -18.206 -3.425 1.00 0.00 C ATOM 1477 NE ARG A 121 -5.553 -19.009 -4.439 1.00 0.00 N ATOM 1478 CZ ARG A 121 -5.519 -20.333 -4.478 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -4.879 -21.007 -3.532 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -6.128 -20.988 -5.451 1.00 0.00 N ATOM 0 H ARG A 121 -5.097 -13.802 -3.464 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.891 -16.096 -4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -6.693 -15.342 -3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -6.394 -16.694 -5.024 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -5.142 -16.419 -2.271 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -6.624 -17.298 -2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.900 -17.891 -3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -4.687 -18.818 -2.542 1.00 0.00 H new ATOM 0 HE ARG A 121 -6.086 -18.521 -5.159 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.413 -20.506 -2.775 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.852 -22.026 -3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -6.627 -20.474 -6.177 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -6.099 -22.007 -5.476 1.00 0.00 H new ATOM 1493 N ASN A 122 -4.537 -13.634 -6.428 1.00 0.00 N ATOM 1494 CA ASN A 122 -4.788 -12.975 -7.697 1.00 0.00 C ATOM 1495 C ASN A 122 -3.537 -13.025 -8.570 1.00 0.00 C ATOM 1496 O ASN A 122 -2.471 -12.550 -8.184 1.00 0.00 O ATOM 1497 CB ASN A 122 -5.260 -11.531 -7.465 1.00 0.00 C ATOM 1498 CG ASN A 122 -4.325 -10.731 -6.577 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -4.391 -10.810 -5.349 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -3.472 -9.931 -7.188 1.00 0.00 N ATOM 0 H ASN A 122 -3.972 -13.090 -5.776 1.00 0.00 H new ATOM 0 HA ASN A 122 -5.584 -13.501 -8.223 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -5.355 -11.028 -8.427 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -6.252 -11.548 -7.014 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -2.837 -9.350 -6.641 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -3.448 -9.894 -8.207 1.00 0.00 H new ATOM 1507 N ASP A 123 -3.681 -13.639 -9.739 1.00 0.00 N ATOM 1508 CA ASP A 123 -2.571 -13.840 -10.666 1.00 0.00 C ATOM 1509 C ASP A 123 -2.044 -12.518 -11.208 1.00 0.00 C ATOM 1510 O ASP A 123 -0.855 -12.387 -11.502 1.00 0.00 O ATOM 1511 CB ASP A 123 -3.004 -14.748 -11.821 1.00 0.00 C ATOM 1512 CG ASP A 123 -4.288 -14.287 -12.481 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -5.378 -14.594 -11.947 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -4.219 -13.627 -13.535 1.00 0.00 O ATOM 0 H ASP A 123 -4.570 -14.012 -10.072 1.00 0.00 H new ATOM 0 HA ASP A 123 -1.762 -14.319 -10.115 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -2.210 -14.783 -12.567 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.137 -15.764 -11.448 1.00 0.00 H new ATOM 1519 N MET A 124 -2.920 -11.540 -11.338 1.00 0.00 N ATOM 1520 CA MET A 124 -2.512 -10.217 -11.775 1.00 0.00 C ATOM 1521 C MET A 124 -2.217 -9.343 -10.565 1.00 0.00 C ATOM 1522 O MET A 124 -2.899 -8.348 -10.316 1.00 0.00 O ATOM 1523 CB MET A 124 -3.589 -9.563 -12.646 1.00 0.00 C ATOM 1524 CG MET A 124 -3.868 -10.300 -13.944 1.00 0.00 C ATOM 1525 SD MET A 124 -4.996 -9.393 -15.024 1.00 0.00 S ATOM 1526 CE MET A 124 -4.057 -7.895 -15.322 1.00 0.00 C ATOM 0 H MET A 124 -3.918 -11.636 -11.148 1.00 0.00 H new ATOM 0 HA MET A 124 -1.610 -10.320 -12.378 1.00 0.00 H new ATOM 0 HB2 MET A 124 -4.514 -9.496 -12.073 1.00 0.00 H new ATOM 0 HB3 MET A 124 -3.283 -8.543 -12.878 1.00 0.00 H new ATOM 0 HG2 MET A 124 -2.929 -10.474 -14.469 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.293 -11.278 -13.719 1.00 0.00 H new ATOM 0 HE1 MET A 124 -4.370 -7.451 -16.267 1.00 0.00 H new ATOM 0 HE2 MET A 124 -4.234 -7.187 -14.512 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.995 -8.135 -15.368 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.207 -9.727 -9.798 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.846 -8.980 -8.605 1.00 0.00 C ATOM 1538 C CYS A 125 0.136 -7.870 -8.940 1.00 0.00 C ATOM 1539 O CYS A 125 1.338 -8.099 -9.085 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.258 -9.894 -7.525 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.018 -9.061 -5.917 1.00 0.00 S ATOM 0 H CYS A 125 -0.627 -10.546 -9.980 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.760 -8.536 -8.211 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.918 -10.751 -7.387 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.700 -10.282 -7.871 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.394 -6.669 -9.090 1.00 0.00 N ATOM 1547 CA HIS A 126 0.429 -5.490 -9.276 1.00 0.00 C ATOM 1548 C HIS A 126 0.790 -4.937 -7.906 1.00 0.00 C ATOM 1549 O HIS A 126 -0.077 -4.831 -7.037 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.318 -4.418 -10.084 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.744 -4.843 -11.458 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -0.319 -4.209 -12.607 1.00 0.00 N ATOM 1553 CD2 HIS A 126 -1.589 -5.822 -11.862 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -0.881 -4.780 -13.656 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -1.654 -5.762 -13.233 1.00 0.00 N ATOM 0 H HIS A 126 -1.397 -6.485 -9.086 1.00 0.00 H new ATOM 0 HA HIS A 126 1.327 -5.763 -9.830 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.202 -4.112 -9.524 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.322 -3.540 -10.173 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -2.113 -6.519 -11.225 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -0.733 -4.492 -14.686 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -2.210 -6.377 -13.827 1.00 0.00 H new ATOM 1563 N SER A 127 2.052 -4.611 -7.695 1.00 0.00 N ATOM 1564 CA SER A 127 2.470 -4.073 -6.412 1.00 0.00 C ATOM 1565 C SER A 127 1.888 -2.676 -6.213 1.00 0.00 C ATOM 1566 O SER A 127 1.989 -1.816 -7.096 1.00 0.00 O ATOM 1567 CB SER A 127 3.994 -4.021 -6.321 1.00 0.00 C ATOM 1568 OG SER A 127 4.579 -5.270 -6.658 1.00 0.00 O ATOM 0 H SER A 127 2.797 -4.707 -8.385 1.00 0.00 H new ATOM 0 HA SER A 127 2.097 -4.730 -5.626 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.373 -3.248 -6.990 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.290 -3.741 -5.310 1.00 0.00 H new ATOM 0 HG SER A 127 4.905 -5.709 -5.844 1.00 0.00 H new ATOM 1574 N LEU A 128 1.264 -2.455 -5.063 1.00 0.00 N ATOM 1575 CA LEU A 128 0.697 -1.156 -4.761 1.00 0.00 C ATOM 1576 C LEU A 128 1.825 -0.200 -4.400 1.00 0.00 C ATOM 1577 O LEU A 128 2.473 -0.348 -3.363 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.329 -1.259 -3.624 1.00 0.00 C ATOM 1579 CG LEU A 128 -1.348 -0.115 -3.547 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.505 -0.500 -2.643 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.699 1.164 -3.042 1.00 0.00 C ATOM 0 H LEU A 128 1.140 -3.155 -4.332 1.00 0.00 H new ATOM 0 HA LEU A 128 0.170 -0.775 -5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.871 -2.198 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.208 -1.308 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.725 0.067 -4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.220 0.321 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.997 -1.388 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.130 -0.710 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -1.445 1.958 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.289 0.995 -2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.103 1.457 -3.720 1.00 0.00 H new ATOM 1593 N GLY A 129 2.065 0.759 -5.271 1.00 0.00 N ATOM 1594 CA GLY A 129 3.151 1.683 -5.075 1.00 0.00 C ATOM 1595 C GLY A 129 2.666 3.065 -4.734 1.00 0.00 C ATOM 1596 O GLY A 129 1.750 3.591 -5.373 1.00 0.00 O ATOM 0 H GLY A 129 1.520 0.915 -6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.796 1.319 -4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.758 1.725 -5.980 1.00 0.00 H new ATOM 1600 N LEU A 130 3.266 3.645 -3.715 1.00 0.00 N ATOM 1601 CA LEU A 130 2.959 5.004 -3.321 1.00 0.00 C ATOM 1602 C LEU A 130 4.159 5.894 -3.611 1.00 0.00 C ATOM 1603 O LEU A 130 5.299 5.525 -3.324 1.00 0.00 O ATOM 1604 CB LEU A 130 2.597 5.064 -1.834 1.00 0.00 C ATOM 1605 CG LEU A 130 2.339 6.468 -1.275 1.00 0.00 C ATOM 1606 CD1 LEU A 130 1.181 7.144 -1.994 1.00 0.00 C ATOM 1607 CD2 LEU A 130 2.061 6.398 0.217 1.00 0.00 C ATOM 0 H LEU A 130 3.976 3.191 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 130 2.100 5.358 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.707 4.457 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.405 4.607 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 130 3.235 7.066 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 130 1.023 8.138 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.413 7.231 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.277 6.549 -1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.880 7.402 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.183 5.777 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.921 5.964 0.727 1.00 0.00 H new ATOM 1619 N THR A 131 3.910 7.039 -4.216 1.00 0.00 N ATOM 1620 CA THR A 131 4.963 7.985 -4.518 1.00 0.00 C ATOM 1621 C THR A 131 4.663 9.329 -3.871 1.00 0.00 C ATOM 1622 O THR A 131 3.767 10.046 -4.313 1.00 0.00 O ATOM 1623 CB THR A 131 5.104 8.168 -6.039 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.285 6.887 -6.657 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.276 9.077 -6.389 1.00 0.00 C ATOM 0 H THR A 131 2.980 7.337 -4.509 1.00 0.00 H new ATOM 0 HA THR A 131 5.899 7.593 -4.119 1.00 0.00 H new ATOM 0 HB THR A 131 4.194 8.639 -6.410 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.838 6.986 -7.460 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.344 9.183 -7.472 1.00 0.00 H new ATOM 0 HG22 THR A 131 6.123 10.057 -5.938 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.200 8.642 -6.008 1.00 0.00 H new ATOM 1633 N CYS A 132 5.385 9.652 -2.812 1.00 0.00 N ATOM 1634 CA CYS A 132 5.243 10.947 -2.167 1.00 0.00 C ATOM 1635 C CYS A 132 6.311 11.892 -2.714 1.00 0.00 C ATOM 1636 O CYS A 132 7.314 11.435 -3.265 1.00 0.00 O ATOM 1637 CB CYS A 132 5.372 10.797 -0.646 1.00 0.00 C ATOM 1638 SG CYS A 132 4.363 9.447 0.062 1.00 0.00 S ATOM 0 H CYS A 132 6.075 9.037 -2.381 1.00 0.00 H new ATOM 0 HA CYS A 132 4.257 11.361 -2.379 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.419 10.622 -0.397 1.00 0.00 H new ATOM 0 HB3 CYS A 132 5.085 11.736 -0.174 1.00 0.00 H new ATOM 1643 N LEU A 133 6.090 13.199 -2.586 1.00 0.00 N ATOM 1644 CA LEU A 133 7.004 14.198 -3.155 1.00 0.00 C ATOM 1645 C LEU A 133 8.281 14.364 -2.326 1.00 0.00 C ATOM 1646 O LEU A 133 8.703 15.491 -2.052 1.00 0.00 O ATOM 1647 CB LEU A 133 6.301 15.552 -3.290 1.00 0.00 C ATOM 1648 CG LEU A 133 5.151 15.602 -4.299 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.541 16.993 -4.338 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.633 15.208 -5.686 1.00 0.00 C ATOM 0 H LEU A 133 5.288 13.594 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 133 7.294 13.832 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.915 15.840 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 133 7.042 16.299 -3.573 1.00 0.00 H new ATOM 0 HG LEU A 133 4.390 14.890 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.725 17.012 -5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.158 17.250 -3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.302 17.716 -4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 133 4.799 15.251 -6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.414 15.896 -6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.032 14.194 -5.658 1.00 0.00 H new ATOM 1662 N GLU A 134 8.885 13.237 -1.957 1.00 0.00 N ATOM 1663 CA GLU A 134 10.139 13.206 -1.200 1.00 0.00 C ATOM 1664 C GLU A 134 10.068 14.139 0.014 1.00 0.00 C ATOM 1665 O GLU A 134 10.890 15.080 0.106 1.00 0.00 O ATOM 1666 CB GLU A 134 11.307 13.587 -2.118 1.00 0.00 C ATOM 1667 CG GLU A 134 12.665 13.074 -1.656 1.00 0.00 C ATOM 1668 CD GLU A 134 12.786 11.564 -1.744 1.00 0.00 C ATOM 1669 OE1 GLU A 134 12.825 11.028 -2.874 1.00 0.00 O ATOM 1670 OE2 GLU A 134 12.864 10.911 -0.683 1.00 0.00 O ATOM 1671 OXT GLU A 134 9.163 13.950 0.853 1.00 0.00 O ATOM 0 H GLU A 134 8.517 12.311 -2.175 1.00 0.00 H new ATOM 0 HA GLU A 134 10.301 12.194 -0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.108 13.201 -3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.351 14.673 -2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 134 13.446 13.532 -2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 134 12.835 13.388 -0.626 1.00 0.00 H new