USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 744 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 86 MET CE :methyl -157:sc= -1.52 (180deg=-1.56) USER MOD Set 1.2: A 89 ASN : amide:sc= -0.362 K(o=-1.9,f=-2.4) USER MOD Set 2.1: A 50 SER OG : rot -37:sc= 0.0647 USER MOD Set 2.2: A 53 HIS : no HD1:sc= -1.8 K(o=-1.7,f=-3.1) USER MOD Set 3.1: A 1 MET N :NH3+ 146:sc= 0.0725 (180deg=0) USER MOD Set 3.2: A 40 TYR OH : rot -60:sc= 0.0597 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 47:sc= -1.54 USER MOD Single : A 13 THR OG1 : rot 92:sc= 1.29 USER MOD Single : A 14 MET CE :methyl 171:sc=-0.00246 (180deg=-0.0921) USER MOD Single : A 18 GLN : amide:sc= -0.136 K(o=-0.14,f=-2.8!) USER MOD Single : A 19 SER OG : rot 52:sc= -1.86! USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 22 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.121) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= 0.165 (180deg=0.143) USER MOD Single : A 25 THR OG1 : rot 24:sc= 1.09 USER MOD Single : A 27 SER OG : rot 140:sc= -1.64 USER MOD Single : A 30 CYS SG : rot -10:sc= 0.754 USER MOD Single : A 34 SER OG : rot -84:sc= 1.3 USER MOD Single : A 35 ASN : amide:sc= -0.383 K(o=-0.38,f=-2!) USER MOD Single : A 39 TYR OH : rot 30:sc= -1.19 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -3.44! C(o=-3.4!,f=-9.4!) USER MOD Single : A 49 ASN : amide:sc= -0.419 K(o=-0.42,f=-4.2!) USER MOD Single : A 54 ASN : amide:sc= -3.04 K(o=-3,f=-2.4!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.59! C(o=-2.6!,f=-2.4!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0.575 K(o=0.57,f=-13!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.302 K(o=0.3,f=-0.59) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 75:sc= 1.14 USER MOD Single : A 91 SER OG : rot 64:sc= 0.618 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.345 0.000 0.000 1.00 1.00 N ATOM 2 CA MET A 1 2.115 0.000 -1.232 1.00 1.00 C ATOM 3 C MET A 1 2.014 -1.377 -1.891 1.00 1.00 C ATOM 4 O MET A 1 2.715 -2.297 -1.444 1.00 1.00 O ATOM 5 CB MET A 1 3.582 0.322 -0.943 1.00 1.00 C ATOM 6 CG MET A 1 3.857 1.819 -1.100 1.00 1.00 C ATOM 7 SD MET A 1 3.630 2.663 0.493 1.00 1.00 S ATOM 8 CE MET A 1 5.246 2.338 1.255 1.00 1.00 C ATOM 0 H1 MET A 1 1.812 0.610 0.701 1.00 1.00 H new ATOM 0 H2 MET A 1 0.388 0.360 -0.189 1.00 1.00 H new ATOM 0 H3 MET A 1 1.284 -0.970 0.371 1.00 1.00 H new ATOM 0 HA MET A 1 1.714 0.761 -1.901 1.00 1.00 H new ATOM 0 HB2 MET A 1 3.834 0.007 0.069 1.00 1.00 H new ATOM 0 HB3 MET A 1 4.222 -0.242 -1.621 1.00 1.00 H new ATOM 0 HG2 MET A 1 4.873 1.974 -1.462 1.00 1.00 H new ATOM 0 HG3 MET A 1 3.185 2.244 -1.845 1.00 1.00 H new ATOM 0 HE1 MET A 1 5.278 2.790 2.246 1.00 1.00 H new ATOM 0 HE2 MET A 1 5.398 1.262 1.342 1.00 1.00 H new ATOM 0 HE3 MET A 1 6.033 2.767 0.635 1.00 1.00 H new ATOM 18 N VAL A 2 1.160 -1.490 -2.924 1.00 1.00 N ATOM 19 CA VAL A 2 0.972 -2.743 -3.635 1.00 1.00 C ATOM 20 C VAL A 2 1.709 -2.680 -4.974 1.00 1.00 C ATOM 21 O VAL A 2 2.130 -3.737 -5.466 1.00 1.00 O ATOM 22 CB VAL A 2 -0.521 -3.039 -3.787 1.00 1.00 C ATOM 23 CG1 VAL A 2 -1.215 -3.077 -2.424 1.00 1.00 C ATOM 24 CG2 VAL A 2 -1.190 -2.022 -4.715 1.00 1.00 C ATOM 0 H VAL A 2 0.593 -0.719 -3.277 1.00 1.00 H new ATOM 0 HA VAL A 2 1.398 -3.571 -3.069 1.00 1.00 H new ATOM 0 HB VAL A 2 -0.622 -4.025 -4.241 1.00 1.00 H new ATOM 0 HG11 VAL A 2 -2.275 -3.289 -2.561 1.00 1.00 H new ATOM 0 HG12 VAL A 2 -0.766 -3.856 -1.809 1.00 1.00 H new ATOM 0 HG13 VAL A 2 -1.099 -2.112 -1.930 1.00 1.00 H new ATOM 0 HG21 VAL A 2 -2.251 -2.255 -4.806 1.00 1.00 H new ATOM 0 HG22 VAL A 2 -1.073 -1.020 -4.302 1.00 1.00 H new ATOM 0 HG23 VAL A 2 -0.723 -2.065 -5.699 1.00 1.00 H new ATOM 34 N LYS A 3 1.848 -1.462 -5.528 1.00 1.00 N ATOM 35 CA LYS A 3 2.528 -1.267 -6.797 1.00 1.00 C ATOM 36 C LYS A 3 2.468 0.213 -7.180 1.00 1.00 C ATOM 37 O LYS A 3 3.532 0.809 -7.401 1.00 1.00 O ATOM 38 CB LYS A 3 1.952 -2.201 -7.863 1.00 1.00 C ATOM 39 CG LYS A 3 2.308 -1.715 -9.269 1.00 1.00 C ATOM 40 CD LYS A 3 2.333 -2.880 -10.261 1.00 1.00 C ATOM 41 CE LYS A 3 3.731 -3.494 -10.351 1.00 1.00 C ATOM 42 NZ LYS A 3 3.666 -4.838 -10.948 1.00 1.00 N ATOM 0 H LYS A 3 1.493 -0.604 -5.106 1.00 1.00 H new ATOM 0 HA LYS A 3 3.582 -1.532 -6.709 1.00 1.00 H new ATOM 0 HB2 LYS A 3 2.338 -3.210 -7.715 1.00 1.00 H new ATOM 0 HB3 LYS A 3 0.869 -2.255 -7.757 1.00 1.00 H new ATOM 0 HG2 LYS A 3 1.582 -0.970 -9.595 1.00 1.00 H new ATOM 0 HG3 LYS A 3 3.282 -1.225 -9.253 1.00 1.00 H new ATOM 0 HD2 LYS A 3 1.617 -3.641 -9.951 1.00 1.00 H new ATOM 0 HD3 LYS A 3 2.021 -2.531 -11.245 1.00 1.00 H new ATOM 0 HE2 LYS A 3 4.378 -2.854 -10.951 1.00 1.00 H new ATOM 0 HE3 LYS A 3 4.174 -3.552 -9.357 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 4.623 -5.241 -11.002 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 3.065 -5.450 -10.360 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 3.263 -4.774 -11.905 1.00 1.00 H new ATOM 56 N PRO A 4 1.245 0.768 -7.250 1.00 1.00 N ATOM 57 CA PRO A 4 1.014 2.160 -7.600 1.00 1.00 C ATOM 58 C PRO A 4 1.372 3.084 -6.434 1.00 1.00 C ATOM 59 O PRO A 4 1.409 2.605 -5.291 1.00 1.00 O ATOM 60 CB PRO A 4 -0.455 2.230 -7.983 1.00 1.00 C ATOM 61 CG PRO A 4 -1.101 0.987 -7.393 1.00 1.00 C ATOM 62 CD PRO A 4 0.011 0.035 -6.983 1.00 1.00 C ATOM 0 HA PRO A 4 1.643 2.497 -8.423 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -0.918 3.135 -7.589 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -0.575 2.256 -9.066 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -1.717 1.248 -6.532 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -1.758 0.515 -8.123 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.068 -0.236 -5.930 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.030 -0.892 -7.555 1.00 1.00 H new ATOM 70 N PRO A 5 1.626 4.369 -6.741 1.00 1.00 N ATOM 71 CA PRO A 5 1.980 5.374 -5.754 1.00 1.00 C ATOM 72 C PRO A 5 0.755 5.803 -4.944 1.00 1.00 C ATOM 73 O PRO A 5 0.428 6.999 -4.958 1.00 1.00 O ATOM 74 CB PRO A 5 2.592 6.513 -6.554 1.00 1.00 C ATOM 75 CG PRO A 5 2.136 6.306 -7.989 1.00 1.00 C ATOM 76 CD PRO A 5 1.574 4.898 -8.101 1.00 1.00 C ATOM 0 HA PRO A 5 2.686 5.003 -5.011 1.00 1.00 H new ATOM 0 HB2 PRO A 5 2.260 7.479 -6.174 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.680 6.499 -6.484 1.00 1.00 H new ATOM 0 HG2 PRO A 5 1.379 7.042 -8.259 1.00 1.00 H new ATOM 0 HG3 PRO A 5 2.970 6.440 -8.678 1.00 1.00 H new ATOM 0 HD2 PRO A 5 0.553 4.908 -8.483 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.165 4.289 -8.786 1.00 1.00 H new ATOM 84 N TYR A 6 0.112 4.836 -4.266 1.00 1.00 N ATOM 85 CA TYR A 6 -1.062 5.177 -3.481 1.00 1.00 C ATOM 86 C TYR A 6 -0.623 5.661 -2.098 1.00 1.00 C ATOM 87 O TYR A 6 0.530 5.394 -1.727 1.00 1.00 O ATOM 88 CB TYR A 6 -2.009 3.967 -3.391 1.00 1.00 C ATOM 89 CG TYR A 6 -3.050 3.896 -4.500 1.00 1.00 C ATOM 90 CD1 TYR A 6 -2.695 4.194 -5.836 1.00 1.00 C ATOM 91 CD2 TYR A 6 -4.384 3.536 -4.196 1.00 1.00 C ATOM 92 CE1 TYR A 6 -3.664 4.129 -6.859 1.00 1.00 C ATOM 93 CE2 TYR A 6 -5.353 3.472 -5.220 1.00 1.00 C ATOM 94 CZ TYR A 6 -4.994 3.768 -6.552 1.00 1.00 C ATOM 95 OH TYR A 6 -5.935 3.704 -7.540 1.00 1.00 O ATOM 0 H TYR A 6 0.380 3.852 -4.251 1.00 1.00 H new ATOM 0 HA TYR A 6 -1.612 5.984 -3.965 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -1.414 3.054 -3.409 1.00 1.00 H new ATOM 0 HB3 TYR A 6 -2.522 3.994 -2.430 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -1.679 4.472 -6.074 1.00 1.00 H new ATOM 0 HD2 TYR A 6 -4.662 3.309 -3.177 1.00 1.00 H new ATOM 0 HE1 TYR A 6 -3.388 4.356 -7.878 1.00 1.00 H new ATOM 0 HE2 TYR A 6 -6.370 3.196 -4.984 1.00 1.00 H new ATOM 0 HH TYR A 6 -6.796 3.439 -7.155 1.00 1.00 H new ATOM 105 N SER A 7 -1.523 6.354 -1.379 1.00 1.00 N ATOM 106 CA SER A 7 -1.218 6.873 -0.056 1.00 1.00 C ATOM 107 C SER A 7 -2.354 6.512 0.903 1.00 1.00 C ATOM 108 O SER A 7 -3.438 6.148 0.423 1.00 1.00 O ATOM 109 CB SER A 7 -1.007 8.388 -0.084 1.00 1.00 C ATOM 110 OG SER A 7 0.223 8.767 0.529 1.00 1.00 O ATOM 0 H SER A 7 -2.468 6.562 -1.703 1.00 1.00 H new ATOM 0 HA SER A 7 -0.288 6.420 0.288 1.00 1.00 H new ATOM 0 HB2 SER A 7 -1.020 8.737 -1.117 1.00 1.00 H new ATOM 0 HB3 SER A 7 -1.834 8.879 0.429 1.00 1.00 H new ATOM 0 HG SER A 7 0.322 9.741 0.490 1.00 1.00 H new ATOM 116 N TYR A 8 -2.089 6.619 2.217 1.00 1.00 N ATOM 117 CA TYR A 8 -3.125 6.286 3.180 1.00 1.00 C ATOM 118 C TYR A 8 -4.085 7.470 3.319 1.00 1.00 C ATOM 119 O TYR A 8 -5.284 7.280 3.070 1.00 1.00 O ATOM 120 CB TYR A 8 -2.490 5.901 4.529 1.00 1.00 C ATOM 121 CG TYR A 8 -2.486 4.407 4.821 1.00 1.00 C ATOM 122 CD1 TYR A 8 -3.698 3.680 4.808 1.00 1.00 C ATOM 123 CD2 TYR A 8 -1.273 3.736 5.100 1.00 1.00 C ATOM 124 CE1 TYR A 8 -3.699 2.295 5.075 1.00 1.00 C ATOM 125 CE2 TYR A 8 -1.273 2.351 5.367 1.00 1.00 C ATOM 126 CZ TYR A 8 -2.487 1.628 5.356 1.00 1.00 C ATOM 127 OH TYR A 8 -2.492 0.287 5.615 1.00 1.00 O ATOM 0 H TYR A 8 -1.200 6.922 2.614 1.00 1.00 H new ATOM 0 HA TYR A 8 -3.695 5.425 2.832 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -1.463 6.265 4.550 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -3.026 6.413 5.328 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -4.627 4.187 4.593 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -0.343 4.286 5.109 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -4.628 1.744 5.064 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -0.344 1.843 5.580 1.00 1.00 H new ATOM 0 HH TYR A 8 -3.042 -0.173 4.947 1.00 1.00 H new ATOM 137 N ILE A 9 -3.555 8.642 3.714 1.00 1.00 N ATOM 138 CA ILE A 9 -4.368 9.833 3.891 1.00 1.00 C ATOM 139 C ILE A 9 -5.315 9.981 2.699 1.00 1.00 C ATOM 140 O ILE A 9 -6.472 10.375 2.910 1.00 1.00 O ATOM 141 CB ILE A 9 -3.480 11.057 4.126 1.00 1.00 C ATOM 142 CG1 ILE A 9 -2.838 11.527 2.819 1.00 1.00 C ATOM 143 CG2 ILE A 9 -2.437 10.778 5.210 1.00 1.00 C ATOM 144 CD1 ILE A 9 -1.679 10.611 2.417 1.00 1.00 C ATOM 0 H ILE A 9 -2.564 8.778 3.914 1.00 1.00 H new ATOM 0 HA ILE A 9 -4.989 9.741 4.782 1.00 1.00 H new ATOM 0 HB ILE A 9 -4.108 11.871 4.487 1.00 1.00 H new ATOM 0 HG12 ILE A 9 -3.586 11.542 2.027 1.00 1.00 H new ATOM 0 HG13 ILE A 9 -2.476 12.549 2.934 1.00 1.00 H new ATOM 0 HG21 ILE A 9 -1.819 11.664 5.357 1.00 1.00 H new ATOM 0 HG22 ILE A 9 -2.941 10.528 6.144 1.00 1.00 H new ATOM 0 HG23 ILE A 9 -1.807 9.943 4.902 1.00 1.00 H new ATOM 0 HD11 ILE A 9 -1.240 10.967 1.485 1.00 1.00 H new ATOM 0 HD12 ILE A 9 -0.921 10.618 3.201 1.00 1.00 H new ATOM 0 HD13 ILE A 9 -2.049 9.595 2.279 1.00 1.00 H new ATOM 156 N ALA A 10 -4.816 9.666 1.490 1.00 1.00 N ATOM 157 CA ALA A 10 -5.613 9.763 0.279 1.00 1.00 C ATOM 158 C ALA A 10 -6.739 8.728 0.330 1.00 1.00 C ATOM 159 O ALA A 10 -7.849 9.041 -0.125 1.00 1.00 O ATOM 160 CB ALA A 10 -4.753 9.401 -0.933 1.00 1.00 C ATOM 0 H ALA A 10 -3.861 9.342 1.338 1.00 1.00 H new ATOM 0 HA ALA A 10 -6.002 10.778 0.202 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -5.353 9.475 -1.840 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -3.910 10.088 -0.999 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -4.382 8.382 -0.825 1.00 1.00 H new ATOM 166 N LEU A 11 -6.437 7.536 0.875 1.00 1.00 N ATOM 167 CA LEU A 11 -7.416 6.469 0.984 1.00 1.00 C ATOM 168 C LEU A 11 -8.411 6.806 2.096 1.00 1.00 C ATOM 169 O LEU A 11 -9.622 6.676 1.864 1.00 1.00 O ATOM 170 CB LEU A 11 -6.720 5.119 1.170 1.00 1.00 C ATOM 171 CG LEU A 11 -6.626 4.235 -0.075 1.00 1.00 C ATOM 172 CD1 LEU A 11 -7.985 3.618 -0.412 1.00 1.00 C ATOM 173 CD2 LEU A 11 -6.039 5.010 -1.256 1.00 1.00 C ATOM 0 H LEU A 11 -5.516 7.299 1.244 1.00 1.00 H new ATOM 0 HA LEU A 11 -7.988 6.382 0.060 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -5.711 5.301 1.539 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -7.248 4.564 1.946 1.00 1.00 H new ATOM 0 HG LEU A 11 -5.943 3.413 0.140 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -7.891 2.994 -1.301 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -8.325 3.008 0.425 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -8.708 4.411 -0.600 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -5.983 4.358 -2.128 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -6.676 5.865 -1.483 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -5.039 5.360 -1.000 1.00 1.00 H new ATOM 185 N ILE A 12 -7.890 7.226 3.263 1.00 1.00 N ATOM 186 CA ILE A 12 -8.727 7.577 4.397 1.00 1.00 C ATOM 187 C ILE A 12 -9.646 8.736 4.008 1.00 1.00 C ATOM 188 O ILE A 12 -10.825 8.709 4.391 1.00 1.00 O ATOM 189 CB ILE A 12 -7.866 7.862 5.630 1.00 1.00 C ATOM 190 CG1 ILE A 12 -7.468 6.563 6.333 1.00 1.00 C ATOM 191 CG2 ILE A 12 -8.571 8.834 6.578 1.00 1.00 C ATOM 192 CD1 ILE A 12 -6.548 5.720 5.447 1.00 1.00 C ATOM 0 H ILE A 12 -6.889 7.327 3.434 1.00 1.00 H new ATOM 0 HA ILE A 12 -9.369 6.739 4.671 1.00 1.00 H new ATOM 0 HB ILE A 12 -6.946 8.344 5.300 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -6.964 6.793 7.272 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -8.362 5.992 6.583 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -7.938 9.020 7.446 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -8.761 9.774 6.060 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -9.517 8.402 6.905 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -6.280 4.802 5.970 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -7.064 5.471 4.519 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -5.644 6.285 5.219 1.00 1.00 H new ATOM 204 N THR A 13 -9.099 9.716 3.266 1.00 1.00 N ATOM 205 CA THR A 13 -9.865 10.872 2.831 1.00 1.00 C ATOM 206 C THR A 13 -11.250 10.415 2.368 1.00 1.00 C ATOM 207 O THR A 13 -12.239 11.065 2.738 1.00 1.00 O ATOM 208 CB THR A 13 -9.072 11.603 1.746 1.00 1.00 C ATOM 209 OG1 THR A 13 -8.132 12.389 2.473 1.00 1.00 O ATOM 210 CG2 THR A 13 -9.918 12.634 0.997 1.00 1.00 C ATOM 0 H THR A 13 -8.126 9.720 2.960 1.00 1.00 H new ATOM 0 HA THR A 13 -10.026 11.577 3.646 1.00 1.00 H new ATOM 0 HB THR A 13 -8.672 10.877 1.038 1.00 1.00 H new ATOM 0 HG1 THR A 13 -7.303 11.881 2.591 1.00 1.00 H new ATOM 0 HG21 THR A 13 -9.307 13.124 0.238 1.00 1.00 H new ATOM 0 HG22 THR A 13 -10.760 12.135 0.518 1.00 1.00 H new ATOM 0 HG23 THR A 13 -10.290 13.379 1.700 1.00 1.00 H new ATOM 218 N MET A 14 -11.293 9.325 1.582 1.00 1.00 N ATOM 219 CA MET A 14 -12.545 8.790 1.076 1.00 1.00 C ATOM 220 C MET A 14 -13.195 7.918 2.152 1.00 1.00 C ATOM 221 O MET A 14 -14.432 7.842 2.182 1.00 1.00 O ATOM 222 CB MET A 14 -12.297 7.951 -0.180 1.00 1.00 C ATOM 223 CG MET A 14 -13.597 7.724 -0.953 1.00 1.00 C ATOM 224 SD MET A 14 -13.233 7.431 -2.709 1.00 1.00 S ATOM 225 CE MET A 14 -13.680 5.675 -2.836 1.00 1.00 C ATOM 0 H MET A 14 -10.466 8.804 1.289 1.00 1.00 H new ATOM 0 HA MET A 14 -13.207 9.618 0.821 1.00 1.00 H new ATOM 0 HB2 MET A 14 -11.572 8.454 -0.820 1.00 1.00 H new ATOM 0 HB3 MET A 14 -11.863 6.991 0.099 1.00 1.00 H new ATOM 0 HG2 MET A 14 -14.133 6.871 -0.537 1.00 1.00 H new ATOM 0 HG3 MET A 14 -14.248 8.592 -0.848 1.00 1.00 H new ATOM 0 HE1 MET A 14 -13.670 5.372 -3.883 1.00 1.00 H new ATOM 0 HE2 MET A 14 -12.961 5.075 -2.277 1.00 1.00 H new ATOM 0 HE3 MET A 14 -14.678 5.523 -2.424 1.00 1.00 H new ATOM 235 N ALA A 15 -12.363 7.289 3.001 1.00 1.00 N ATOM 236 CA ALA A 15 -12.853 6.432 4.067 1.00 1.00 C ATOM 237 C ALA A 15 -13.738 7.252 5.008 1.00 1.00 C ATOM 238 O ALA A 15 -14.760 6.722 5.467 1.00 1.00 O ATOM 239 CB ALA A 15 -11.677 5.935 4.910 1.00 1.00 C ATOM 0 H ALA A 15 -11.347 7.366 2.960 1.00 1.00 H new ATOM 0 HA ALA A 15 -13.400 5.602 3.619 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -12.048 5.293 5.709 1.00 1.00 H new ATOM 0 HB2 ALA A 15 -10.990 5.370 4.279 1.00 1.00 H new ATOM 0 HB3 ALA A 15 -11.154 6.788 5.343 1.00 1.00 H new ATOM 245 N ILE A 16 -13.336 8.508 5.271 1.00 1.00 N ATOM 246 CA ILE A 16 -14.087 9.390 6.148 1.00 1.00 C ATOM 247 C ILE A 16 -15.283 9.962 5.385 1.00 1.00 C ATOM 248 O ILE A 16 -16.388 9.980 5.948 1.00 1.00 O ATOM 249 CB ILE A 16 -13.170 10.458 6.747 1.00 1.00 C ATOM 250 CG1 ILE A 16 -13.583 10.794 8.182 1.00 1.00 C ATOM 251 CG2 ILE A 16 -13.125 11.703 5.858 1.00 1.00 C ATOM 252 CD1 ILE A 16 -14.842 11.664 8.201 1.00 1.00 C ATOM 0 H ILE A 16 -12.491 8.926 4.882 1.00 1.00 H new ATOM 0 HA ILE A 16 -14.486 8.835 6.997 1.00 1.00 H new ATOM 0 HB ILE A 16 -12.158 10.055 6.789 1.00 1.00 H new ATOM 0 HG12 ILE A 16 -13.764 9.874 8.737 1.00 1.00 H new ATOM 0 HG13 ILE A 16 -12.769 11.315 8.686 1.00 1.00 H new ATOM 0 HG21 ILE A 16 -12.466 12.447 6.306 1.00 1.00 H new ATOM 0 HG22 ILE A 16 -12.748 11.432 4.872 1.00 1.00 H new ATOM 0 HG23 ILE A 16 -14.128 12.118 5.762 1.00 1.00 H new ATOM 0 HD11 ILE A 16 -15.114 11.888 9.232 1.00 1.00 H new ATOM 0 HD12 ILE A 16 -14.650 12.594 7.666 1.00 1.00 H new ATOM 0 HD13 ILE A 16 -15.660 11.130 7.718 1.00 1.00 H new ATOM 264 N LEU A 17 -15.045 10.412 4.141 1.00 1.00 N ATOM 265 CA LEU A 17 -16.095 10.979 3.312 1.00 1.00 C ATOM 266 C LEU A 17 -17.311 10.050 3.331 1.00 1.00 C ATOM 267 O LEU A 17 -18.438 10.552 3.205 1.00 1.00 O ATOM 268 CB LEU A 17 -15.568 11.274 1.906 1.00 1.00 C ATOM 269 CG LEU A 17 -16.627 11.466 0.819 1.00 1.00 C ATOM 270 CD1 LEU A 17 -16.579 12.887 0.252 1.00 1.00 C ATOM 271 CD2 LEU A 17 -16.488 10.407 -0.276 1.00 1.00 C ATOM 0 H LEU A 17 -14.127 10.389 3.696 1.00 1.00 H new ATOM 0 HA LEU A 17 -16.420 11.939 3.713 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -14.955 12.174 1.951 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -14.913 10.456 1.606 1.00 1.00 H new ATOM 0 HG LEU A 17 -17.609 11.333 1.272 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -17.342 12.997 -0.519 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -16.765 13.604 1.051 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -15.596 13.073 -0.181 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -17.253 10.567 -1.036 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -15.501 10.483 -0.733 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -16.611 9.415 0.159 1.00 1.00 H new ATOM 283 N GLN A 18 -17.063 8.737 3.484 1.00 1.00 N ATOM 284 CA GLN A 18 -18.130 7.752 3.519 1.00 1.00 C ATOM 285 C GLN A 18 -19.246 8.246 4.441 1.00 1.00 C ATOM 286 O GLN A 18 -20.408 7.883 4.208 1.00 1.00 O ATOM 287 CB GLN A 18 -17.615 6.382 3.967 1.00 1.00 C ATOM 288 CG GLN A 18 -17.021 5.608 2.789 1.00 1.00 C ATOM 289 CD GLN A 18 -17.656 4.220 2.668 1.00 1.00 C ATOM 290 OE1 GLN A 18 -17.590 3.399 3.569 1.00 1.00 O ATOM 291 NE2 GLN A 18 -18.271 4.006 1.509 1.00 1.00 N ATOM 0 H GLN A 18 -16.127 8.345 3.585 1.00 1.00 H new ATOM 0 HA GLN A 18 -18.525 7.629 2.511 1.00 1.00 H new ATOM 0 HB2 GLN A 18 -16.859 6.509 4.742 1.00 1.00 H new ATOM 0 HB3 GLN A 18 -18.431 5.810 4.409 1.00 1.00 H new ATOM 0 HG2 GLN A 18 -17.179 6.166 1.866 1.00 1.00 H new ATOM 0 HG3 GLN A 18 -15.944 5.509 2.921 1.00 1.00 H new ATOM 0 HE21 GLN A 18 -18.288 4.737 0.798 1.00 1.00 H new ATOM 0 HE22 GLN A 18 -18.726 3.111 1.331 1.00 1.00 H new ATOM 300 N SER A 19 -18.878 9.052 5.453 1.00 1.00 N ATOM 301 CA SER A 19 -19.841 9.590 6.399 1.00 1.00 C ATOM 302 C SER A 19 -19.907 11.111 6.245 1.00 1.00 C ATOM 303 O SER A 19 -19.174 11.808 6.961 1.00 1.00 O ATOM 304 CB SER A 19 -19.481 9.217 7.839 1.00 1.00 C ATOM 305 OG SER A 19 -18.261 9.824 8.257 1.00 1.00 O ATOM 0 H SER A 19 -17.915 9.339 5.627 1.00 1.00 H new ATOM 0 HA SER A 19 -20.817 9.156 6.183 1.00 1.00 H new ATOM 0 HB2 SER A 19 -20.286 9.525 8.506 1.00 1.00 H new ATOM 0 HB3 SER A 19 -19.395 8.134 7.922 1.00 1.00 H new ATOM 0 HG SER A 19 -18.297 10.787 8.079 1.00 1.00 H new ATOM 311 N PRO A 20 -20.770 11.586 5.330 1.00 1.00 N ATOM 312 CA PRO A 20 -20.954 13.002 5.060 1.00 1.00 C ATOM 313 C PRO A 20 -21.759 13.672 6.175 1.00 1.00 C ATOM 314 O PRO A 20 -22.008 14.883 6.077 1.00 1.00 O ATOM 315 CB PRO A 20 -21.649 13.059 3.710 1.00 1.00 C ATOM 316 CG PRO A 20 -22.244 11.677 3.489 1.00 1.00 C ATOM 317 CD PRO A 20 -21.619 10.733 4.503 1.00 1.00 C ATOM 0 HA PRO A 20 -20.012 13.550 5.031 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -22.425 13.824 3.702 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -20.944 13.312 2.918 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -23.327 11.704 3.609 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -22.045 11.333 2.474 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -22.381 10.234 5.101 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -21.038 9.953 4.012 1.00 1.00 H new ATOM 325 N GLN A 21 -22.143 12.886 7.197 1.00 1.00 N ATOM 326 CA GLN A 21 -22.912 13.401 8.317 1.00 1.00 C ATOM 327 C GLN A 21 -22.018 13.462 9.558 1.00 1.00 C ATOM 328 O GLN A 21 -21.413 14.517 9.797 1.00 1.00 O ATOM 329 CB GLN A 21 -24.158 12.553 8.580 1.00 1.00 C ATOM 330 CG GLN A 21 -24.035 11.178 7.921 1.00 1.00 C ATOM 331 CD GLN A 21 -25.241 10.298 8.257 1.00 1.00 C ATOM 332 OE1 GLN A 21 -25.380 9.784 9.355 1.00 1.00 O ATOM 333 NE2 GLN A 21 -26.102 10.155 7.255 1.00 1.00 N ATOM 0 H GLN A 21 -21.927 11.891 7.259 1.00 1.00 H new ATOM 0 HA GLN A 21 -23.258 14.405 8.072 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -24.301 12.434 9.654 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -25.039 13.067 8.196 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -23.956 11.295 6.840 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -23.120 10.690 8.257 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -25.925 10.613 6.361 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -26.940 9.587 7.380 1.00 1.00 H new ATOM 342 N LYS A 22 -21.954 12.348 10.309 1.00 1.00 N ATOM 343 CA LYS A 22 -21.142 12.277 11.512 1.00 1.00 C ATOM 344 C LYS A 22 -21.239 10.870 12.105 1.00 1.00 C ATOM 345 O LYS A 22 -21.302 10.752 13.337 1.00 1.00 O ATOM 346 CB LYS A 22 -21.536 13.385 12.491 1.00 1.00 C ATOM 347 CG LYS A 22 -22.974 13.199 12.980 1.00 1.00 C ATOM 348 CD LYS A 22 -23.278 14.129 14.157 1.00 1.00 C ATOM 349 CE LYS A 22 -22.742 13.549 15.467 1.00 1.00 C ATOM 350 NZ LYS A 22 -21.562 14.303 15.920 1.00 1.00 N ATOM 0 H LYS A 22 -22.460 11.489 10.094 1.00 1.00 H new ATOM 0 HA LYS A 22 -20.093 12.452 11.274 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -20.855 13.382 13.342 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -21.436 14.356 12.006 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -23.668 13.400 12.164 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -23.128 12.163 13.281 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -22.830 15.106 13.978 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -24.354 14.281 14.236 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -23.518 13.583 16.231 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -22.479 12.501 15.327 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -20.955 13.685 16.495 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -21.028 14.641 15.094 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -21.868 15.116 16.491 1.00 1.00 H new ATOM 364 N LYS A 23 -21.250 9.847 11.231 1.00 1.00 N ATOM 365 CA LYS A 23 -21.338 8.464 11.665 1.00 1.00 C ATOM 366 C LYS A 23 -20.410 7.603 10.806 1.00 1.00 C ATOM 367 O LYS A 23 -20.693 7.445 9.609 1.00 1.00 O ATOM 368 CB LYS A 23 -22.794 7.992 11.659 1.00 1.00 C ATOM 369 CG LYS A 23 -22.877 6.471 11.517 1.00 1.00 C ATOM 370 CD LYS A 23 -24.135 5.925 12.196 1.00 1.00 C ATOM 371 CE LYS A 23 -24.764 4.805 11.364 1.00 1.00 C ATOM 372 NZ LYS A 23 -25.631 3.964 12.205 1.00 1.00 N ATOM 0 H LYS A 23 -21.198 9.966 10.219 1.00 1.00 H new ATOM 0 HA LYS A 23 -20.999 8.367 12.696 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -23.284 8.302 12.582 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -23.331 8.467 10.838 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -22.883 6.200 10.461 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -21.993 6.012 11.959 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -23.883 5.549 13.188 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -24.857 6.730 12.334 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -25.344 5.233 10.547 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -23.981 4.195 10.914 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -25.942 3.133 11.662 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -25.103 3.651 13.044 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -26.462 4.513 12.504 1.00 1.00 H new ATOM 386 N LEU A 24 -19.338 7.074 11.422 1.00 1.00 N ATOM 387 CA LEU A 24 -18.379 6.239 10.718 1.00 1.00 C ATOM 388 C LEU A 24 -18.285 4.880 11.415 1.00 1.00 C ATOM 389 O LEU A 24 -18.257 4.853 12.654 1.00 1.00 O ATOM 390 CB LEU A 24 -17.035 6.958 10.588 1.00 1.00 C ATOM 391 CG LEU A 24 -16.704 7.516 9.202 1.00 1.00 C ATOM 392 CD1 LEU A 24 -16.008 8.874 9.310 1.00 1.00 C ATOM 393 CD2 LEU A 24 -15.881 6.514 8.391 1.00 1.00 C ATOM 0 H LEU A 24 -19.123 7.217 12.409 1.00 1.00 H new ATOM 0 HA LEU A 24 -18.713 6.052 9.698 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -17.015 7.780 11.303 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -16.245 6.265 10.877 1.00 1.00 H new ATOM 0 HG LEU A 24 -17.639 7.675 8.665 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -15.784 9.248 8.311 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -16.663 9.579 9.823 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -15.081 8.764 9.873 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -15.659 6.935 7.410 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -14.949 6.301 8.914 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -16.448 5.591 8.270 1.00 1.00 H new ATOM 405 N THR A 25 -18.239 3.797 10.619 1.00 1.00 N ATOM 406 CA THR A 25 -18.149 2.450 11.156 1.00 1.00 C ATOM 407 C THR A 25 -16.916 1.755 10.573 1.00 1.00 C ATOM 408 O THR A 25 -16.959 1.368 9.396 1.00 1.00 O ATOM 409 CB THR A 25 -19.458 1.716 10.858 1.00 1.00 C ATOM 410 OG1 THR A 25 -19.535 1.706 9.435 1.00 1.00 O ATOM 411 CG2 THR A 25 -20.688 2.515 11.292 1.00 1.00 C ATOM 0 H THR A 25 -18.263 3.841 9.600 1.00 1.00 H new ATOM 0 HA THR A 25 -18.021 2.458 12.238 1.00 1.00 H new ATOM 0 HB THR A 25 -19.455 0.750 11.363 1.00 1.00 H new ATOM 0 HG1 THR A 25 -18.635 1.794 9.058 1.00 1.00 H new ATOM 0 HG21 THR A 25 -21.590 1.950 11.058 1.00 1.00 H new ATOM 0 HG22 THR A 25 -20.643 2.698 12.366 1.00 1.00 H new ATOM 0 HG23 THR A 25 -20.709 3.467 10.762 1.00 1.00 H new ATOM 419 N LEU A 26 -15.861 1.612 11.394 1.00 1.00 N ATOM 420 CA LEU A 26 -14.631 0.970 10.963 1.00 1.00 C ATOM 421 C LEU A 26 -14.968 -0.343 10.252 1.00 1.00 C ATOM 422 O LEU A 26 -14.318 -0.650 9.241 1.00 1.00 O ATOM 423 CB LEU A 26 -13.672 0.800 12.143 1.00 1.00 C ATOM 424 CG LEU A 26 -12.228 0.440 11.788 1.00 1.00 C ATOM 425 CD1 LEU A 26 -12.096 -1.052 11.478 1.00 1.00 C ATOM 426 CD2 LEU A 26 -11.712 1.311 10.642 1.00 1.00 C ATOM 0 H LEU A 26 -15.847 1.937 12.361 1.00 1.00 H new ATOM 0 HA LEU A 26 -14.106 1.598 10.243 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -13.664 1.728 12.715 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -14.068 0.024 12.799 1.00 1.00 H new ATOM 0 HG LEU A 26 -11.601 0.646 12.656 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -11.060 -1.282 11.229 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -12.397 -1.633 12.350 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -12.737 -1.306 10.634 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -10.684 1.035 10.410 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -12.336 1.161 9.761 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -11.748 2.360 10.937 1.00 1.00 H new ATOM 438 N SER A 27 -15.961 -1.078 10.783 1.00 1.00 N ATOM 439 CA SER A 27 -16.378 -2.343 10.204 1.00 1.00 C ATOM 440 C SER A 27 -16.903 -2.102 8.787 1.00 1.00 C ATOM 441 O SER A 27 -16.600 -2.912 7.899 1.00 1.00 O ATOM 442 CB SER A 27 -17.448 -3.025 11.058 1.00 1.00 C ATOM 443 OG SER A 27 -18.550 -2.161 11.323 1.00 1.00 O ATOM 0 H SER A 27 -16.484 -0.806 11.615 1.00 1.00 H new ATOM 0 HA SER A 27 -15.515 -3.008 10.169 1.00 1.00 H new ATOM 0 HB2 SER A 27 -17.804 -3.920 10.547 1.00 1.00 H new ATOM 0 HB3 SER A 27 -17.007 -3.350 12.000 1.00 1.00 H new ATOM 0 HG SER A 27 -19.386 -2.669 11.263 1.00 1.00 H new ATOM 449 N GLY A 28 -17.668 -1.010 8.607 1.00 1.00 N ATOM 450 CA GLY A 28 -18.229 -0.668 7.310 1.00 1.00 C ATOM 451 C GLY A 28 -17.158 0.021 6.463 1.00 1.00 C ATOM 452 O GLY A 28 -17.299 0.035 5.231 1.00 1.00 O ATOM 0 H GLY A 28 -17.906 -0.355 9.352 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -18.585 -1.567 6.806 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -19.089 -0.010 7.435 1.00 1.00 H new ATOM 456 N ILE A 29 -16.125 0.571 7.127 1.00 1.00 N ATOM 457 CA ILE A 29 -15.043 1.254 6.438 1.00 1.00 C ATOM 458 C ILE A 29 -14.099 0.218 5.825 1.00 1.00 C ATOM 459 O ILE A 29 -13.813 0.319 4.624 1.00 1.00 O ATOM 460 CB ILE A 29 -14.347 2.239 7.380 1.00 1.00 C ATOM 461 CG1 ILE A 29 -15.179 3.512 7.554 1.00 1.00 C ATOM 462 CG2 ILE A 29 -12.927 2.544 6.901 1.00 1.00 C ATOM 463 CD1 ILE A 29 -15.308 4.268 6.231 1.00 1.00 C ATOM 0 H ILE A 29 -16.027 0.549 8.142 1.00 1.00 H new ATOM 0 HA ILE A 29 -15.433 1.855 5.616 1.00 1.00 H new ATOM 0 HB ILE A 29 -14.263 1.772 8.362 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -16.170 3.255 7.928 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -14.714 4.155 8.301 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -12.454 3.246 7.588 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -12.348 1.621 6.870 1.00 1.00 H new ATOM 0 HG23 ILE A 29 -12.966 2.982 5.904 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -15.904 5.168 6.383 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -14.317 4.545 5.872 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -15.796 3.630 5.494 1.00 1.00 H new ATOM 475 N CYS A 30 -13.643 -0.743 6.649 1.00 1.00 N ATOM 476 CA CYS A 30 -12.741 -1.785 6.191 1.00 1.00 C ATOM 477 C CYS A 30 -13.394 -2.547 5.035 1.00 1.00 C ATOM 478 O CYS A 30 -12.675 -2.932 4.102 1.00 1.00 O ATOM 479 CB CYS A 30 -12.347 -2.718 7.338 1.00 1.00 C ATOM 480 SG CYS A 30 -13.735 -3.587 8.125 1.00 1.00 S ATOM 0 H CYS A 30 -13.892 -0.809 7.636 1.00 1.00 H new ATOM 0 HA CYS A 30 -11.819 -1.330 5.829 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -11.641 -3.458 6.960 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -11.823 -2.137 8.097 1.00 1.00 H new ATOM 0 HG CYS A 30 -14.857 -3.086 7.701 1.00 1.00 H new ATOM 486 N GLU A 31 -14.721 -2.746 5.119 1.00 1.00 N ATOM 487 CA GLU A 31 -15.460 -3.454 4.087 1.00 1.00 C ATOM 488 C GLU A 31 -15.539 -2.582 2.832 1.00 1.00 C ATOM 489 O GLU A 31 -15.520 -3.139 1.725 1.00 1.00 O ATOM 490 CB GLU A 31 -16.858 -3.849 4.569 1.00 1.00 C ATOM 491 CG GLU A 31 -17.641 -4.555 3.459 1.00 1.00 C ATOM 492 CD GLU A 31 -18.976 -5.086 3.983 1.00 1.00 C ATOM 493 OE1 GLU A 31 -18.889 -6.117 4.754 1.00 1.00 O ATOM 494 OE2 GLU A 31 -20.035 -4.529 3.659 1.00 1.00 O ATOM 0 H GLU A 31 -15.295 -2.421 5.897 1.00 1.00 H new ATOM 0 HA GLU A 31 -14.932 -4.378 3.850 1.00 1.00 H new ATOM 0 HB2 GLU A 31 -16.776 -4.505 5.435 1.00 1.00 H new ATOM 0 HB3 GLU A 31 -17.400 -2.960 4.893 1.00 1.00 H new ATOM 0 HG2 GLU A 31 -17.819 -3.862 2.637 1.00 1.00 H new ATOM 0 HG3 GLU A 31 -17.050 -5.379 3.059 1.00 1.00 H new ATOM 501 N PHE A 32 -15.624 -1.254 3.026 1.00 1.00 N ATOM 502 CA PHE A 32 -15.704 -0.318 1.918 1.00 1.00 C ATOM 503 C PHE A 32 -14.426 -0.413 1.082 1.00 1.00 C ATOM 504 O PHE A 32 -14.532 -0.582 -0.141 1.00 1.00 O ATOM 505 CB PHE A 32 -15.892 1.109 2.470 1.00 1.00 C ATOM 506 CG PHE A 32 -14.917 2.138 1.915 1.00 1.00 C ATOM 507 CD1 PHE A 32 -14.988 2.519 0.555 1.00 1.00 C ATOM 508 CD2 PHE A 32 -13.940 2.724 2.754 1.00 1.00 C ATOM 509 CE1 PHE A 32 -14.088 3.476 0.038 1.00 1.00 C ATOM 510 CE2 PHE A 32 -13.041 3.681 2.236 1.00 1.00 C ATOM 511 CZ PHE A 32 -13.115 4.056 0.879 1.00 1.00 C ATOM 0 H PHE A 32 -15.638 -0.815 3.947 1.00 1.00 H new ATOM 0 HA PHE A 32 -16.555 -0.561 1.282 1.00 1.00 H new ATOM 0 HB2 PHE A 32 -16.908 1.437 2.253 1.00 1.00 H new ATOM 0 HB3 PHE A 32 -15.791 1.081 3.555 1.00 1.00 H new ATOM 0 HD1 PHE A 32 -15.733 2.077 -0.090 1.00 1.00 H new ATOM 0 HD2 PHE A 32 -13.882 2.438 3.794 1.00 1.00 H new ATOM 0 HE1 PHE A 32 -14.144 3.764 -1.001 1.00 1.00 H new ATOM 0 HE2 PHE A 32 -12.296 4.126 2.879 1.00 1.00 H new ATOM 0 HZ PHE A 32 -12.426 4.788 0.483 1.00 1.00 H new ATOM 521 N ILE A 33 -13.262 -0.304 1.747 1.00 1.00 N ATOM 522 CA ILE A 33 -11.978 -0.377 1.071 1.00 1.00 C ATOM 523 C ILE A 33 -11.847 -1.737 0.382 1.00 1.00 C ATOM 524 O ILE A 33 -11.160 -1.812 -0.648 1.00 1.00 O ATOM 525 CB ILE A 33 -10.840 -0.069 2.046 1.00 1.00 C ATOM 526 CG1 ILE A 33 -10.603 1.438 2.153 1.00 1.00 C ATOM 527 CG2 ILE A 33 -9.567 -0.824 1.658 1.00 1.00 C ATOM 528 CD1 ILE A 33 -10.368 1.854 3.607 1.00 1.00 C ATOM 0 H ILE A 33 -13.197 -0.165 2.755 1.00 1.00 H new ATOM 0 HA ILE A 33 -11.913 0.383 0.293 1.00 1.00 H new ATOM 0 HB ILE A 33 -11.133 -0.419 3.036 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -9.741 1.718 1.547 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -11.463 1.974 1.752 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -8.773 -0.588 2.367 1.00 1.00 H new ATOM 0 HG22 ILE A 33 -9.761 -1.897 1.675 1.00 1.00 H new ATOM 0 HG23 ILE A 33 -9.259 -0.526 0.656 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -10.202 2.930 3.655 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -11.241 1.594 4.205 1.00 1.00 H new ATOM 0 HD13 ILE A 33 -9.493 1.334 3.997 1.00 1.00 H new ATOM 540 N SER A 34 -12.496 -2.767 0.953 1.00 1.00 N ATOM 541 CA SER A 34 -12.452 -4.109 0.397 1.00 1.00 C ATOM 542 C SER A 34 -13.268 -4.148 -0.896 1.00 1.00 C ATOM 543 O SER A 34 -12.872 -4.870 -1.823 1.00 1.00 O ATOM 544 CB SER A 34 -12.982 -5.144 1.390 1.00 1.00 C ATOM 545 OG SER A 34 -14.366 -5.415 1.192 1.00 1.00 O ATOM 0 H SER A 34 -13.056 -2.684 1.802 1.00 1.00 H new ATOM 0 HA SER A 34 -11.413 -4.361 0.184 1.00 1.00 H new ATOM 0 HB2 SER A 34 -12.414 -6.068 1.288 1.00 1.00 H new ATOM 0 HB3 SER A 34 -12.825 -4.784 2.407 1.00 1.00 H new ATOM 0 HG SER A 34 -14.902 -4.743 1.663 1.00 1.00 H new ATOM 551 N ASN A 35 -14.374 -3.383 -0.934 1.00 1.00 N ATOM 552 CA ASN A 35 -15.235 -3.331 -2.103 1.00 1.00 C ATOM 553 C ASN A 35 -14.623 -2.389 -3.141 1.00 1.00 C ATOM 554 O ASN A 35 -14.663 -2.720 -4.335 1.00 1.00 O ATOM 555 CB ASN A 35 -16.623 -2.798 -1.742 1.00 1.00 C ATOM 556 CG ASN A 35 -17.708 -3.824 -2.075 1.00 1.00 C ATOM 557 OD1 ASN A 35 -17.511 -4.744 -2.851 1.00 1.00 O ATOM 558 ND2 ASN A 35 -18.861 -3.615 -1.446 1.00 1.00 N ATOM 0 H ASN A 35 -14.683 -2.795 -0.160 1.00 1.00 H new ATOM 0 HA ASN A 35 -15.328 -4.343 -2.497 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -16.659 -2.557 -0.680 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -16.814 -1.872 -2.285 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -19.648 -4.245 -1.601 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -18.958 -2.825 -0.809 1.00 1.00 H new ATOM 565 N ARG A 36 -14.077 -1.252 -2.674 1.00 1.00 N ATOM 566 CA ARG A 36 -13.463 -0.273 -3.555 1.00 1.00 C ATOM 567 C ARG A 36 -12.091 -0.785 -4.001 1.00 1.00 C ATOM 568 O ARG A 36 -11.836 -0.808 -5.214 1.00 1.00 O ATOM 569 CB ARG A 36 -13.294 1.081 -2.864 1.00 1.00 C ATOM 570 CG ARG A 36 -12.278 1.952 -3.605 1.00 1.00 C ATOM 571 CD ARG A 36 -12.660 2.108 -5.079 1.00 1.00 C ATOM 572 NE ARG A 36 -12.343 3.476 -5.543 1.00 1.00 N ATOM 573 CZ ARG A 36 -12.851 4.033 -6.662 1.00 1.00 C ATOM 574 NH1 ARG A 36 -13.700 3.320 -7.415 1.00 1.00 N ATOM 575 NH2 ARG A 36 -12.514 5.281 -7.015 1.00 1.00 N ATOM 0 H ARG A 36 -14.054 -0.998 -1.686 1.00 1.00 H new ATOM 0 HA ARG A 36 -14.118 -0.135 -4.415 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -14.255 1.594 -2.821 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -12.967 0.930 -1.835 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -12.223 2.934 -3.134 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -11.287 1.506 -3.528 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -12.121 1.377 -5.682 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -13.723 1.908 -5.210 1.00 1.00 H new ATOM 0 HE ARG A 36 -11.700 4.034 -4.981 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -13.953 2.371 -7.139 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -14.093 3.726 -8.264 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -11.868 5.818 -6.436 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -12.903 5.694 -7.863 1.00 1.00 H new ATOM 589 N PHE A 37 -11.250 -1.178 -3.028 1.00 1.00 N ATOM 590 CA PHE A 37 -9.919 -1.683 -3.319 1.00 1.00 C ATOM 591 C PHE A 37 -9.801 -3.121 -2.810 1.00 1.00 C ATOM 592 O PHE A 37 -9.235 -3.317 -1.724 1.00 1.00 O ATOM 593 CB PHE A 37 -8.872 -0.776 -2.643 1.00 1.00 C ATOM 594 CG PHE A 37 -9.288 0.683 -2.510 1.00 1.00 C ATOM 595 CD1 PHE A 37 -10.058 1.108 -1.402 1.00 1.00 C ATOM 596 CD2 PHE A 37 -8.911 1.621 -3.498 1.00 1.00 C ATOM 597 CE1 PHE A 37 -10.446 2.460 -1.284 1.00 1.00 C ATOM 598 CE2 PHE A 37 -9.299 2.973 -3.379 1.00 1.00 C ATOM 599 CZ PHE A 37 -10.066 3.392 -2.272 1.00 1.00 C ATOM 0 H PHE A 37 -11.480 -1.151 -2.035 1.00 1.00 H new ATOM 0 HA PHE A 37 -9.742 -1.679 -4.395 1.00 1.00 H new ATOM 0 HB2 PHE A 37 -8.656 -1.170 -1.650 1.00 1.00 H new ATOM 0 HB3 PHE A 37 -7.945 -0.825 -3.214 1.00 1.00 H new ATOM 0 HD1 PHE A 37 -10.350 0.396 -0.644 1.00 1.00 H new ATOM 0 HD2 PHE A 37 -8.324 1.302 -4.347 1.00 1.00 H new ATOM 0 HE1 PHE A 37 -11.034 2.781 -0.437 1.00 1.00 H new ATOM 0 HE2 PHE A 37 -9.008 3.687 -4.136 1.00 1.00 H new ATOM 0 HZ PHE A 37 -10.362 4.427 -2.181 1.00 1.00 H new ATOM 609 N PRO A 38 -10.329 -4.081 -3.589 1.00 1.00 N ATOM 610 CA PRO A 38 -10.302 -5.494 -3.251 1.00 1.00 C ATOM 611 C PRO A 38 -8.905 -6.081 -3.464 1.00 1.00 C ATOM 612 O PRO A 38 -8.516 -6.970 -2.692 1.00 1.00 O ATOM 613 CB PRO A 38 -11.356 -6.132 -4.140 1.00 1.00 C ATOM 614 CG PRO A 38 -11.607 -5.141 -5.266 1.00 1.00 C ATOM 615 CD PRO A 38 -10.990 -3.812 -4.863 1.00 1.00 C ATOM 0 HA PRO A 38 -10.522 -5.679 -2.200 1.00 1.00 H new ATOM 0 HB2 PRO A 38 -11.010 -7.089 -4.531 1.00 1.00 H new ATOM 0 HB3 PRO A 38 -12.271 -6.329 -3.581 1.00 1.00 H new ATOM 0 HG2 PRO A 38 -11.166 -5.500 -6.196 1.00 1.00 H new ATOM 0 HG3 PRO A 38 -12.676 -5.027 -5.443 1.00 1.00 H new ATOM 0 HD2 PRO A 38 -10.279 -3.462 -5.612 1.00 1.00 H new ATOM 0 HD3 PRO A 38 -11.750 -3.038 -4.759 1.00 1.00 H new ATOM 623 N TYR A 39 -8.192 -5.582 -4.489 1.00 1.00 N ATOM 624 CA TYR A 39 -6.859 -6.101 -4.747 1.00 1.00 C ATOM 625 C TYR A 39 -5.881 -5.513 -3.728 1.00 1.00 C ATOM 626 O TYR A 39 -4.778 -6.062 -3.597 1.00 1.00 O ATOM 627 CB TYR A 39 -6.439 -5.784 -6.194 1.00 1.00 C ATOM 628 CG TYR A 39 -5.521 -4.578 -6.334 1.00 1.00 C ATOM 629 CD1 TYR A 39 -6.062 -3.281 -6.496 1.00 1.00 C ATOM 630 CD2 TYR A 39 -4.117 -4.751 -6.311 1.00 1.00 C ATOM 631 CE1 TYR A 39 -5.206 -2.167 -6.629 1.00 1.00 C ATOM 632 CE2 TYR A 39 -3.262 -3.636 -6.444 1.00 1.00 C ATOM 633 CZ TYR A 39 -3.805 -2.343 -6.602 1.00 1.00 C ATOM 634 OH TYR A 39 -2.974 -1.267 -6.729 1.00 1.00 O ATOM 0 H TYR A 39 -8.509 -4.849 -5.124 1.00 1.00 H new ATOM 0 HA TYR A 39 -6.853 -7.185 -4.637 1.00 1.00 H new ATOM 0 HB2 TYR A 39 -5.938 -6.657 -6.613 1.00 1.00 H new ATOM 0 HB3 TYR A 39 -7.335 -5.614 -6.790 1.00 1.00 H new ATOM 0 HD1 TYR A 39 -7.133 -3.143 -6.518 1.00 1.00 H new ATOM 0 HD2 TYR A 39 -3.698 -5.739 -6.191 1.00 1.00 H new ATOM 0 HE1 TYR A 39 -5.623 -1.178 -6.752 1.00 1.00 H new ATOM 0 HE2 TYR A 39 -2.191 -3.772 -6.425 1.00 1.00 H new ATOM 0 HH TYR A 39 -3.412 -0.470 -6.363 1.00 1.00 H new ATOM 644 N TYR A 40 -6.289 -4.428 -3.046 1.00 1.00 N ATOM 645 CA TYR A 40 -5.395 -3.820 -2.076 1.00 1.00 C ATOM 646 C TYR A 40 -5.364 -4.678 -0.810 1.00 1.00 C ATOM 647 O TYR A 40 -4.258 -5.015 -0.361 1.00 1.00 O ATOM 648 CB TYR A 40 -5.839 -2.376 -1.779 1.00 1.00 C ATOM 649 CG TYR A 40 -4.695 -1.395 -1.561 1.00 1.00 C ATOM 650 CD1 TYR A 40 -3.610 -1.749 -0.726 1.00 1.00 C ATOM 651 CD2 TYR A 40 -4.705 -0.132 -2.196 1.00 1.00 C ATOM 652 CE1 TYR A 40 -2.546 -0.845 -0.524 1.00 1.00 C ATOM 653 CE2 TYR A 40 -3.640 0.772 -1.994 1.00 1.00 C ATOM 654 CZ TYR A 40 -2.560 0.417 -1.157 1.00 1.00 C ATOM 655 OH TYR A 40 -1.528 1.289 -0.957 1.00 1.00 O ATOM 0 H TYR A 40 -7.198 -3.977 -3.149 1.00 1.00 H new ATOM 0 HA TYR A 40 -4.384 -3.772 -2.480 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -6.453 -2.021 -2.607 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -6.472 -2.379 -0.892 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -3.596 -2.714 -0.242 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -5.530 0.142 -2.837 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -1.720 -1.119 0.116 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -3.651 1.736 -2.480 1.00 1.00 H new ATOM 0 HH TYR A 40 -1.457 1.498 -0.002 1.00 1.00 H new ATOM 665 N ARG A 41 -6.549 -5.003 -0.263 1.00 1.00 N ATOM 666 CA ARG A 41 -6.646 -5.805 0.945 1.00 1.00 C ATOM 667 C ARG A 41 -6.402 -7.275 0.597 1.00 1.00 C ATOM 668 O ARG A 41 -5.794 -7.981 1.414 1.00 1.00 O ATOM 669 CB ARG A 41 -8.019 -5.666 1.605 1.00 1.00 C ATOM 670 CG ARG A 41 -9.126 -6.181 0.682 1.00 1.00 C ATOM 671 CD ARG A 41 -9.433 -7.653 0.963 1.00 1.00 C ATOM 672 NE ARG A 41 -10.183 -7.780 2.233 1.00 1.00 N ATOM 673 CZ ARG A 41 -10.407 -8.952 2.865 1.00 1.00 C ATOM 674 NH1 ARG A 41 -9.929 -10.082 2.328 1.00 1.00 N ATOM 675 NH2 ARG A 41 -11.096 -8.984 4.014 1.00 1.00 N ATOM 0 H ARG A 41 -7.449 -4.716 -0.648 1.00 1.00 H new ATOM 0 HA ARG A 41 -5.893 -5.449 1.648 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -8.034 -6.222 2.542 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -8.204 -4.621 1.852 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -10.028 -5.585 0.822 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -8.822 -6.061 -0.358 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -10.015 -8.075 0.144 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -8.505 -8.222 1.021 1.00 1.00 H new ATOM 0 HE ARG A 41 -10.554 -6.929 2.657 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -9.404 -10.049 1.454 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -10.090 -10.975 2.793 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -11.456 -8.119 4.417 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -11.261 -9.873 4.485 1.00 1.00 H new ATOM 689 N GLU A 42 -6.871 -7.699 -0.590 1.00 1.00 N ATOM 690 CA GLU A 42 -6.704 -9.071 -1.039 1.00 1.00 C ATOM 691 C GLU A 42 -5.213 -9.408 -1.091 1.00 1.00 C ATOM 692 O GLU A 42 -4.877 -10.601 -1.061 1.00 1.00 O ATOM 693 CB GLU A 42 -7.366 -9.302 -2.398 1.00 1.00 C ATOM 694 CG GLU A 42 -7.150 -10.739 -2.877 1.00 1.00 C ATOM 695 CD GLU A 42 -8.483 -11.416 -3.201 1.00 1.00 C ATOM 696 OE1 GLU A 42 -9.378 -10.641 -3.712 1.00 1.00 O ATOM 697 OE2 GLU A 42 -8.638 -12.624 -2.967 1.00 1.00 O ATOM 0 H GLU A 42 -7.369 -7.100 -1.249 1.00 1.00 H new ATOM 0 HA GLU A 42 -7.198 -9.734 -0.329 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -8.434 -9.096 -2.326 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -6.956 -8.606 -3.129 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -6.514 -10.739 -3.762 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -6.627 -11.308 -2.108 1.00 1.00 H new ATOM 704 N LYS A 43 -4.363 -8.369 -1.166 1.00 1.00 N ATOM 705 CA LYS A 43 -2.923 -8.554 -1.221 1.00 1.00 C ATOM 706 C LYS A 43 -2.309 -8.155 0.122 1.00 1.00 C ATOM 707 O LYS A 43 -1.264 -8.716 0.483 1.00 1.00 O ATOM 708 CB LYS A 43 -2.331 -7.802 -2.415 1.00 1.00 C ATOM 709 CG LYS A 43 -0.808 -7.944 -2.453 1.00 1.00 C ATOM 710 CD LYS A 43 -0.392 -9.177 -3.257 1.00 1.00 C ATOM 711 CE LYS A 43 1.124 -9.375 -3.211 1.00 1.00 C ATOM 712 NZ LYS A 43 1.594 -10.047 -4.434 1.00 1.00 N ATOM 0 H LYS A 43 -4.661 -7.394 -1.189 1.00 1.00 H new ATOM 0 HA LYS A 43 -2.681 -9.604 -1.383 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -2.759 -8.188 -3.340 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -2.600 -6.747 -2.355 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -0.367 -7.051 -2.896 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -0.421 -8.020 -1.437 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -0.890 -10.061 -2.858 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -0.717 -9.068 -4.292 1.00 1.00 H new ATOM 0 HE2 LYS A 43 1.620 -8.410 -3.106 1.00 1.00 H new ATOM 0 HE3 LYS A 43 1.393 -9.968 -2.337 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 2.625 -10.174 -4.386 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 1.135 -10.976 -4.518 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 1.355 -9.466 -5.263 1.00 1.00 H new ATOM 726 N PHE A 44 -2.959 -7.209 0.824 1.00 1.00 N ATOM 727 CA PHE A 44 -2.480 -6.742 2.114 1.00 1.00 C ATOM 728 C PHE A 44 -3.653 -6.673 3.093 1.00 1.00 C ATOM 729 O PHE A 44 -4.055 -5.557 3.454 1.00 1.00 O ATOM 730 CB PHE A 44 -1.829 -5.356 1.942 1.00 1.00 C ATOM 731 CG PHE A 44 -0.661 -5.082 2.880 1.00 1.00 C ATOM 732 CD1 PHE A 44 -0.587 -5.729 4.136 1.00 1.00 C ATOM 733 CD2 PHE A 44 0.353 -4.173 2.502 1.00 1.00 C ATOM 734 CE1 PHE A 44 0.495 -5.470 5.005 1.00 1.00 C ATOM 735 CE2 PHE A 44 1.434 -3.914 3.372 1.00 1.00 C ATOM 736 CZ PHE A 44 1.505 -4.563 4.623 1.00 1.00 C ATOM 0 H PHE A 44 -3.818 -6.759 0.509 1.00 1.00 H new ATOM 0 HA PHE A 44 -1.735 -7.431 2.511 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -1.482 -5.257 0.913 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -2.589 -4.591 2.097 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -1.360 -6.423 4.431 1.00 1.00 H new ATOM 0 HD2 PHE A 44 0.301 -3.675 1.545 1.00 1.00 H new ATOM 0 HE1 PHE A 44 0.549 -5.967 5.963 1.00 1.00 H new ATOM 0 HE2 PHE A 44 2.207 -3.219 3.080 1.00 1.00 H new ATOM 0 HZ PHE A 44 2.333 -4.365 5.288 1.00 1.00 H new ATOM 746 N PRO A 45 -4.171 -7.847 3.497 1.00 1.00 N ATOM 747 CA PRO A 45 -5.285 -7.956 4.424 1.00 1.00 C ATOM 748 C PRO A 45 -4.838 -7.654 5.856 1.00 1.00 C ATOM 749 O PRO A 45 -5.707 -7.535 6.732 1.00 1.00 O ATOM 750 CB PRO A 45 -5.803 -9.375 4.251 1.00 1.00 C ATOM 751 CG PRO A 45 -4.680 -10.150 3.580 1.00 1.00 C ATOM 752 CD PRO A 45 -3.671 -9.144 3.050 1.00 1.00 C ATOM 0 HA PRO A 45 -6.073 -7.231 4.222 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -6.061 -9.816 5.214 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -6.706 -9.389 3.641 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -4.206 -10.828 4.290 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -5.071 -10.762 2.768 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -2.673 -9.340 3.442 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -3.601 -9.188 1.963 1.00 1.00 H new ATOM 760 N ALA A 46 -3.514 -7.537 6.062 1.00 1.00 N ATOM 761 CA ALA A 46 -2.962 -7.252 7.375 1.00 1.00 C ATOM 762 C ALA A 46 -3.018 -5.744 7.630 1.00 1.00 C ATOM 763 O ALA A 46 -3.048 -5.345 8.804 1.00 1.00 O ATOM 764 CB ALA A 46 -1.481 -7.637 7.406 1.00 1.00 C ATOM 0 H ALA A 46 -2.815 -7.638 5.326 1.00 1.00 H new ATOM 0 HA ALA A 46 -3.533 -7.809 8.118 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -1.070 -7.422 8.392 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -1.377 -8.701 7.194 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -0.940 -7.062 6.654 1.00 1.00 H new ATOM 770 N TRP A 47 -3.032 -4.950 6.545 1.00 1.00 N ATOM 771 CA TRP A 47 -3.084 -3.501 6.652 1.00 1.00 C ATOM 772 C TRP A 47 -4.494 -3.076 7.067 1.00 1.00 C ATOM 773 O TRP A 47 -4.691 -1.885 7.349 1.00 1.00 O ATOM 774 CB TRP A 47 -2.626 -2.857 5.342 1.00 1.00 C ATOM 775 CG TRP A 47 -3.749 -2.651 4.324 1.00 1.00 C ATOM 776 CD1 TRP A 47 -4.860 -3.383 4.161 1.00 1.00 C ATOM 777 CD2 TRP A 47 -3.827 -1.610 3.328 1.00 1.00 C ATOM 778 NE1 TRP A 47 -5.644 -2.892 3.137 1.00 1.00 N ATOM 779 CE2 TRP A 47 -4.996 -1.779 2.614 1.00 1.00 C ATOM 780 CE3 TRP A 47 -2.938 -0.559 3.039 1.00 1.00 C ATOM 781 CZ2 TRP A 47 -5.383 -0.936 1.566 1.00 1.00 C ATOM 782 CZ3 TRP A 47 -3.340 0.275 1.989 1.00 1.00 C ATOM 783 CH2 TRP A 47 -4.514 0.118 1.261 1.00 1.00 C ATOM 0 H TRP A 47 -3.008 -5.299 5.587 1.00 1.00 H new ATOM 0 HA TRP A 47 -2.397 -3.152 7.423 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -2.169 -1.893 5.564 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -1.853 -3.481 4.893 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -5.110 -4.249 4.756 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -6.535 -3.275 2.822 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -2.018 -0.407 3.584 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -6.303 -1.090 1.022 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -2.693 1.098 1.726 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -4.754 0.806 0.464 1.00 1.00 H new ATOM 794 N GLN A 48 -5.431 -4.041 7.095 1.00 1.00 N ATOM 795 CA GLN A 48 -6.807 -3.767 7.472 1.00 1.00 C ATOM 796 C GLN A 48 -6.826 -3.013 8.804 1.00 1.00 C ATOM 797 O GLN A 48 -7.707 -2.161 8.986 1.00 1.00 O ATOM 798 CB GLN A 48 -7.632 -5.052 7.557 1.00 1.00 C ATOM 799 CG GLN A 48 -7.495 -5.702 8.936 1.00 1.00 C ATOM 800 CD GLN A 48 -8.479 -5.087 9.933 1.00 1.00 C ATOM 801 OE1 GLN A 48 -8.104 -4.426 10.888 1.00 1.00 O ATOM 802 NE2 GLN A 48 -9.755 -5.339 9.659 1.00 1.00 N ATOM 0 H GLN A 48 -5.248 -5.016 6.858 1.00 1.00 H new ATOM 0 HA GLN A 48 -7.264 -3.147 6.701 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -8.680 -4.829 7.359 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -7.304 -5.751 6.788 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -7.675 -6.774 8.856 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -6.476 -5.577 9.301 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -10.000 -5.900 8.843 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -10.489 -4.972 10.265 1.00 1.00 H new ATOM 811 N ASN A 49 -5.870 -3.337 9.693 1.00 1.00 N ATOM 812 CA ASN A 49 -5.778 -2.695 10.993 1.00 1.00 C ATOM 813 C ASN A 49 -5.010 -1.380 10.855 1.00 1.00 C ATOM 814 O ASN A 49 -5.349 -0.421 11.564 1.00 1.00 O ATOM 815 CB ASN A 49 -5.028 -3.579 11.992 1.00 1.00 C ATOM 816 CG ASN A 49 -4.984 -2.927 13.375 1.00 1.00 C ATOM 817 OD1 ASN A 49 -5.677 -1.964 13.658 1.00 1.00 O ATOM 818 ND2 ASN A 49 -4.133 -3.505 14.218 1.00 1.00 N ATOM 0 H ASN A 49 -5.154 -4.043 9.523 1.00 1.00 H new ATOM 0 HA ASN A 49 -6.791 -2.521 11.355 1.00 1.00 H new ATOM 0 HB2 ASN A 49 -5.515 -4.552 12.060 1.00 1.00 H new ATOM 0 HB3 ASN A 49 -4.013 -3.755 11.637 1.00 1.00 H new ATOM 0 HD21 ASN A 49 -4.031 -3.144 15.167 1.00 1.00 H new ATOM 0 HD22 ASN A 49 -3.583 -4.309 13.916 1.00 1.00 H new ATOM 825 N SER A 50 -4.006 -1.360 9.960 1.00 1.00 N ATOM 826 CA SER A 50 -3.199 -0.173 9.733 1.00 1.00 C ATOM 827 C SER A 50 -4.105 0.977 9.288 1.00 1.00 C ATOM 828 O SER A 50 -4.037 2.052 9.900 1.00 1.00 O ATOM 829 CB SER A 50 -2.111 -0.426 8.688 1.00 1.00 C ATOM 830 OG SER A 50 -0.820 -0.051 9.161 1.00 1.00 O ATOM 0 H SER A 50 -3.743 -2.161 9.386 1.00 1.00 H new ATOM 0 HA SER A 50 -2.701 0.090 10.666 1.00 1.00 H new ATOM 0 HB2 SER A 50 -2.106 -1.482 8.418 1.00 1.00 H new ATOM 0 HB3 SER A 50 -2.342 0.133 7.781 1.00 1.00 H new ATOM 0 HG SER A 50 -0.894 0.762 9.704 1.00 1.00 H new ATOM 836 N ILE A 51 -4.922 0.732 8.248 1.00 1.00 N ATOM 837 CA ILE A 51 -5.831 1.739 7.728 1.00 1.00 C ATOM 838 C ILE A 51 -6.598 2.375 8.889 1.00 1.00 C ATOM 839 O ILE A 51 -6.813 3.595 8.856 1.00 1.00 O ATOM 840 CB ILE A 51 -6.735 1.140 6.649 1.00 1.00 C ATOM 841 CG1 ILE A 51 -7.115 2.192 5.606 1.00 1.00 C ATOM 842 CG2 ILE A 51 -7.966 0.478 7.271 1.00 1.00 C ATOM 843 CD1 ILE A 51 -8.321 3.013 6.069 1.00 1.00 C ATOM 0 H ILE A 51 -4.963 -0.161 7.758 1.00 1.00 H new ATOM 0 HA ILE A 51 -5.274 2.537 7.237 1.00 1.00 H new ATOM 0 HB ILE A 51 -6.178 0.360 6.130 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -6.268 2.854 5.426 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -7.345 1.704 4.659 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -8.592 0.060 6.482 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -7.650 -0.319 7.944 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -8.535 1.221 7.831 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -8.570 3.754 5.309 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -9.173 2.352 6.225 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -8.079 3.519 7.004 1.00 1.00 H new ATOM 855 N ARG A 52 -6.989 1.550 9.877 1.00 1.00 N ATOM 856 CA ARG A 52 -7.724 2.029 11.035 1.00 1.00 C ATOM 857 C ARG A 52 -6.822 2.946 11.863 1.00 1.00 C ATOM 858 O ARG A 52 -7.318 3.968 12.359 1.00 1.00 O ATOM 859 CB ARG A 52 -8.207 0.873 11.913 1.00 1.00 C ATOM 860 CG ARG A 52 -8.769 1.390 13.239 1.00 1.00 C ATOM 861 CD ARG A 52 -9.128 0.231 14.171 1.00 1.00 C ATOM 862 NE ARG A 52 -8.800 0.586 15.570 1.00 1.00 N ATOM 863 CZ ARG A 52 -7.554 0.549 16.088 1.00 1.00 C ATOM 864 NH1 ARG A 52 -6.536 0.169 15.304 1.00 1.00 N ATOM 865 NH2 ARG A 52 -7.339 0.886 17.367 1.00 1.00 N ATOM 0 H ARG A 52 -6.802 0.547 9.885 1.00 1.00 H new ATOM 0 HA ARG A 52 -8.598 2.574 10.678 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -8.974 0.306 11.385 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -7.381 0.188 12.106 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -8.036 2.036 13.722 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -9.654 1.998 13.051 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -10.190 0.000 14.085 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -8.582 -0.665 13.877 1.00 1.00 H new ATOM 0 HE ARG A 52 -9.563 0.877 16.181 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -6.709 -0.087 14.332 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -5.588 0.135 15.679 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -8.120 1.173 17.957 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -6.394 0.855 17.751 1.00 1.00 H new ATOM 879 N HIS A 53 -5.537 2.570 11.992 1.00 1.00 N ATOM 880 CA HIS A 53 -4.579 3.354 12.753 1.00 1.00 C ATOM 881 C HIS A 53 -4.422 4.730 12.103 1.00 1.00 C ATOM 882 O HIS A 53 -4.607 5.737 12.803 1.00 1.00 O ATOM 883 CB HIS A 53 -3.249 2.609 12.891 1.00 1.00 C ATOM 884 CG HIS A 53 -2.107 3.246 12.136 1.00 1.00 C ATOM 885 ND1 HIS A 53 -1.567 2.693 10.988 1.00 1.00 N ATOM 886 CD2 HIS A 53 -1.410 4.393 12.375 1.00 1.00 C ATOM 887 CE1 HIS A 53 -0.589 3.480 10.565 1.00 1.00 C ATOM 888 NE2 HIS A 53 -0.492 4.533 11.427 1.00 1.00 N ATOM 0 H HIS A 53 -5.149 1.725 11.574 1.00 1.00 H new ATOM 0 HA HIS A 53 -4.948 3.504 13.768 1.00 1.00 H new ATOM 0 HB2 HIS A 53 -2.985 2.550 13.947 1.00 1.00 H new ATOM 0 HB3 HIS A 53 -3.379 1.586 12.538 1.00 1.00 H new ATOM 0 HD2 HIS A 53 -1.577 5.073 13.197 1.00 1.00 H new ATOM 0 HE1 HIS A 53 0.024 3.317 9.691 1.00 1.00 H new ATOM 0 HE2 HIS A 53 0.176 5.301 11.355 1.00 1.00 H new ATOM 896 N ASN A 54 -4.090 4.747 10.800 1.00 1.00 N ATOM 897 CA ASN A 54 -3.912 5.989 10.066 1.00 1.00 C ATOM 898 C ASN A 54 -5.239 6.748 10.026 1.00 1.00 C ATOM 899 O ASN A 54 -5.210 7.987 10.014 1.00 1.00 O ATOM 900 CB ASN A 54 -3.477 5.719 8.624 1.00 1.00 C ATOM 901 CG ASN A 54 -3.055 7.014 7.928 1.00 1.00 C ATOM 902 OD1 ASN A 54 -3.737 8.024 7.973 1.00 1.00 O ATOM 903 ND2 ASN A 54 -1.895 6.928 7.282 1.00 1.00 N ATOM 0 H ASN A 54 -3.942 3.906 10.242 1.00 1.00 H new ATOM 0 HA ASN A 54 -3.142 6.572 10.572 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -2.648 5.011 8.617 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -4.296 5.256 8.074 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -1.527 7.739 6.785 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -1.374 6.051 7.284 1.00 1.00 H new ATOM 910 N LEU A 55 -6.359 6.002 10.006 1.00 1.00 N ATOM 911 CA LEU A 55 -7.682 6.601 9.967 1.00 1.00 C ATOM 912 C LEU A 55 -7.844 7.547 11.159 1.00 1.00 C ATOM 913 O LEU A 55 -8.184 8.719 10.939 1.00 1.00 O ATOM 914 CB LEU A 55 -8.759 5.516 9.893 1.00 1.00 C ATOM 915 CG LEU A 55 -10.207 6.000 9.993 1.00 1.00 C ATOM 916 CD1 LEU A 55 -10.602 6.807 8.754 1.00 1.00 C ATOM 917 CD2 LEU A 55 -11.160 4.830 10.243 1.00 1.00 C ATOM 0 H LEU A 55 -6.361 4.982 10.017 1.00 1.00 H new ATOM 0 HA LEU A 55 -7.802 7.200 9.065 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -8.641 4.978 8.952 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -8.580 4.799 10.695 1.00 1.00 H new ATOM 0 HG LEU A 55 -10.286 6.668 10.851 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -11.636 7.139 8.850 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -9.949 7.675 8.662 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -10.503 6.182 7.866 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -12.183 5.202 10.310 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -11.086 4.118 9.421 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -10.892 4.335 11.177 1.00 1.00 H new ATOM 929 N SER A 56 -7.602 7.030 12.376 1.00 1.00 N ATOM 930 CA SER A 56 -7.720 7.823 13.588 1.00 1.00 C ATOM 931 C SER A 56 -6.525 8.773 13.689 1.00 1.00 C ATOM 932 O SER A 56 -6.661 9.826 14.328 1.00 1.00 O ATOM 933 CB SER A 56 -7.799 6.937 14.832 1.00 1.00 C ATOM 934 OG SER A 56 -7.241 7.574 15.978 1.00 1.00 O ATOM 0 H SER A 56 -7.323 6.062 12.535 1.00 1.00 H new ATOM 0 HA SER A 56 -8.645 8.398 13.536 1.00 1.00 H new ATOM 0 HB2 SER A 56 -8.840 6.682 15.030 1.00 1.00 H new ATOM 0 HB3 SER A 56 -7.272 6.001 14.645 1.00 1.00 H new ATOM 0 HG SER A 56 -7.312 6.976 16.752 1.00 1.00 H new ATOM 940 N LEU A 57 -5.396 8.390 13.065 1.00 1.00 N ATOM 941 CA LEU A 57 -4.192 9.202 13.085 1.00 1.00 C ATOM 942 C LEU A 57 -4.259 10.234 11.958 1.00 1.00 C ATOM 943 O LEU A 57 -3.222 10.840 11.650 1.00 1.00 O ATOM 944 CB LEU A 57 -2.946 8.315 13.033 1.00 1.00 C ATOM 945 CG LEU A 57 -2.350 7.915 14.384 1.00 1.00 C ATOM 946 CD1 LEU A 57 -1.791 9.135 15.119 1.00 1.00 C ATOM 947 CD2 LEU A 57 -3.372 7.155 15.231 1.00 1.00 C ATOM 0 H LEU A 57 -5.305 7.519 12.543 1.00 1.00 H new ATOM 0 HA LEU A 57 -4.122 9.756 14.021 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -3.194 7.406 12.484 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -2.178 8.834 12.459 1.00 1.00 H new ATOM 0 HG LEU A 57 -1.516 7.238 14.202 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -1.373 8.823 16.076 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -1.010 9.597 14.515 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -2.591 9.855 15.290 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -2.923 6.883 16.186 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -4.242 7.788 15.407 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -3.681 6.252 14.705 1.00 1.00 H new ATOM 959 N ASN A 58 -5.458 10.411 11.374 1.00 1.00 N ATOM 960 CA ASN A 58 -5.655 11.361 10.292 1.00 1.00 C ATOM 961 C ASN A 58 -6.304 12.631 10.846 1.00 1.00 C ATOM 962 O ASN A 58 -5.570 13.584 11.149 1.00 1.00 O ATOM 963 CB ASN A 58 -6.581 10.787 9.218 1.00 1.00 C ATOM 964 CG ASN A 58 -6.981 11.864 8.207 1.00 1.00 C ATOM 965 OD1 ASN A 58 -8.123 12.287 8.131 1.00 1.00 O ATOM 966 ND2 ASN A 58 -5.980 12.281 7.437 1.00 1.00 N ATOM 0 H ASN A 58 -6.300 9.902 11.642 1.00 1.00 H new ATOM 0 HA ASN A 58 -4.682 11.577 9.852 1.00 1.00 H new ATOM 0 HB2 ASN A 58 -6.082 9.967 8.703 1.00 1.00 H new ATOM 0 HB3 ASN A 58 -7.474 10.373 9.686 1.00 1.00 H new ATOM 0 HD21 ASN A 58 -6.145 12.997 6.730 1.00 1.00 H new ATOM 0 HD22 ASN A 58 -5.048 11.884 7.554 1.00 1.00 H new ATOM 973 N ASP A 59 -7.643 12.620 10.967 1.00 1.00 N ATOM 974 CA ASP A 59 -8.380 13.762 11.479 1.00 1.00 C ATOM 975 C ASP A 59 -8.303 13.769 13.007 1.00 1.00 C ATOM 976 O ASP A 59 -8.517 14.835 13.604 1.00 1.00 O ATOM 977 CB ASP A 59 -9.855 13.690 11.081 1.00 1.00 C ATOM 978 CG ASP A 59 -10.123 13.771 9.576 1.00 1.00 C ATOM 979 OD1 ASP A 59 -10.168 14.966 9.094 1.00 1.00 O ATOM 980 OD2 ASP A 59 -10.281 12.744 8.900 1.00 1.00 O ATOM 0 H ASP A 59 -8.228 11.824 10.713 1.00 1.00 H new ATOM 0 HA ASP A 59 -7.937 14.665 11.059 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -10.273 12.757 11.460 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -10.389 14.502 11.574 1.00 1.00 H new ATOM 985 N CYS A 60 -8.004 12.600 13.601 1.00 1.00 N ATOM 986 CA CYS A 60 -7.900 12.473 15.044 1.00 1.00 C ATOM 987 C CYS A 60 -9.301 12.520 15.658 1.00 1.00 C ATOM 988 O CYS A 60 -9.445 13.075 16.757 1.00 1.00 O ATOM 989 CB CYS A 60 -6.985 13.551 15.629 1.00 1.00 C ATOM 990 SG CYS A 60 -5.245 13.060 15.805 1.00 1.00 S ATOM 0 H CYS A 60 -7.832 11.733 13.091 1.00 1.00 H new ATOM 0 HA CYS A 60 -7.446 11.513 15.289 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -7.036 14.435 14.993 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -7.367 13.840 16.608 1.00 1.00 H new ATOM 0 HG CYS A 60 -4.564 14.047 16.306 1.00 1.00 H new ATOM 996 N PHE A 61 -10.289 11.946 14.948 1.00 1.00 N ATOM 997 CA PHE A 61 -11.663 11.922 15.420 1.00 1.00 C ATOM 998 C PHE A 61 -11.784 10.925 16.574 1.00 1.00 C ATOM 999 O PHE A 61 -10.750 10.397 17.008 1.00 1.00 O ATOM 1000 CB PHE A 61 -12.593 11.528 14.256 1.00 1.00 C ATOM 1001 CG PHE A 61 -11.933 10.683 13.175 1.00 1.00 C ATOM 1002 CD1 PHE A 61 -11.370 9.427 13.502 1.00 1.00 C ATOM 1003 CD2 PHE A 61 -11.885 11.143 11.838 1.00 1.00 C ATOM 1004 CE1 PHE A 61 -10.762 8.640 12.501 1.00 1.00 C ATOM 1005 CE2 PHE A 61 -11.276 10.354 10.838 1.00 1.00 C ATOM 1006 CZ PHE A 61 -10.715 9.103 11.169 1.00 1.00 C ATOM 0 H PHE A 61 -10.149 11.494 14.044 1.00 1.00 H new ATOM 0 HA PHE A 61 -11.954 12.908 15.781 1.00 1.00 H new ATOM 0 HB2 PHE A 61 -13.444 10.979 14.658 1.00 1.00 H new ATOM 0 HB3 PHE A 61 -12.986 12.436 13.799 1.00 1.00 H new ATOM 0 HD1 PHE A 61 -11.406 9.070 14.521 1.00 1.00 H new ATOM 0 HD2 PHE A 61 -12.315 12.100 11.582 1.00 1.00 H new ATOM 0 HE1 PHE A 61 -10.332 7.682 12.755 1.00 1.00 H new ATOM 0 HE2 PHE A 61 -11.240 10.709 9.819 1.00 1.00 H new ATOM 0 HZ PHE A 61 -10.250 8.500 10.403 1.00 1.00 H new ATOM 1016 N VAL A 62 -13.024 10.690 17.039 1.00 1.00 N ATOM 1017 CA VAL A 62 -13.275 9.765 18.131 1.00 1.00 C ATOM 1018 C VAL A 62 -13.953 8.508 17.583 1.00 1.00 C ATOM 1019 O VAL A 62 -14.595 8.597 16.526 1.00 1.00 O ATOM 1020 CB VAL A 62 -14.092 10.456 19.225 1.00 1.00 C ATOM 1021 CG1 VAL A 62 -15.552 10.000 19.189 1.00 1.00 C ATOM 1022 CG2 VAL A 62 -13.476 10.215 20.604 1.00 1.00 C ATOM 0 H VAL A 62 -13.863 11.135 16.666 1.00 1.00 H new ATOM 0 HA VAL A 62 -12.337 9.454 18.591 1.00 1.00 H new ATOM 0 HB VAL A 62 -14.071 11.529 19.032 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -16.111 10.506 19.976 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -15.986 10.246 18.220 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -15.601 8.922 19.345 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -14.076 10.717 21.363 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -13.452 9.145 20.810 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -12.461 10.611 20.623 1.00 1.00 H new ATOM 1032 N LYS A 63 -13.799 7.380 18.299 1.00 1.00 N ATOM 1033 CA LYS A 63 -14.392 6.119 17.887 1.00 1.00 C ATOM 1034 C LYS A 63 -15.215 5.546 19.042 1.00 1.00 C ATOM 1035 O LYS A 63 -14.987 5.956 20.190 1.00 1.00 O ATOM 1036 CB LYS A 63 -13.314 5.165 17.368 1.00 1.00 C ATOM 1037 CG LYS A 63 -12.252 4.903 18.437 1.00 1.00 C ATOM 1038 CD LYS A 63 -10.917 4.510 17.800 1.00 1.00 C ATOM 1039 CE LYS A 63 -9.793 5.437 18.267 1.00 1.00 C ATOM 1040 NZ LYS A 63 -9.060 4.833 19.392 1.00 1.00 N ATOM 0 H LYS A 63 -13.265 7.328 19.167 1.00 1.00 H new ATOM 0 HA LYS A 63 -15.077 6.274 17.053 1.00 1.00 H new ATOM 0 HB2 LYS A 63 -13.772 4.223 17.067 1.00 1.00 H new ATOM 0 HB3 LYS A 63 -12.845 5.589 16.481 1.00 1.00 H new ATOM 0 HG2 LYS A 63 -12.118 5.796 19.048 1.00 1.00 H new ATOM 0 HG3 LYS A 63 -12.589 4.108 19.103 1.00 1.00 H new ATOM 0 HD2 LYS A 63 -10.675 3.480 18.060 1.00 1.00 H new ATOM 0 HD3 LYS A 63 -11.001 4.553 16.714 1.00 1.00 H new ATOM 0 HE2 LYS A 63 -9.108 5.632 17.442 1.00 1.00 H new ATOM 0 HE3 LYS A 63 -10.209 6.398 18.570 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 -8.301 5.475 19.696 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 -9.714 4.669 20.184 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 -8.647 3.927 19.091 1.00 1.00 H new ATOM 1054 N ILE A 64 -16.142 4.624 18.722 1.00 1.00 N ATOM 1055 CA ILE A 64 -16.989 4.003 19.726 1.00 1.00 C ATOM 1056 C ILE A 64 -16.393 2.651 20.124 1.00 1.00 C ATOM 1057 O ILE A 64 -16.462 1.716 19.314 1.00 1.00 O ATOM 1058 CB ILE A 64 -18.433 3.917 19.229 1.00 1.00 C ATOM 1059 CG1 ILE A 64 -19.164 5.246 19.433 1.00 1.00 C ATOM 1060 CG2 ILE A 64 -19.171 2.750 19.888 1.00 1.00 C ATOM 1061 CD1 ILE A 64 -20.506 5.252 18.698 1.00 1.00 C ATOM 0 H ILE A 64 -16.314 4.300 17.770 1.00 1.00 H new ATOM 0 HA ILE A 64 -17.023 4.614 20.628 1.00 1.00 H new ATOM 0 HB ILE A 64 -18.414 3.722 18.157 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -19.327 5.416 20.497 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -18.543 6.066 19.071 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -20.195 2.711 19.517 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -18.663 1.816 19.648 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -19.181 2.890 20.969 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -21.005 6.208 18.859 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -20.337 5.106 17.631 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -21.133 4.446 19.079 1.00 1.00 H new ATOM 1073 N PRO A 65 -15.831 2.577 21.344 1.00 1.00 N ATOM 1074 CA PRO A 65 -15.222 1.369 21.874 1.00 1.00 C ATOM 1075 C PRO A 65 -16.289 0.358 22.298 1.00 1.00 C ATOM 1076 O PRO A 65 -15.969 -0.837 22.379 1.00 1.00 O ATOM 1077 CB PRO A 65 -14.356 1.840 23.031 1.00 1.00 C ATOM 1078 CG PRO A 65 -14.869 3.222 23.400 1.00 1.00 C ATOM 1079 CD PRO A 65 -15.768 3.702 22.272 1.00 1.00 C ATOM 0 HA PRO A 65 -14.621 0.841 21.134 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -14.430 1.157 23.877 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -13.306 1.878 22.743 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -15.421 3.186 24.339 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -14.037 3.912 23.545 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -16.759 3.967 22.641 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -15.359 4.590 21.790 1.00 1.00 H new ATOM 1087 N ARG A 66 -17.514 0.848 22.556 1.00 1.00 N ATOM 1088 CA ARG A 66 -18.615 -0.007 22.967 1.00 1.00 C ATOM 1089 C ARG A 66 -19.827 0.860 23.313 1.00 1.00 C ATOM 1090 O ARG A 66 -20.091 1.056 24.508 1.00 1.00 O ATOM 1091 CB ARG A 66 -18.243 -0.859 24.183 1.00 1.00 C ATOM 1092 CG ARG A 66 -19.104 -2.121 24.252 1.00 1.00 C ATOM 1093 CD ARG A 66 -18.238 -3.365 24.462 1.00 1.00 C ATOM 1094 NE ARG A 66 -17.989 -4.033 23.166 1.00 1.00 N ATOM 1095 CZ ARG A 66 -17.007 -4.936 22.956 1.00 1.00 C ATOM 1096 NH1 ARG A 66 -16.196 -5.261 23.972 1.00 1.00 N ATOM 1097 NH2 ARG A 66 -16.846 -5.498 21.750 1.00 1.00 N ATOM 0 H ARG A 66 -17.756 1.836 22.484 1.00 1.00 H new ATOM 0 HA ARG A 66 -18.849 -0.678 22.140 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -17.190 -1.135 24.129 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -18.373 -0.275 25.094 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -19.822 -2.032 25.067 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -19.678 -2.225 23.331 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -17.291 -3.085 24.924 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -18.735 -4.053 25.146 1.00 1.00 H new ATOM 0 HE ARG A 66 -18.597 -3.797 22.382 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -16.326 -4.828 24.886 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -15.449 -5.941 23.831 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -17.468 -5.245 20.982 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -16.102 -6.179 21.600 1.00 1.00 H new ATOM 1111 N GLU A 67 -20.529 1.355 22.277 1.00 1.00 N ATOM 1112 CA GLU A 67 -21.701 2.192 22.470 1.00 1.00 C ATOM 1113 C GLU A 67 -22.827 1.353 23.076 1.00 1.00 C ATOM 1114 O GLU A 67 -23.003 0.204 22.646 1.00 1.00 O ATOM 1115 CB GLU A 67 -22.147 2.845 21.160 1.00 1.00 C ATOM 1116 CG GLU A 67 -23.490 3.558 21.333 1.00 1.00 C ATOM 1117 CD GLU A 67 -23.286 5.038 21.662 1.00 1.00 C ATOM 1118 OE1 GLU A 67 -22.228 5.569 21.152 1.00 1.00 O ATOM 1119 OE2 GLU A 67 -24.109 5.634 22.372 1.00 1.00 O ATOM 0 H GLU A 67 -20.294 1.182 21.299 1.00 1.00 H new ATOM 0 HA GLU A 67 -21.445 3.000 23.156 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -21.392 3.559 20.830 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -22.231 2.087 20.382 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -24.077 3.462 20.420 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -24.060 3.080 22.130 1.00 1.00 H new ATOM 1126 N PRO A 68 -23.555 1.933 24.047 1.00 1.00 N ATOM 1127 CA PRO A 68 -24.659 1.275 24.725 1.00 1.00 C ATOM 1128 C PRO A 68 -25.896 1.213 23.826 1.00 1.00 C ATOM 1129 O PRO A 68 -26.858 1.946 24.097 1.00 1.00 O ATOM 1130 CB PRO A 68 -24.884 2.086 25.990 1.00 1.00 C ATOM 1131 CG PRO A 68 -24.215 3.430 25.748 1.00 1.00 C ATOM 1132 CD PRO A 68 -23.318 3.291 24.529 1.00 1.00 C ATOM 0 HA PRO A 68 -24.443 0.235 24.968 1.00 1.00 H new ATOM 0 HB2 PRO A 68 -25.948 2.210 26.190 1.00 1.00 H new ATOM 0 HB3 PRO A 68 -24.453 1.585 26.857 1.00 1.00 H new ATOM 0 HG2 PRO A 68 -24.964 4.205 25.585 1.00 1.00 H new ATOM 0 HG3 PRO A 68 -23.632 3.729 26.619 1.00 1.00 H new ATOM 0 HD2 PRO A 68 -23.567 4.030 23.768 1.00 1.00 H new ATOM 0 HD3 PRO A 68 -22.270 3.442 24.789 1.00 1.00 H new ATOM 1140 N GLY A 69 -25.846 0.354 22.792 1.00 1.00 N ATOM 1141 CA GLY A 69 -26.955 0.201 21.865 1.00 1.00 C ATOM 1142 C GLY A 69 -26.563 -0.791 20.768 1.00 1.00 C ATOM 1143 O GLY A 69 -27.395 -1.640 20.417 1.00 1.00 O ATOM 0 H GLY A 69 -25.043 -0.241 22.587 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -27.840 -0.154 22.394 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -27.212 1.165 21.425 1.00 1.00 H new ATOM 1147 N ASN A 70 -25.325 -0.668 20.258 1.00 1.00 N ATOM 1148 CA ASN A 70 -24.831 -1.547 19.213 1.00 1.00 C ATOM 1149 C ASN A 70 -24.567 -2.934 19.801 1.00 1.00 C ATOM 1150 O ASN A 70 -23.793 -3.029 20.765 1.00 1.00 O ATOM 1151 CB ASN A 70 -23.517 -1.024 18.628 1.00 1.00 C ATOM 1152 CG ASN A 70 -22.741 -2.145 17.934 1.00 1.00 C ATOM 1153 OD1 ASN A 70 -23.225 -2.801 17.026 1.00 1.00 O ATOM 1154 ND2 ASN A 70 -21.514 -2.329 18.412 1.00 1.00 N ATOM 0 H ASN A 70 -24.655 0.038 20.562 1.00 1.00 H new ATOM 0 HA ASN A 70 -25.584 -1.591 18.426 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -23.724 -0.225 17.916 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -22.908 -0.593 19.422 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -20.916 -3.055 18.017 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -21.171 -1.744 19.174 1.00 1.00 H new ATOM 1161 N PRO A 71 -25.205 -3.966 19.220 1.00 1.00 N ATOM 1162 CA PRO A 71 -25.064 -5.345 19.657 1.00 1.00 C ATOM 1163 C PRO A 71 -23.717 -5.924 19.219 1.00 1.00 C ATOM 1164 O PRO A 71 -23.286 -6.926 19.808 1.00 1.00 O ATOM 1165 CB PRO A 71 -26.250 -6.074 19.046 1.00 1.00 C ATOM 1166 CG PRO A 71 -26.749 -5.186 17.918 1.00 1.00 C ATOM 1167 CD PRO A 71 -26.110 -3.817 18.085 1.00 1.00 C ATOM 0 HA PRO A 71 -25.067 -5.445 20.742 1.00 1.00 H new ATOM 0 HB2 PRO A 71 -25.955 -7.054 18.670 1.00 1.00 H new ATOM 0 HB3 PRO A 71 -27.031 -6.239 19.788 1.00 1.00 H new ATOM 0 HG2 PRO A 71 -26.487 -5.614 16.951 1.00 1.00 H new ATOM 0 HG3 PRO A 71 -27.836 -5.106 17.947 1.00 1.00 H new ATOM 0 HD2 PRO A 71 -25.571 -3.519 17.185 1.00 1.00 H new ATOM 0 HD3 PRO A 71 -26.861 -3.050 18.275 1.00 1.00 H new ATOM 1175 N GLY A 72 -23.089 -5.292 18.211 1.00 1.00 N ATOM 1176 CA GLY A 72 -21.804 -5.741 17.703 1.00 1.00 C ATOM 1177 C GLY A 72 -21.839 -5.744 16.173 1.00 1.00 C ATOM 1178 O GLY A 72 -21.933 -6.833 15.588 1.00 1.00 O ATOM 0 H GLY A 72 -23.461 -4.468 17.739 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -21.010 -5.085 18.059 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -21.582 -6.741 18.075 1.00 1.00 H new ATOM 1182 N LYS A 73 -21.763 -4.546 15.566 1.00 1.00 N ATOM 1183 CA LYS A 73 -21.787 -4.413 14.120 1.00 1.00 C ATOM 1184 C LYS A 73 -20.661 -3.475 13.680 1.00 1.00 C ATOM 1185 O LYS A 73 -19.691 -3.959 13.077 1.00 1.00 O ATOM 1186 CB LYS A 73 -23.173 -3.975 13.644 1.00 1.00 C ATOM 1187 CG LYS A 73 -23.260 -3.992 12.117 1.00 1.00 C ATOM 1188 CD LYS A 73 -24.682 -3.683 11.644 1.00 1.00 C ATOM 1189 CE LYS A 73 -24.953 -4.308 10.275 1.00 1.00 C ATOM 1190 NZ LYS A 73 -25.423 -3.286 9.325 1.00 1.00 N ATOM 0 H LYS A 73 -21.685 -3.661 16.067 1.00 1.00 H new ATOM 0 HA LYS A 73 -21.603 -5.377 13.646 1.00 1.00 H new ATOM 0 HB2 LYS A 73 -23.931 -4.637 14.062 1.00 1.00 H new ATOM 0 HB3 LYS A 73 -23.388 -2.972 14.013 1.00 1.00 H new ATOM 0 HG2 LYS A 73 -22.568 -3.259 11.702 1.00 1.00 H new ATOM 0 HG3 LYS A 73 -22.953 -4.969 11.743 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -25.401 -4.063 12.370 1.00 1.00 H new ATOM 0 HD3 LYS A 73 -24.824 -2.604 11.589 1.00 1.00 H new ATOM 0 HE2 LYS A 73 -24.044 -4.775 9.896 1.00 1.00 H new ATOM 0 HE3 LYS A 73 -25.700 -5.096 10.370 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 -25.602 -3.728 8.401 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 -26.302 -2.859 9.681 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 -24.697 -2.548 9.221 1.00 1.00 H new ATOM 1204 N GLY A 74 -20.808 -2.174 13.985 1.00 1.00 N ATOM 1205 CA GLY A 74 -19.810 -1.181 13.624 1.00 1.00 C ATOM 1206 C GLY A 74 -19.693 -0.150 14.748 1.00 1.00 C ATOM 1207 O GLY A 74 -20.027 -0.486 15.894 1.00 1.00 O ATOM 0 H GLY A 74 -21.614 -1.796 14.482 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -18.847 -1.662 13.454 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -20.090 -0.690 12.692 1.00 1.00 H new ATOM 1211 N ASN A 75 -19.229 1.066 14.405 1.00 1.00 N ATOM 1212 CA ASN A 75 -19.071 2.132 15.379 1.00 1.00 C ATOM 1213 C ASN A 75 -19.539 3.452 14.764 1.00 1.00 C ATOM 1214 O ASN A 75 -20.046 3.429 13.633 1.00 1.00 O ATOM 1215 CB ASN A 75 -17.604 2.294 15.785 1.00 1.00 C ATOM 1216 CG ASN A 75 -16.859 0.961 15.691 1.00 1.00 C ATOM 1217 OD1 ASN A 75 -16.399 0.550 14.639 1.00 1.00 O ATOM 1218 ND2 ASN A 75 -16.767 0.311 16.848 1.00 1.00 N ATOM 0 H ASN A 75 -18.960 1.323 13.455 1.00 1.00 H new ATOM 0 HA ASN A 75 -19.663 1.876 16.258 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -17.123 3.030 15.140 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -17.545 2.677 16.804 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -16.288 -0.589 16.891 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -17.175 0.712 17.692 1.00 1.00 H new ATOM 1225 N TYR A 76 -19.364 4.559 15.508 1.00 1.00 N ATOM 1226 CA TYR A 76 -19.792 5.844 14.982 1.00 1.00 C ATOM 1227 C TYR A 76 -18.676 6.871 15.185 1.00 1.00 C ATOM 1228 O TYR A 76 -18.730 7.599 16.187 1.00 1.00 O ATOM 1229 CB TYR A 76 -21.104 6.282 15.659 1.00 1.00 C ATOM 1230 CG TYR A 76 -22.138 5.175 15.809 1.00 1.00 C ATOM 1231 CD1 TYR A 76 -22.412 4.312 14.723 1.00 1.00 C ATOM 1232 CD2 TYR A 76 -22.824 4.997 17.032 1.00 1.00 C ATOM 1233 CE1 TYR A 76 -23.367 3.282 14.858 1.00 1.00 C ATOM 1234 CE2 TYR A 76 -23.779 3.967 17.167 1.00 1.00 C ATOM 1235 CZ TYR A 76 -24.052 3.109 16.080 1.00 1.00 C ATOM 1236 OH TYR A 76 -24.976 2.111 16.206 1.00 1.00 O ATOM 0 H TYR A 76 -18.945 4.582 16.438 1.00 1.00 H new ATOM 0 HA TYR A 76 -19.989 5.763 13.913 1.00 1.00 H new ATOM 0 HB2 TYR A 76 -20.873 6.682 16.646 1.00 1.00 H new ATOM 0 HB3 TYR A 76 -21.542 7.095 15.081 1.00 1.00 H new ATOM 0 HD1 TYR A 76 -21.889 4.442 13.787 1.00 1.00 H new ATOM 0 HD2 TYR A 76 -22.617 5.651 17.866 1.00 1.00 H new ATOM 0 HE1 TYR A 76 -23.574 2.626 14.026 1.00 1.00 H new ATOM 0 HE2 TYR A 76 -24.302 3.835 18.103 1.00 1.00 H new ATOM 0 HH TYR A 76 -25.355 2.128 17.110 1.00 1.00 H new ATOM 1246 N TRP A 77 -17.702 6.905 14.259 1.00 1.00 N ATOM 1247 CA TRP A 77 -16.585 7.830 14.349 1.00 1.00 C ATOM 1248 C TRP A 77 -17.023 9.203 13.836 1.00 1.00 C ATOM 1249 O TRP A 77 -17.684 9.258 12.789 1.00 1.00 O ATOM 1250 CB TRP A 77 -15.372 7.272 13.602 1.00 1.00 C ATOM 1251 CG TRP A 77 -14.882 5.923 14.132 1.00 1.00 C ATOM 1252 CD1 TRP A 77 -15.601 4.955 14.717 1.00 1.00 C ATOM 1253 CD2 TRP A 77 -13.526 5.429 14.101 1.00 1.00 C ATOM 1254 NE1 TRP A 77 -14.811 3.878 15.064 1.00 1.00 N ATOM 1255 CE2 TRP A 77 -13.509 4.175 14.677 1.00 1.00 C ATOM 1256 CE3 TRP A 77 -12.353 6.021 13.601 1.00 1.00 C ATOM 1257 CZ2 TRP A 77 -12.346 3.407 14.809 1.00 1.00 C ATOM 1258 CZ3 TRP A 77 -11.199 5.241 13.741 1.00 1.00 C ATOM 1259 CH2 TRP A 77 -11.165 3.977 14.319 1.00 1.00 C ATOM 0 H TRP A 77 -17.676 6.296 13.441 1.00 1.00 H new ATOM 0 HA TRP A 77 -16.277 7.952 15.388 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -15.625 7.166 12.547 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -14.557 7.993 13.664 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -16.665 5.011 14.895 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -15.125 3.021 15.521 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -12.343 7.000 13.145 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -12.359 2.428 15.264 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -10.269 5.650 13.374 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -10.232 3.438 14.390 1.00 1.00 H new ATOM 1270 N THR A 78 -16.652 10.267 14.571 1.00 1.00 N ATOM 1271 CA THR A 78 -17.005 11.625 14.192 1.00 1.00 C ATOM 1272 C THR A 78 -15.757 12.347 13.682 1.00 1.00 C ATOM 1273 O THR A 78 -14.869 11.676 13.134 1.00 1.00 O ATOM 1274 CB THR A 78 -17.657 12.313 15.393 1.00 1.00 C ATOM 1275 OG1 THR A 78 -16.605 12.411 16.350 1.00 1.00 O ATOM 1276 CG2 THR A 78 -18.702 11.431 16.078 1.00 1.00 C ATOM 0 H THR A 78 -16.107 10.200 15.431 1.00 1.00 H new ATOM 0 HA THR A 78 -17.729 11.639 13.377 1.00 1.00 H new ATOM 0 HB THR A 78 -18.124 13.243 15.068 1.00 1.00 H new ATOM 0 HG1 THR A 78 -16.940 12.847 17.161 1.00 1.00 H new ATOM 0 HG21 THR A 78 -19.133 11.967 16.923 1.00 1.00 H new ATOM 0 HG22 THR A 78 -19.489 11.181 15.367 1.00 1.00 H new ATOM 0 HG23 THR A 78 -18.229 10.515 16.433 1.00 1.00 H new ATOM 1284 N LEU A 79 -15.713 13.679 13.867 1.00 1.00 N ATOM 1285 CA LEU A 79 -14.584 14.481 13.428 1.00 1.00 C ATOM 1286 C LEU A 79 -14.340 15.606 14.436 1.00 1.00 C ATOM 1287 O LEU A 79 -15.152 16.542 14.483 1.00 1.00 O ATOM 1288 CB LEU A 79 -14.802 14.975 11.997 1.00 1.00 C ATOM 1289 CG LEU A 79 -13.608 14.836 11.050 1.00 1.00 C ATOM 1290 CD1 LEU A 79 -13.815 13.675 10.075 1.00 1.00 C ATOM 1291 CD2 LEU A 79 -13.329 16.152 10.322 1.00 1.00 C ATOM 0 H LEU A 79 -16.455 14.213 14.320 1.00 1.00 H new ATOM 0 HA LEU A 79 -13.677 13.877 13.398 1.00 1.00 H new ATOM 0 HB2 LEU A 79 -15.644 14.430 11.570 1.00 1.00 H new ATOM 0 HB3 LEU A 79 -15.089 16.026 12.036 1.00 1.00 H new ATOM 0 HG LEU A 79 -12.725 14.604 11.645 1.00 1.00 H new ATOM 0 HD11 LEU A 79 -12.953 13.598 9.413 1.00 1.00 H new ATOM 0 HD12 LEU A 79 -13.928 12.746 10.634 1.00 1.00 H new ATOM 0 HD13 LEU A 79 -14.712 13.853 9.482 1.00 1.00 H new ATOM 0 HD21 LEU A 79 -12.476 16.025 9.656 1.00 1.00 H new ATOM 0 HD22 LEU A 79 -14.205 16.439 9.740 1.00 1.00 H new ATOM 0 HD23 LEU A 79 -13.107 16.931 11.051 1.00 1.00 H new ATOM 1303 N ASP A 80 -13.247 15.494 15.211 1.00 1.00 N ATOM 1304 CA ASP A 80 -12.902 16.494 16.207 1.00 1.00 C ATOM 1305 C ASP A 80 -11.509 17.049 15.906 1.00 1.00 C ATOM 1306 O ASP A 80 -10.537 16.285 16.001 1.00 1.00 O ATOM 1307 CB ASP A 80 -12.877 15.887 17.611 1.00 1.00 C ATOM 1308 CG ASP A 80 -11.627 15.068 17.939 1.00 1.00 C ATOM 1309 OD1 ASP A 80 -10.617 15.757 18.353 1.00 1.00 O ATOM 1310 OD2 ASP A 80 -11.617 13.835 17.806 1.00 1.00 O ATOM 0 H ASP A 80 -12.592 14.714 15.158 1.00 1.00 H new ATOM 0 HA ASP A 80 -13.654 17.282 16.168 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -12.967 16.692 18.340 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -13.753 15.249 17.730 1.00 1.00 H new ATOM 1315 N PRO A 81 -11.439 18.345 15.555 1.00 1.00 N ATOM 1316 CA PRO A 81 -10.195 19.025 15.238 1.00 1.00 C ATOM 1317 C PRO A 81 -9.393 19.320 16.507 1.00 1.00 C ATOM 1318 O PRO A 81 -8.173 19.514 16.402 1.00 1.00 O ATOM 1319 CB PRO A 81 -10.613 20.283 14.494 1.00 1.00 C ATOM 1320 CG PRO A 81 -12.080 20.496 14.826 1.00 1.00 C ATOM 1321 CD PRO A 81 -12.607 19.216 15.453 1.00 1.00 C ATOM 0 HA PRO A 81 -9.528 18.418 14.625 1.00 1.00 H new ATOM 0 HB2 PRO A 81 -10.014 21.138 14.806 1.00 1.00 H new ATOM 0 HB3 PRO A 81 -10.469 20.168 13.420 1.00 1.00 H new ATOM 0 HG2 PRO A 81 -12.198 21.334 15.513 1.00 1.00 H new ATOM 0 HG3 PRO A 81 -12.644 20.740 13.925 1.00 1.00 H new ATOM 0 HD2 PRO A 81 -13.046 19.406 16.432 1.00 1.00 H new ATOM 0 HD3 PRO A 81 -13.385 18.765 14.837 1.00 1.00 H new ATOM 1329 N GLN A 82 -10.081 19.347 17.662 1.00 1.00 N ATOM 1330 CA GLN A 82 -9.436 19.616 18.937 1.00 1.00 C ATOM 1331 C GLN A 82 -8.267 18.648 19.126 1.00 1.00 C ATOM 1332 O GLN A 82 -7.185 19.101 19.526 1.00 1.00 O ATOM 1333 CB GLN A 82 -10.426 19.514 20.099 1.00 1.00 C ATOM 1334 CG GLN A 82 -11.034 18.112 20.181 1.00 1.00 C ATOM 1335 CD GLN A 82 -12.054 18.023 21.317 1.00 1.00 C ATOM 1336 OE1 GLN A 82 -13.256 18.010 21.107 1.00 1.00 O ATOM 1337 NE2 GLN A 82 -11.511 17.962 22.529 1.00 1.00 N ATOM 0 H GLN A 82 -11.086 19.184 17.727 1.00 1.00 H new ATOM 0 HA GLN A 82 -9.059 20.639 18.930 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -9.919 19.750 21.035 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -11.219 20.251 19.972 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -11.515 17.865 19.235 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -10.244 17.378 20.338 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -10.497 17.977 22.635 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -12.109 17.900 23.353 1.00 1.00 H new ATOM 1346 N SER A 83 -8.502 17.355 18.839 1.00 1.00 N ATOM 1347 CA SER A 83 -7.476 16.336 18.976 1.00 1.00 C ATOM 1348 C SER A 83 -6.293 16.684 18.070 1.00 1.00 C ATOM 1349 O SER A 83 -5.155 16.692 18.563 1.00 1.00 O ATOM 1350 CB SER A 83 -8.016 14.946 18.633 1.00 1.00 C ATOM 1351 OG SER A 83 -8.898 14.453 19.639 1.00 1.00 O ATOM 0 H SER A 83 -9.401 17.002 18.510 1.00 1.00 H new ATOM 0 HA SER A 83 -7.149 16.313 20.016 1.00 1.00 H new ATOM 0 HB2 SER A 83 -8.541 14.986 17.679 1.00 1.00 H new ATOM 0 HB3 SER A 83 -7.183 14.254 18.510 1.00 1.00 H new ATOM 0 HG SER A 83 -9.757 14.920 19.578 1.00 1.00 H new ATOM 1357 N GLU A 84 -6.580 16.960 16.785 1.00 1.00 N ATOM 1358 CA GLU A 84 -5.547 17.305 15.823 1.00 1.00 C ATOM 1359 C GLU A 84 -4.757 18.509 16.339 1.00 1.00 C ATOM 1360 O GLU A 84 -3.523 18.499 16.220 1.00 1.00 O ATOM 1361 CB GLU A 84 -6.139 17.589 14.441 1.00 1.00 C ATOM 1362 CG GLU A 84 -5.468 16.727 13.369 1.00 1.00 C ATOM 1363 CD GLU A 84 -5.096 17.566 12.145 1.00 1.00 C ATOM 1364 OE1 GLU A 84 -5.961 18.248 11.575 1.00 1.00 O ATOM 1365 OE2 GLU A 84 -3.859 17.493 11.789 1.00 1.00 O ATOM 0 H GLU A 84 -7.524 16.948 16.400 1.00 1.00 H new ATOM 0 HA GLU A 84 -4.874 16.454 15.712 1.00 1.00 H new ATOM 0 HB2 GLU A 84 -7.211 17.392 14.453 1.00 1.00 H new ATOM 0 HB3 GLU A 84 -6.012 18.644 14.197 1.00 1.00 H new ATOM 0 HG2 GLU A 84 -4.573 16.260 13.780 1.00 1.00 H new ATOM 0 HG3 GLU A 84 -6.140 15.922 13.072 1.00 1.00 H new ATOM 1372 N ASP A 85 -5.471 19.505 16.893 1.00 1.00 N ATOM 1373 CA ASP A 85 -4.840 20.703 17.421 1.00 1.00 C ATOM 1374 C ASP A 85 -4.382 20.443 18.857 1.00 1.00 C ATOM 1375 O ASP A 85 -4.265 21.410 19.624 1.00 1.00 O ATOM 1376 CB ASP A 85 -5.821 21.878 17.443 1.00 1.00 C ATOM 1377 CG ASP A 85 -6.091 22.520 16.080 1.00 1.00 C ATOM 1378 OD1 ASP A 85 -6.517 21.710 15.171 1.00 1.00 O ATOM 1379 OD2 ASP A 85 -5.906 23.732 15.898 1.00 1.00 O ATOM 0 H ASP A 85 -6.487 19.493 16.981 1.00 1.00 H new ATOM 0 HA ASP A 85 -3.995 20.950 16.778 1.00 1.00 H new ATOM 0 HB2 ASP A 85 -6.768 21.534 17.860 1.00 1.00 H new ATOM 0 HB3 ASP A 85 -5.435 22.642 18.118 1.00 1.00 H new ATOM 1384 N MET A 86 -4.136 19.162 19.188 1.00 1.00 N ATOM 1385 CA MET A 86 -3.696 18.782 20.519 1.00 1.00 C ATOM 1386 C MET A 86 -2.688 19.812 21.032 1.00 1.00 C ATOM 1387 O MET A 86 -2.698 20.097 22.239 1.00 1.00 O ATOM 1388 CB MET A 86 -3.042 17.399 20.489 1.00 1.00 C ATOM 1389 CG MET A 86 -2.076 17.275 19.309 1.00 1.00 C ATOM 1390 SD MET A 86 -2.264 15.649 18.520 1.00 1.00 S ATOM 1391 CE MET A 86 -0.667 14.901 18.955 1.00 1.00 C ATOM 0 H MET A 86 -4.238 18.380 18.542 1.00 1.00 H new ATOM 0 HA MET A 86 -4.561 18.748 21.182 1.00 1.00 H new ATOM 0 HB2 MET A 86 -2.506 17.226 21.422 1.00 1.00 H new ATOM 0 HB3 MET A 86 -3.811 16.630 20.416 1.00 1.00 H new ATOM 0 HG2 MET A 86 -2.271 18.065 18.584 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.050 17.405 19.653 1.00 1.00 H new ATOM 0 HE1 MET A 86 -0.433 14.106 18.247 1.00 1.00 H new ATOM 0 HE2 MET A 86 0.113 15.661 18.918 1.00 1.00 H new ATOM 0 HE3 MET A 86 -0.722 14.486 19.961 1.00 1.00 H new ATOM 1401 N PHE A 87 -1.853 20.343 20.122 1.00 1.00 N ATOM 1402 CA PHE A 87 -0.850 21.331 20.480 1.00 1.00 C ATOM 1403 C PHE A 87 0.022 21.632 19.260 1.00 1.00 C ATOM 1404 O PHE A 87 1.206 21.263 19.274 1.00 1.00 O ATOM 1405 CB PHE A 87 0.005 20.789 21.642 1.00 1.00 C ATOM 1406 CG PHE A 87 0.134 19.272 21.681 1.00 1.00 C ATOM 1407 CD1 PHE A 87 0.950 18.606 20.737 1.00 1.00 C ATOM 1408 CD2 PHE A 87 -0.553 18.520 22.663 1.00 1.00 C ATOM 1409 CE1 PHE A 87 1.076 17.201 20.773 1.00 1.00 C ATOM 1410 CE2 PHE A 87 -0.427 17.115 22.698 1.00 1.00 C ATOM 1411 CZ PHE A 87 0.387 16.455 21.753 1.00 1.00 C ATOM 0 H PHE A 87 -1.862 20.096 19.132 1.00 1.00 H new ATOM 0 HA PHE A 87 -1.331 22.255 20.801 1.00 1.00 H new ATOM 0 HB2 PHE A 87 1.002 21.224 21.575 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -0.428 21.128 22.583 1.00 1.00 H new ATOM 0 HD1 PHE A 87 1.478 19.175 19.986 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -1.176 19.023 23.388 1.00 1.00 H new ATOM 0 HE1 PHE A 87 1.700 16.696 20.050 1.00 1.00 H new ATOM 0 HE2 PHE A 87 -0.954 16.544 23.449 1.00 1.00 H new ATOM 0 HZ PHE A 87 0.483 15.380 21.780 1.00 1.00 H new ATOM 1421 N ASP A 88 -0.569 22.287 18.244 1.00 1.00 N ATOM 1422 CA ASP A 88 0.149 22.633 17.029 1.00 1.00 C ATOM 1423 C ASP A 88 0.226 21.405 16.120 1.00 1.00 C ATOM 1424 O ASP A 88 0.792 21.518 15.023 1.00 1.00 O ATOM 1425 CB ASP A 88 1.578 23.080 17.342 1.00 1.00 C ATOM 1426 CG ASP A 88 2.632 21.973 17.271 1.00 1.00 C ATOM 1427 OD1 ASP A 88 2.800 21.317 16.232 1.00 1.00 O ATOM 1428 OD2 ASP A 88 3.307 21.791 18.355 1.00 1.00 O ATOM 0 H ASP A 88 -1.545 22.583 18.252 1.00 1.00 H new ATOM 0 HA ASP A 88 -0.385 23.449 16.542 1.00 1.00 H new ATOM 0 HB2 ASP A 88 1.856 23.871 16.645 1.00 1.00 H new ATOM 0 HB3 ASP A 88 1.596 23.515 18.341 1.00 1.00 H new ATOM 1433 N ASN A 89 -0.335 20.274 16.586 1.00 1.00 N ATOM 1434 CA ASN A 89 -0.329 19.040 15.820 1.00 1.00 C ATOM 1435 C ASN A 89 -1.456 19.081 14.786 1.00 1.00 C ATOM 1436 O ASN A 89 -1.545 18.149 13.973 1.00 1.00 O ATOM 1437 CB ASN A 89 -0.563 17.829 16.726 1.00 1.00 C ATOM 1438 CG ASN A 89 0.465 16.730 16.449 1.00 1.00 C ATOM 1439 OD1 ASN A 89 0.146 15.647 15.989 1.00 1.00 O ATOM 1440 ND2 ASN A 89 1.714 17.070 16.755 1.00 1.00 N ATOM 0 H ASN A 89 -0.796 20.202 17.493 1.00 1.00 H new ATOM 0 HA ASN A 89 0.644 18.947 15.337 1.00 1.00 H new ATOM 0 HB2 ASN A 89 -0.501 18.135 17.770 1.00 1.00 H new ATOM 0 HB3 ASN A 89 -1.569 17.440 16.566 1.00 1.00 H new ATOM 0 HD21 ASN A 89 2.474 16.406 16.607 1.00 1.00 H new ATOM 0 HD22 ASN A 89 1.912 17.995 17.137 1.00 1.00 H new ATOM 1447 N GLY A 90 -2.280 20.143 14.835 1.00 1.00 N ATOM 1448 CA GLY A 90 -3.388 20.301 13.909 1.00 1.00 C ATOM 1449 C GLY A 90 -2.862 20.844 12.579 1.00 1.00 C ATOM 1450 O GLY A 90 -2.876 20.096 11.590 1.00 1.00 O ATOM 0 H GLY A 90 -2.189 20.900 15.512 1.00 1.00 H new ATOM 0 HA2 GLY A 90 -3.886 19.344 13.753 1.00 1.00 H new ATOM 0 HA3 GLY A 90 -4.130 20.982 14.325 1.00 1.00 H new ATOM 1454 N SER A 91 -2.416 22.113 12.580 1.00 1.00 N ATOM 1455 CA SER A 91 -1.891 22.746 11.382 1.00 1.00 C ATOM 1456 C SER A 91 -1.712 24.243 11.638 1.00 1.00 C ATOM 1457 O SER A 91 -2.519 25.031 11.122 1.00 1.00 O ATOM 1458 CB SER A 91 -2.811 22.519 10.180 1.00 1.00 C ATOM 1459 OG SER A 91 -2.318 21.500 9.315 1.00 1.00 O ATOM 0 H SER A 91 -2.414 22.712 13.405 1.00 1.00 H new ATOM 0 HA SER A 91 -0.927 22.295 11.146 1.00 1.00 H new ATOM 0 HB2 SER A 91 -3.806 22.246 10.532 1.00 1.00 H new ATOM 0 HB3 SER A 91 -2.914 23.450 9.622 1.00 1.00 H new ATOM 0 HG SER A 91 -2.313 20.642 9.789 1.00 1.00 H new ATOM 1465 N PHE A 92 -0.676 24.601 12.417 1.00 1.00 N ATOM 1466 CA PHE A 92 -0.397 25.991 12.737 1.00 1.00 C ATOM 1467 C PHE A 92 0.199 26.682 11.509 1.00 1.00 C ATOM 1468 O PHE A 92 -0.389 27.671 11.045 1.00 1.00 O ATOM 1469 CB PHE A 92 0.581 26.052 13.927 1.00 1.00 C ATOM 1470 CG PHE A 92 0.154 26.985 15.052 1.00 1.00 C ATOM 1471 CD1 PHE A 92 -0.166 28.334 14.771 1.00 1.00 C ATOM 1472 CD2 PHE A 92 0.069 26.510 16.381 1.00 1.00 C ATOM 1473 CE1 PHE A 92 -0.566 29.200 15.811 1.00 1.00 C ATOM 1474 CE2 PHE A 92 -0.331 27.377 17.421 1.00 1.00 C ATOM 1475 CZ PHE A 92 -0.648 28.722 17.136 1.00 1.00 C ATOM 0 H PHE A 92 -0.023 23.937 12.832 1.00 1.00 H new ATOM 0 HA PHE A 92 -1.317 26.505 13.014 1.00 1.00 H new ATOM 0 HB2 PHE A 92 0.702 25.047 14.332 1.00 1.00 H new ATOM 0 HB3 PHE A 92 1.558 26.368 13.561 1.00 1.00 H new ATOM 0 HD1 PHE A 92 -0.104 28.702 13.758 1.00 1.00 H new ATOM 0 HD2 PHE A 92 0.311 25.481 16.601 1.00 1.00 H new ATOM 0 HE1 PHE A 92 -0.810 30.229 15.593 1.00 1.00 H new ATOM 0 HE2 PHE A 92 -0.394 27.011 18.435 1.00 1.00 H new ATOM 0 HZ PHE A 92 -0.953 29.385 17.932 1.00 1.00 H new ATOM 1485 N LEU A 93 1.335 26.159 11.015 1.00 1.00 N ATOM 1486 CA LEU A 93 2.001 26.721 9.852 1.00 1.00 C ATOM 1487 C LEU A 93 2.110 28.239 10.018 1.00 1.00 C ATOM 1488 O LEU A 93 3.010 28.862 9.458 1.00 1.00 O ATOM 1489 CB LEU A 93 1.289 26.292 8.568 1.00 1.00 C ATOM 1490 CG LEU A 93 2.191 25.793 7.437 1.00 1.00 C ATOM 1491 CD1 LEU A 93 1.433 24.837 6.513 1.00 1.00 C ATOM 1492 CD2 LEU A 93 2.806 26.964 6.668 1.00 1.00 C ATOM 0 H LEU A 93 1.804 25.345 11.413 1.00 1.00 H new ATOM 0 HA LEU A 93 3.017 26.335 9.769 1.00 1.00 H new ATOM 0 HB2 LEU A 93 0.579 25.502 8.816 1.00 1.00 H new ATOM 0 HB3 LEU A 93 0.709 27.137 8.198 1.00 1.00 H new ATOM 0 HG LEU A 93 3.013 25.231 7.879 1.00 1.00 H new ATOM 0 HD11 LEU A 93 2.096 24.497 5.718 1.00 1.00 H new ATOM 0 HD12 LEU A 93 1.083 23.978 7.086 1.00 1.00 H new ATOM 0 HD13 LEU A 93 0.579 25.354 6.076 1.00 1.00 H new ATOM 0 HD21 LEU A 93 3.442 26.581 5.870 1.00 1.00 H new ATOM 0 HD22 LEU A 93 2.012 27.574 6.238 1.00 1.00 H new ATOM 0 HD23 LEU A 93 3.403 27.572 7.348 1.00 1.00 H new TER 1504 LEU A 93