USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 576 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 98 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 86 MET CE :methyl -154:sc= -5.32! (180deg=-6.6!) USER MOD Set 2.2: A 90 TYR OH : rot 170:sc= 1.46 USER MOD Set 3.1: A 68 HIS : no HE2:sc= -1.95! C(o=-3.4!,f=-5.8!) USER MOD Set 3.2: A 69 THR OG1 : rot 180:sc= -0.132 USER MOD Set 3.3: A 89 ASN : amide:sc= -1.34! K(o=-3.4!,f=-4.7) USER MOD Set 4.1: A 65 ASN : amide:sc= 0.239 K(o=0.5,f=-0.59) USER MOD Set 4.2: A 71 THR OG1 : rot -139:sc= 0.259 USER MOD Set 5.1: A 38 ASN : amide:sc= -0.0391 X(o=-0.36,f=-0.72) USER MOD Set 5.2: A 57 SER OG : rot -150:sc= -0.317 USER MOD Single : A 4 ASN : amide:sc= -0.0176 K(o=-0.018,f=-1.2) USER MOD Single : A 7 ASN : amide:sc= -3.69! C(o=-3.7!,f=-2!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.879 K(o=0.88,f=-7.7!) USER MOD Single : A 29 HIS : no HD1:sc= -0.264 X(o=-0.26,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 86:sc= -0.159 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -3.92! K(o=-3.9!,f=-0.72) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.392 K(o=-0.39,f=-4.4!) USER MOD Single : A 45 ASN : amide:sc= -5.05! C(o=-5.1!,f=-7.4!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 9:sc= 0.872 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0.975 (180deg=0.975) USER MOD Single : A 62 THR OG1 : rot 45:sc= 0.149 USER MOD Single : A 73 SER OG : rot -158:sc= 0.207 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 50:sc=-0.00229 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -2.96! K(o=-3!,f=-4.1) USER MOD Single : A 95 SER OG : rot 156:sc= 1.05 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 3 11.566 -3.997 -1.164 1.00 0.00 N ATOM 34 CA CYS A 3 10.523 -4.756 -0.502 1.00 0.00 C ATOM 35 C CYS A 3 9.777 -5.619 -1.519 1.00 0.00 C ATOM 36 O CYS A 3 9.867 -6.846 -1.477 1.00 0.00 O ATOM 37 CB CYS A 3 9.570 -3.809 0.219 1.00 0.00 C ATOM 38 SG CYS A 3 10.383 -2.711 1.428 1.00 0.00 S ATOM 0 HA CYS A 3 10.972 -5.418 0.239 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.054 -3.198 -0.521 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.810 -4.397 0.733 1.00 0.00 H new ATOM 42 N ASN A 4 9.057 -4.968 -2.438 1.00 0.00 N ATOM 43 CA ASN A 4 8.309 -5.662 -3.491 1.00 0.00 C ATOM 44 C ASN A 4 7.378 -6.726 -2.922 1.00 0.00 C ATOM 45 O ASN A 4 7.587 -7.920 -3.137 1.00 0.00 O ATOM 46 CB ASN A 4 9.270 -6.301 -4.501 1.00 0.00 C ATOM 47 CG ASN A 4 10.089 -5.279 -5.263 1.00 0.00 C ATOM 48 OD1 ASN A 4 9.621 -4.179 -5.546 1.00 0.00 O ATOM 49 ND2 ASN A 4 11.317 -5.638 -5.603 1.00 0.00 N ATOM 0 H ASN A 4 8.976 -3.952 -2.473 1.00 0.00 H new ATOM 0 HA ASN A 4 7.696 -4.915 -3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.942 -6.980 -3.976 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.699 -6.902 -5.208 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.913 -4.991 -6.120 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.667 -6.561 -5.348 1.00 0.00 H new ATOM 55 N PHE A 5 6.338 -6.291 -2.214 1.00 0.00 N ATOM 56 CA PHE A 5 5.381 -7.218 -1.611 1.00 0.00 C ATOM 57 C PHE A 5 4.793 -8.166 -2.662 1.00 0.00 C ATOM 58 O PHE A 5 4.758 -9.378 -2.475 1.00 0.00 O ATOM 59 CB PHE A 5 4.256 -6.456 -0.888 1.00 0.00 C ATOM 60 CG PHE A 5 3.227 -5.828 -1.791 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.538 -4.723 -2.568 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.943 -6.349 -1.857 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.590 -4.154 -3.394 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.992 -5.783 -2.681 1.00 0.00 C ATOM 65 CZ PHE A 5 1.316 -4.683 -3.450 1.00 0.00 C ATOM 0 H PHE A 5 6.136 -5.306 -2.044 1.00 0.00 H new ATOM 0 HA PHE A 5 5.920 -7.815 -0.876 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.750 -7.143 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.704 -5.674 -0.274 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.532 -4.303 -2.527 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.685 -7.208 -1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.845 -3.295 -3.997 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.004 -6.199 -2.724 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.573 -4.237 -4.095 1.00 0.00 H new ATOM 74 N ALA A 6 4.397 -7.596 -3.791 1.00 0.00 N ATOM 75 CA ALA A 6 3.779 -8.338 -4.885 1.00 0.00 C ATOM 76 C ALA A 6 4.673 -9.437 -5.462 1.00 0.00 C ATOM 77 O ALA A 6 4.178 -10.385 -6.065 1.00 0.00 O ATOM 78 CB ALA A 6 3.389 -7.367 -5.978 1.00 0.00 C ATOM 0 H ALA A 6 4.495 -6.598 -3.977 1.00 0.00 H new ATOM 0 HA ALA A 6 2.903 -8.842 -4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.926 -7.912 -6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.682 -6.638 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.278 -6.850 -6.340 1.00 0.00 H new ATOM 84 N ASN A 7 5.979 -9.322 -5.269 1.00 0.00 N ATOM 85 CA ASN A 7 6.911 -10.311 -5.810 1.00 0.00 C ATOM 86 C ASN A 7 6.724 -11.677 -5.155 1.00 0.00 C ATOM 87 O ASN A 7 7.124 -12.699 -5.712 1.00 0.00 O ATOM 88 CB ASN A 7 8.360 -9.844 -5.650 1.00 0.00 C ATOM 89 CG ASN A 7 8.769 -8.800 -6.680 1.00 0.00 C ATOM 90 OD1 ASN A 7 9.937 -8.706 -7.053 1.00 0.00 O ATOM 91 ND2 ASN A 7 7.816 -8.008 -7.155 1.00 0.00 N ATOM 0 H ASN A 7 6.418 -8.563 -4.748 1.00 0.00 H new ATOM 0 HA ASN A 7 6.691 -10.413 -6.873 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.494 -9.431 -4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.024 -10.705 -5.731 1.00 0.00 H new ATOM 0 HD21 ASN A 7 8.043 -7.296 -7.850 1.00 0.00 H new ATOM 0 HD22 ASN A 7 6.856 -8.111 -6.826 1.00 0.00 H new ATOM 97 N SER A 8 6.114 -11.700 -3.978 1.00 0.00 N ATOM 98 CA SER A 8 5.876 -12.952 -3.274 1.00 0.00 C ATOM 99 C SER A 8 4.457 -12.999 -2.707 1.00 0.00 C ATOM 100 O SER A 8 4.186 -13.709 -1.736 1.00 0.00 O ATOM 101 CB SER A 8 6.906 -13.127 -2.157 1.00 0.00 C ATOM 102 OG SER A 8 8.226 -13.113 -2.679 1.00 0.00 O ATOM 0 H SER A 8 5.776 -10.869 -3.492 1.00 0.00 H new ATOM 0 HA SER A 8 5.981 -13.773 -3.983 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.792 -12.329 -1.423 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.727 -14.067 -1.635 1.00 0.00 H new ATOM 0 HG SER A 8 8.868 -13.225 -1.947 1.00 0.00 H new ATOM 107 N CYS A 9 3.558 -12.249 -3.328 1.00 0.00 N ATOM 108 CA CYS A 9 2.170 -12.193 -2.900 1.00 0.00 C ATOM 109 C CYS A 9 1.245 -12.317 -4.107 1.00 0.00 C ATOM 110 O CYS A 9 1.448 -11.647 -5.121 1.00 0.00 O ATOM 111 CB CYS A 9 1.909 -10.874 -2.167 1.00 0.00 C ATOM 112 SG CYS A 9 2.860 -10.669 -0.623 1.00 0.00 S ATOM 0 H CYS A 9 3.769 -11.666 -4.138 1.00 0.00 H new ATOM 0 HA CYS A 9 1.971 -13.022 -2.221 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.145 -10.047 -2.837 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.846 -10.805 -1.937 1.00 0.00 H new ATOM 116 N THR A 10 0.234 -13.172 -3.999 1.00 0.00 N ATOM 117 CA THR A 10 -0.709 -13.381 -5.088 1.00 0.00 C ATOM 118 C THR A 10 -2.145 -13.382 -4.571 1.00 0.00 C ATOM 119 O THR A 10 -2.378 -13.481 -3.363 1.00 0.00 O ATOM 120 CB THR A 10 -0.427 -14.703 -5.834 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.337 -15.791 -4.903 1.00 0.00 O ATOM 122 CG2 THR A 10 0.862 -14.612 -6.640 1.00 0.00 C ATOM 0 H THR A 10 0.048 -13.731 -3.167 1.00 0.00 H new ATOM 0 HA THR A 10 -0.581 -12.555 -5.787 1.00 0.00 H new ATOM 0 HB THR A 10 -1.254 -14.883 -6.521 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.160 -16.623 -5.389 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.036 -15.557 -7.155 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.777 -13.809 -7.373 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.696 -14.405 -5.970 1.00 0.00 H new ATOM 130 N GLY A 11 -3.099 -13.256 -5.492 1.00 0.00 N ATOM 131 CA GLY A 11 -4.505 -13.241 -5.128 1.00 0.00 C ATOM 132 C GLY A 11 -4.844 -12.091 -4.206 1.00 0.00 C ATOM 133 O GLY A 11 -5.567 -12.262 -3.221 1.00 0.00 O ATOM 0 H GLY A 11 -2.919 -13.163 -6.492 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.112 -13.172 -6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.763 -14.182 -4.642 1.00 0.00 H new ATOM 137 N VAL A 12 -4.322 -10.916 -4.530 1.00 0.00 N ATOM 138 CA VAL A 12 -4.545 -9.732 -3.719 1.00 0.00 C ATOM 139 C VAL A 12 -5.874 -9.058 -4.051 1.00 0.00 C ATOM 140 O VAL A 12 -6.280 -8.978 -5.215 1.00 0.00 O ATOM 141 CB VAL A 12 -3.390 -8.715 -3.871 1.00 0.00 C ATOM 142 CG1 VAL A 12 -2.082 -9.316 -3.379 1.00 0.00 C ATOM 143 CG2 VAL A 12 -3.254 -8.252 -5.314 1.00 0.00 C ATOM 0 H VAL A 12 -3.739 -10.759 -5.352 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.580 -10.069 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.625 -7.845 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.280 -8.586 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.179 -9.587 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.848 -10.206 -3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.434 -7.538 -5.391 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.049 -9.110 -5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.181 -7.776 -5.632 1.00 0.00 H new ATOM 153 N GLU A 13 -6.552 -8.599 -3.011 1.00 0.00 N ATOM 154 CA GLU A 13 -7.831 -7.922 -3.144 1.00 0.00 C ATOM 155 C GLU A 13 -7.809 -6.626 -2.338 1.00 0.00 C ATOM 156 O GLU A 13 -7.130 -6.544 -1.312 1.00 0.00 O ATOM 157 CB GLU A 13 -8.963 -8.834 -2.654 1.00 0.00 C ATOM 158 CG GLU A 13 -8.791 -9.296 -1.213 1.00 0.00 C ATOM 159 CD GLU A 13 -9.861 -10.274 -0.776 1.00 0.00 C ATOM 160 OE1 GLU A 13 -10.917 -9.827 -0.282 1.00 0.00 O ATOM 161 OE2 GLU A 13 -9.647 -11.498 -0.911 1.00 0.00 O ATOM 0 H GLU A 13 -6.229 -8.686 -2.047 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.006 -7.686 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.911 -8.304 -2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.021 -9.708 -3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.812 -9.762 -1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.808 -8.428 -0.554 1.00 0.00 H new ATOM 166 N LEU A 14 -8.536 -5.619 -2.806 1.00 0.00 N ATOM 167 CA LEU A 14 -8.589 -4.338 -2.119 1.00 0.00 C ATOM 168 C LEU A 14 -10.022 -3.855 -1.969 1.00 0.00 C ATOM 169 O LEU A 14 -10.717 -3.617 -2.955 1.00 0.00 O ATOM 170 CB LEU A 14 -7.752 -3.294 -2.868 1.00 0.00 C ATOM 171 CG LEU A 14 -7.788 -1.868 -2.298 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.580 -1.864 -0.789 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.728 -1.024 -2.967 1.00 0.00 C ATOM 0 H LEU A 14 -9.096 -5.666 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.172 -4.475 -1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.716 -3.632 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.092 -3.259 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.773 -1.448 -2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.611 -0.839 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.368 -2.446 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.611 -2.304 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.757 -0.013 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.746 -1.461 -2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.915 -0.988 -4.040 1.00 0.00 H new ATOM 184 N TYR A 15 -10.450 -3.726 -0.725 1.00 0.00 N ATOM 185 CA TYR A 15 -11.787 -3.256 -0.414 1.00 0.00 C ATOM 186 C TYR A 15 -11.700 -2.079 0.547 1.00 0.00 C ATOM 187 O TYR A 15 -11.313 -2.244 1.706 1.00 0.00 O ATOM 188 CB TYR A 15 -12.613 -4.384 0.207 1.00 0.00 C ATOM 189 CG TYR A 15 -13.901 -4.671 -0.529 1.00 0.00 C ATOM 190 CD1 TYR A 15 -13.908 -5.473 -1.663 1.00 0.00 C ATOM 191 CD2 TYR A 15 -15.109 -4.148 -0.086 1.00 0.00 C ATOM 192 CE1 TYR A 15 -15.082 -5.741 -2.338 1.00 0.00 C ATOM 193 CE2 TYR A 15 -16.288 -4.412 -0.755 1.00 0.00 C ATOM 194 CZ TYR A 15 -16.270 -5.211 -1.878 1.00 0.00 C ATOM 195 OH TYR A 15 -17.444 -5.483 -2.544 1.00 0.00 O ATOM 0 H TYR A 15 -9.882 -3.943 0.094 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.277 -2.934 -1.333 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.010 -5.292 0.233 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -12.845 -4.126 1.240 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -12.980 -5.894 -2.022 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -15.127 -3.525 0.796 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -15.071 -6.362 -3.221 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.219 -3.995 -0.400 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.189 -5.035 -2.091 1.00 0.00 H new ATOM 204 N GLY A 16 -12.025 -0.889 0.058 1.00 0.00 N ATOM 205 CA GLY A 16 -11.970 0.301 0.890 1.00 0.00 C ATOM 206 C GLY A 16 -10.553 0.815 1.070 1.00 0.00 C ATOM 207 O GLY A 16 -10.201 1.878 0.565 1.00 0.00 O ATOM 0 H GLY A 16 -12.327 -0.725 -0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.583 1.083 0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.400 0.079 1.867 1.00 0.00 H new ATOM 211 N TYR A 17 -9.744 0.053 1.800 1.00 0.00 N ATOM 212 CA TYR A 17 -8.350 0.404 2.062 1.00 0.00 C ATOM 213 C TYR A 17 -7.622 -0.765 2.720 1.00 0.00 C ATOM 214 O TYR A 17 -6.670 -0.580 3.485 1.00 0.00 O ATOM 215 CB TYR A 17 -8.253 1.659 2.946 1.00 0.00 C ATOM 216 CG TYR A 17 -9.116 1.625 4.196 1.00 0.00 C ATOM 217 CD1 TYR A 17 -8.734 0.898 5.319 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.311 2.334 4.254 1.00 0.00 C ATOM 219 CE1 TYR A 17 -9.516 0.877 6.459 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.096 2.320 5.390 1.00 0.00 C ATOM 221 CZ TYR A 17 -10.696 1.590 6.489 1.00 0.00 C ATOM 222 OH TYR A 17 -11.475 1.577 7.624 1.00 0.00 O ATOM 0 H TYR A 17 -10.036 -0.826 2.227 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.872 0.624 1.107 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.213 1.798 3.243 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.534 2.528 2.351 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.810 0.340 5.300 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.631 2.906 3.395 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.205 0.306 7.321 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.020 2.879 5.417 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.271 2.130 7.481 1.00 0.00 H new ATOM 231 N ILE A 18 -8.078 -1.971 2.414 1.00 0.00 N ATOM 232 CA ILE A 18 -7.497 -3.179 2.979 1.00 0.00 C ATOM 233 C ILE A 18 -6.983 -4.093 1.877 1.00 0.00 C ATOM 234 O ILE A 18 -7.762 -4.581 1.059 1.00 0.00 O ATOM 235 CB ILE A 18 -8.536 -3.951 3.815 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.346 -2.972 4.667 1.00 0.00 C ATOM 237 CG2 ILE A 18 -7.851 -4.995 4.689 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.437 -3.624 5.490 1.00 0.00 C ATOM 0 H ILE A 18 -8.854 -2.139 1.773 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.670 -2.874 3.620 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.216 -4.473 3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.668 -2.443 5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.796 -2.225 4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.601 -5.530 5.272 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.311 -5.701 4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.151 -4.502 5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.964 -2.862 6.065 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.140 -4.129 4.827 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.994 -4.351 6.171 1.00 0.00 H new ATOM 249 N LEU A 19 -5.677 -4.306 1.849 1.00 0.00 N ATOM 250 CA LEU A 19 -5.063 -5.171 0.857 1.00 0.00 C ATOM 251 C LEU A 19 -4.865 -6.540 1.466 1.00 0.00 C ATOM 252 O LEU A 19 -4.079 -6.703 2.388 1.00 0.00 O ATOM 253 CB LEU A 19 -3.709 -4.611 0.408 1.00 0.00 C ATOM 254 CG LEU A 19 -3.468 -4.606 -1.100 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.487 -6.019 -1.658 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.509 -3.748 -1.785 1.00 0.00 C ATOM 0 H LEU A 19 -5.019 -3.888 2.507 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.714 -5.232 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.618 -3.589 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.919 -5.193 0.883 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.481 -4.185 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.313 -5.988 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.705 -6.609 -1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.457 -6.475 -1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.331 -3.749 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.502 -4.149 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.445 -2.727 -1.408 1.00 0.00 H new ATOM 267 N ARG A 20 -5.567 -7.521 0.959 1.00 0.00 N ATOM 268 CA ARG A 20 -5.451 -8.860 1.488 1.00 0.00 C ATOM 269 C ARG A 20 -5.084 -9.830 0.379 1.00 0.00 C ATOM 270 O ARG A 20 -5.587 -9.723 -0.736 1.00 0.00 O ATOM 271 CB ARG A 20 -6.760 -9.266 2.162 1.00 0.00 C ATOM 272 CG ARG A 20 -6.752 -10.674 2.723 1.00 0.00 C ATOM 273 CD ARG A 20 -7.897 -11.479 2.137 1.00 0.00 C ATOM 274 NE ARG A 20 -7.981 -12.825 2.693 1.00 0.00 N ATOM 275 CZ ARG A 20 -8.596 -13.834 2.081 1.00 0.00 C ATOM 276 NH1 ARG A 20 -9.190 -13.642 0.907 1.00 0.00 N ATOM 277 NH2 ARG A 20 -8.625 -15.032 2.647 1.00 0.00 N ATOM 0 H ARG A 20 -6.223 -7.421 0.184 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.658 -8.886 2.235 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.974 -8.565 2.969 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.572 -9.178 1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.803 -11.159 2.494 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.840 -10.641 3.809 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.835 -10.955 2.320 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.774 -11.544 1.056 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.546 -13.002 3.598 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.175 -12.719 0.473 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.660 -14.418 0.441 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.176 -15.180 3.551 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.096 -15.806 2.179 1.00 0.00 H new ATOM 288 N GLY A 21 -4.197 -10.761 0.683 1.00 0.00 N ATOM 289 CA GLY A 21 -3.783 -11.730 -0.307 1.00 0.00 C ATOM 290 C GLY A 21 -2.992 -12.861 0.297 1.00 0.00 C ATOM 291 O GLY A 21 -2.909 -12.988 1.521 1.00 0.00 O ATOM 0 H GLY A 21 -3.756 -10.864 1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.663 -12.132 -0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.181 -11.234 -1.068 1.00 0.00 H new ATOM 295 N ASP A 22 -2.420 -13.686 -0.559 1.00 0.00 N ATOM 296 CA ASP A 22 -1.623 -14.815 -0.116 1.00 0.00 C ATOM 297 C ASP A 22 -0.151 -14.560 -0.390 1.00 0.00 C ATOM 298 O ASP A 22 0.280 -14.518 -1.542 1.00 0.00 O ATOM 299 CB ASP A 22 -2.069 -16.103 -0.811 1.00 0.00 C ATOM 300 CG ASP A 22 -3.077 -16.891 0.001 1.00 0.00 C ATOM 301 OD1 ASP A 22 -2.695 -17.451 1.044 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.261 -16.959 -0.403 1.00 0.00 O ATOM 0 H ASP A 22 -2.493 -13.595 -1.572 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.770 -14.934 0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.503 -15.856 -1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.196 -16.727 -1.003 1.00 0.00 H new ATOM 306 N CYS A 23 0.617 -14.375 0.667 1.00 0.00 N ATOM 307 CA CYS A 23 2.038 -14.127 0.532 1.00 0.00 C ATOM 308 C CYS A 23 2.818 -15.355 0.973 1.00 0.00 C ATOM 309 O CYS A 23 2.570 -15.905 2.043 1.00 0.00 O ATOM 310 CB CYS A 23 2.424 -12.911 1.364 1.00 0.00 C ATOM 311 SG CYS A 23 1.623 -11.368 0.823 1.00 0.00 S ATOM 0 H CYS A 23 0.279 -14.392 1.629 1.00 0.00 H new ATOM 0 HA CYS A 23 2.279 -13.924 -0.512 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.165 -13.098 2.406 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.506 -12.782 1.322 1.00 0.00 H new ATOM 315 N ILE A 24 3.775 -15.764 0.161 1.00 0.00 N ATOM 316 CA ILE A 24 4.569 -16.953 0.440 1.00 0.00 C ATOM 317 C ILE A 24 5.510 -16.738 1.623 1.00 0.00 C ATOM 318 O ILE A 24 6.062 -15.652 1.802 1.00 0.00 O ATOM 319 CB ILE A 24 5.377 -17.370 -0.808 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.430 -17.549 -1.999 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.159 -18.647 -0.550 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.114 -18.006 -3.267 1.00 0.00 C ATOM 0 H ILE A 24 4.025 -15.287 -0.705 1.00 0.00 H new ATOM 0 HA ILE A 24 3.877 -17.753 0.702 1.00 0.00 H new ATOM 0 HB ILE A 24 6.095 -16.583 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.661 -18.274 -1.732 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.924 -16.603 -2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.719 -18.918 -1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.851 -18.489 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.469 -19.452 -0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.375 -18.109 -4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.864 -17.272 -3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.597 -18.968 -3.094 1.00 0.00 H new ATOM 333 N ASN A 25 5.663 -17.778 2.437 1.00 0.00 N ATOM 334 CA ASN A 25 6.534 -17.719 3.604 1.00 0.00 C ATOM 335 C ASN A 25 7.780 -18.574 3.378 1.00 0.00 C ATOM 336 O ASN A 25 7.999 -19.062 2.268 1.00 0.00 O ATOM 337 CB ASN A 25 5.781 -18.174 4.863 1.00 0.00 C ATOM 338 CG ASN A 25 5.634 -19.677 4.975 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.447 -20.340 5.610 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.605 -20.224 4.356 1.00 0.00 N ATOM 0 H ASN A 25 5.193 -18.674 2.308 1.00 0.00 H new ATOM 0 HA ASN A 25 6.848 -16.686 3.753 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.306 -17.803 5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.790 -17.720 4.867 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.464 -21.233 4.396 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.951 -19.637 3.838 1.00 0.00 H new ATOM 346 N GLU A 26 8.587 -18.761 4.421 1.00 0.00 N ATOM 347 CA GLU A 26 9.817 -19.552 4.321 1.00 0.00 C ATOM 348 C GLU A 26 9.547 -20.965 3.800 1.00 0.00 C ATOM 349 O GLU A 26 10.367 -21.541 3.088 1.00 0.00 O ATOM 350 CB GLU A 26 10.507 -19.643 5.686 1.00 0.00 C ATOM 351 CG GLU A 26 9.642 -20.281 6.763 1.00 0.00 C ATOM 352 CD GLU A 26 10.402 -20.553 8.044 1.00 0.00 C ATOM 353 OE1 GLU A 26 11.042 -21.621 8.146 1.00 0.00 O ATOM 354 OE2 GLU A 26 10.357 -19.708 8.959 1.00 0.00 O ATOM 0 H GLU A 26 8.412 -18.375 5.349 1.00 0.00 H new ATOM 0 HA GLU A 26 10.467 -19.042 3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.427 -20.219 5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.793 -18.641 6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.798 -19.626 6.979 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.231 -21.217 6.385 1.00 0.00 H new ATOM 359 N ASP A 27 8.393 -21.509 4.160 1.00 0.00 N ATOM 360 CA ASP A 27 8.000 -22.857 3.756 1.00 0.00 C ATOM 361 C ASP A 27 7.821 -22.969 2.245 1.00 0.00 C ATOM 362 O ASP A 27 7.945 -24.051 1.668 1.00 0.00 O ATOM 363 CB ASP A 27 6.705 -23.247 4.463 1.00 0.00 C ATOM 364 CG ASP A 27 6.263 -24.658 4.145 1.00 0.00 C ATOM 365 OD1 ASP A 27 7.005 -25.611 4.463 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.177 -24.818 3.559 1.00 0.00 O ATOM 0 H ASP A 27 7.702 -21.032 4.739 1.00 0.00 H new ATOM 0 HA ASP A 27 8.800 -23.539 4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.841 -23.148 5.540 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.917 -22.551 4.176 1.00 0.00 H new ATOM 370 N GLY A 28 7.537 -21.849 1.604 1.00 0.00 N ATOM 371 CA GLY A 28 7.339 -21.853 0.170 1.00 0.00 C ATOM 372 C GLY A 28 5.875 -21.923 -0.189 1.00 0.00 C ATOM 373 O GLY A 28 5.512 -22.069 -1.354 1.00 0.00 O ATOM 0 H GLY A 28 7.440 -20.937 2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.777 -20.953 -0.261 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.862 -22.703 -0.268 1.00 0.00 H new ATOM 377 N HIS A 29 5.032 -21.823 0.825 1.00 0.00 N ATOM 378 CA HIS A 29 3.591 -21.861 0.633 1.00 0.00 C ATOM 379 C HIS A 29 2.987 -20.501 0.937 1.00 0.00 C ATOM 380 O HIS A 29 3.469 -19.779 1.816 1.00 0.00 O ATOM 381 CB HIS A 29 2.948 -22.924 1.528 1.00 0.00 C ATOM 382 CG HIS A 29 3.135 -24.325 1.038 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.081 -25.177 0.793 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.259 -25.031 0.769 1.00 0.00 C ATOM 385 CE1 HIS A 29 2.549 -26.346 0.399 1.00 0.00 C ATOM 386 NE2 HIS A 29 3.865 -26.282 0.374 1.00 0.00 N ATOM 0 H HIS A 29 5.323 -21.714 1.797 1.00 0.00 H new ATOM 0 HA HIS A 29 3.394 -22.119 -0.408 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.367 -22.842 2.531 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.881 -22.718 1.610 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.275 -24.675 0.851 1.00 0.00 H new ATOM 0 HE1 HIS A 29 1.954 -27.210 0.141 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.490 -27.042 0.104 1.00 0.00 H new ATOM 394 N PRO A 30 1.943 -20.124 0.191 1.00 0.00 N ATOM 395 CA PRO A 30 1.254 -18.849 0.378 1.00 0.00 C ATOM 396 C PRO A 30 0.488 -18.796 1.699 1.00 0.00 C ATOM 397 O PRO A 30 -0.218 -19.738 2.066 1.00 0.00 O ATOM 398 CB PRO A 30 0.294 -18.778 -0.811 1.00 0.00 C ATOM 399 CG PRO A 30 0.080 -20.193 -1.220 1.00 0.00 C ATOM 400 CD PRO A 30 1.364 -20.909 -0.915 1.00 0.00 C ATOM 0 HA PRO A 30 1.950 -18.011 0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.646 -18.302 -0.531 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.718 -18.192 -1.626 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.753 -20.636 -0.674 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.162 -20.261 -2.281 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.186 -21.944 -0.622 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.026 -20.932 -1.781 1.00 0.00 H new ATOM 405 N HIS A 31 0.650 -17.694 2.407 1.00 0.00 N ATOM 406 CA HIS A 31 0.000 -17.477 3.687 1.00 0.00 C ATOM 407 C HIS A 31 -0.924 -16.266 3.587 1.00 0.00 C ATOM 408 O HIS A 31 -0.528 -15.222 3.068 1.00 0.00 O ATOM 409 CB HIS A 31 1.060 -17.258 4.776 1.00 0.00 C ATOM 410 CG HIS A 31 0.504 -17.089 6.161 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.368 -18.132 7.051 1.00 0.00 N ATOM 412 CD2 HIS A 31 0.063 -15.985 6.810 1.00 0.00 C ATOM 413 CE1 HIS A 31 -0.137 -17.676 8.184 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.330 -16.377 8.063 1.00 0.00 N ATOM 0 H HIS A 31 1.241 -16.918 2.108 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.593 -18.352 3.952 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.745 -18.106 4.774 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.646 -16.374 4.523 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.028 -14.981 6.413 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.355 -18.267 9.061 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.710 -15.764 8.784 1.00 0.00 H new ATOM 422 N ALA A 32 -2.144 -16.411 4.084 1.00 0.00 N ATOM 423 CA ALA A 32 -3.123 -15.333 4.036 1.00 0.00 C ATOM 424 C ALA A 32 -2.726 -14.185 4.953 1.00 0.00 C ATOM 425 O ALA A 32 -2.526 -14.372 6.152 1.00 0.00 O ATOM 426 CB ALA A 32 -4.504 -15.855 4.403 1.00 0.00 C ATOM 0 H ALA A 32 -2.481 -17.266 4.526 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.152 -14.950 3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.224 -15.038 4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.798 -16.633 3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.481 -16.269 5.411 1.00 0.00 H new ATOM 432 N THR A 33 -2.602 -13.001 4.377 1.00 0.00 N ATOM 433 CA THR A 33 -2.231 -11.816 5.128 1.00 0.00 C ATOM 434 C THR A 33 -3.002 -10.606 4.609 1.00 0.00 C ATOM 435 O THR A 33 -3.514 -10.617 3.486 1.00 0.00 O ATOM 436 CB THR A 33 -0.713 -11.548 5.025 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.331 -10.501 5.925 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.336 -11.167 3.601 1.00 0.00 C ATOM 0 H THR A 33 -2.755 -12.836 3.382 1.00 0.00 H new ATOM 0 HA THR A 33 -2.482 -11.986 6.175 1.00 0.00 H new ATOM 0 HB THR A 33 -0.184 -12.461 5.297 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.158 -10.879 6.812 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.737 -10.982 3.546 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.599 -11.981 2.925 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.875 -10.265 3.311 1.00 0.00 H new ATOM 446 N SER A 34 -3.102 -9.580 5.434 1.00 0.00 N ATOM 447 CA SER A 34 -3.802 -8.370 5.057 1.00 0.00 C ATOM 448 C SER A 34 -3.067 -7.136 5.561 1.00 0.00 C ATOM 449 O SER A 34 -2.445 -7.159 6.626 1.00 0.00 O ATOM 450 CB SER A 34 -5.227 -8.398 5.592 1.00 0.00 C ATOM 451 OG SER A 34 -5.260 -8.657 6.988 1.00 0.00 O ATOM 0 H SER A 34 -2.705 -9.563 6.373 1.00 0.00 H new ATOM 0 HA SER A 34 -3.837 -8.320 3.969 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.711 -7.443 5.388 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.798 -9.164 5.066 1.00 0.00 H new ATOM 0 HG SER A 34 -6.190 -8.666 7.297 1.00 0.00 H new ATOM 456 N ILE A 35 -3.134 -6.066 4.785 1.00 0.00 N ATOM 457 CA ILE A 35 -2.477 -4.823 5.141 1.00 0.00 C ATOM 458 C ILE A 35 -3.439 -3.651 4.982 1.00 0.00 C ATOM 459 O ILE A 35 -4.287 -3.650 4.091 1.00 0.00 O ATOM 460 CB ILE A 35 -1.234 -4.530 4.258 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.373 -5.776 4.052 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.393 -3.420 4.866 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.741 -6.583 2.823 1.00 0.00 C ATOM 0 H ILE A 35 -3.640 -6.036 3.900 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.157 -4.936 6.177 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.603 -4.211 3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.672 -5.475 3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.458 -6.414 4.932 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.473 -3.230 4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.991 -2.512 4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.057 -3.720 5.858 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.085 -7.450 2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.776 -6.917 2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.628 -5.963 1.933 1.00 0.00 H new ATOM 474 N ASN A 36 -3.306 -2.655 5.839 1.00 0.00 N ATOM 475 CA ASN A 36 -4.148 -1.474 5.757 1.00 0.00 C ATOM 476 C ASN A 36 -3.380 -0.330 5.121 1.00 0.00 C ATOM 477 O ASN A 36 -2.646 0.392 5.794 1.00 0.00 O ATOM 478 CB ASN A 36 -4.672 -1.068 7.135 1.00 0.00 C ATOM 479 CG ASN A 36 -5.881 -1.881 7.551 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.108 -2.120 8.736 1.00 0.00 O ATOM 481 ND2 ASN A 36 -6.675 -2.294 6.577 1.00 0.00 N ATOM 0 H ASN A 36 -2.625 -2.639 6.598 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.009 -1.713 5.133 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.881 -1.193 7.874 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.934 -0.010 7.125 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.513 -2.833 6.796 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.449 -2.074 5.607 1.00 0.00 H new ATOM 487 N LEU A 37 -3.575 -0.166 3.815 1.00 0.00 N ATOM 488 CA LEU A 37 -2.897 0.878 3.046 1.00 0.00 C ATOM 489 C LEU A 37 -3.235 2.249 3.606 1.00 0.00 C ATOM 490 O LEU A 37 -2.461 3.195 3.480 1.00 0.00 O ATOM 491 CB LEU A 37 -3.308 0.850 1.562 1.00 0.00 C ATOM 492 CG LEU A 37 -3.182 -0.485 0.818 1.00 0.00 C ATOM 493 CD1 LEU A 37 -1.891 -1.205 1.186 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.400 -1.358 1.080 1.00 0.00 C ATOM 0 H LEU A 37 -4.203 -0.748 3.261 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.827 0.686 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.346 1.176 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.706 1.589 1.032 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.140 -0.276 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.832 -2.148 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.038 -0.580 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.878 -1.403 2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.294 -2.301 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.483 -1.555 2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.297 -0.844 0.735 1.00 0.00 H new ATOM 505 N ASN A 38 -4.400 2.332 4.232 1.00 0.00 N ATOM 506 CA ASN A 38 -4.895 3.573 4.813 1.00 0.00 C ATOM 507 C ASN A 38 -3.899 4.183 5.796 1.00 0.00 C ATOM 508 O ASN A 38 -3.852 5.394 5.958 1.00 0.00 O ATOM 509 CB ASN A 38 -6.228 3.315 5.523 1.00 0.00 C ATOM 510 CG ASN A 38 -6.842 4.568 6.124 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.524 4.953 7.246 1.00 0.00 O ATOM 512 ND2 ASN A 38 -7.752 5.194 5.392 1.00 0.00 N ATOM 0 H ASN A 38 -5.031 1.539 4.352 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.035 4.285 4.000 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.931 2.879 4.813 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.075 2.579 6.313 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.215 6.026 5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.989 4.843 4.464 1.00 0.00 H new ATOM 518 N TYR A 39 -3.095 3.350 6.435 1.00 0.00 N ATOM 519 CA TYR A 39 -2.136 3.842 7.416 1.00 0.00 C ATOM 520 C TYR A 39 -0.713 3.880 6.870 1.00 0.00 C ATOM 521 O TYR A 39 0.227 4.164 7.613 1.00 0.00 O ATOM 522 CB TYR A 39 -2.181 2.973 8.672 1.00 0.00 C ATOM 523 CG TYR A 39 -3.553 2.883 9.298 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.030 3.890 10.126 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.373 1.790 9.055 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.286 3.807 10.697 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.629 1.699 9.622 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.081 2.710 10.441 1.00 0.00 C ATOM 529 OH TYR A 39 -7.333 2.623 11.007 1.00 0.00 O ATOM 0 H TYR A 39 -3.085 2.340 6.296 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.422 4.865 7.659 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.839 1.969 8.421 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.482 3.374 9.406 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.410 4.751 10.327 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.023 0.997 8.411 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.643 4.598 11.341 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.253 0.840 9.424 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.762 1.789 10.725 1.00 0.00 H new ATOM 538 N TYR A 40 -0.538 3.596 5.585 1.00 0.00 N ATOM 539 CA TYR A 40 0.800 3.600 5.003 1.00 0.00 C ATOM 540 C TYR A 40 0.898 4.513 3.788 1.00 0.00 C ATOM 541 O TYR A 40 1.991 4.938 3.416 1.00 0.00 O ATOM 542 CB TYR A 40 1.226 2.177 4.638 1.00 0.00 C ATOM 543 CG TYR A 40 1.259 1.249 5.831 1.00 0.00 C ATOM 544 CD1 TYR A 40 2.117 1.490 6.896 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.418 0.146 5.904 1.00 0.00 C ATOM 546 CE1 TYR A 40 2.140 0.660 7.997 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.431 -0.687 7.006 1.00 0.00 C ATOM 548 CZ TYR A 40 1.294 -0.426 8.048 1.00 0.00 C ATOM 549 OH TYR A 40 1.310 -1.253 9.149 1.00 0.00 O ATOM 0 H TYR A 40 -1.290 3.364 4.936 1.00 0.00 H new ATOM 0 HA TYR A 40 1.480 3.995 5.758 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.539 1.777 3.892 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.214 2.205 4.179 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.778 2.343 6.861 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.256 -0.064 5.087 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.817 0.860 8.814 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.232 -1.538 7.051 1.00 0.00 H new ATOM 0 HH TYR A 40 0.654 -1.971 9.029 1.00 0.00 H new ATOM 558 N ILE A 41 -0.237 4.832 3.193 1.00 0.00 N ATOM 559 CA ILE A 41 -0.271 5.689 2.020 1.00 0.00 C ATOM 560 C ILE A 41 -1.036 6.966 2.308 1.00 0.00 C ATOM 561 O ILE A 41 -2.023 6.958 3.049 1.00 0.00 O ATOM 562 CB ILE A 41 -0.918 4.962 0.829 1.00 0.00 C ATOM 563 CG1 ILE A 41 0.056 3.939 0.254 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.371 5.947 -0.245 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.519 2.549 0.179 1.00 0.00 C ATOM 0 H ILE A 41 -1.153 4.509 3.504 1.00 0.00 H new ATOM 0 HA ILE A 41 0.759 5.940 1.766 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.806 4.441 1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.357 4.255 -0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.957 3.920 0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.824 5.400 -1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.102 6.636 0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.511 6.509 -0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.224 1.870 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.794 2.215 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.404 2.555 -0.458 1.00 0.00 H new ATOM 576 N GLY A 42 -0.568 8.063 1.730 1.00 0.00 N ATOM 577 CA GLY A 42 -1.217 9.333 1.932 1.00 0.00 C ATOM 578 C GLY A 42 -1.715 9.929 0.643 1.00 0.00 C ATOM 579 O GLY A 42 -1.485 9.379 -0.438 1.00 0.00 O ATOM 0 H GLY A 42 0.252 8.091 1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.054 9.206 2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.519 10.025 2.404 1.00 0.00 H new ATOM 583 N ASN A 43 -2.388 11.056 0.754 1.00 0.00 N ATOM 584 CA ASN A 43 -2.931 11.737 -0.407 1.00 0.00 C ATOM 585 C ASN A 43 -2.485 13.194 -0.431 1.00 0.00 C ATOM 586 O ASN A 43 -2.860 14.001 0.422 1.00 0.00 O ATOM 587 CB ASN A 43 -4.469 11.631 -0.448 1.00 0.00 C ATOM 588 CG ASN A 43 -5.168 12.240 0.760 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.653 12.223 1.879 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.356 12.784 0.537 1.00 0.00 N ATOM 0 H ASN A 43 -2.574 11.523 1.641 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.542 11.245 -1.298 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.832 12.123 -1.350 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.748 10.580 -0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.875 13.207 1.306 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.751 12.779 -0.404 1.00 0.00 H new ATOM 596 N ASP A 44 -1.665 13.523 -1.411 1.00 0.00 N ATOM 597 CA ASP A 44 -1.156 14.874 -1.564 1.00 0.00 C ATOM 598 C ASP A 44 -1.756 15.527 -2.793 1.00 0.00 C ATOM 599 O ASP A 44 -1.544 15.062 -3.914 1.00 0.00 O ATOM 600 CB ASP A 44 0.371 14.870 -1.663 1.00 0.00 C ATOM 601 CG ASP A 44 0.931 16.214 -2.093 1.00 0.00 C ATOM 602 OD1 ASP A 44 0.752 17.208 -1.355 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.562 16.279 -3.170 1.00 0.00 O ATOM 0 H ASP A 44 -1.334 12.867 -2.119 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.443 15.448 -0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.793 14.597 -0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.683 14.106 -2.375 1.00 0.00 H new ATOM 607 N ASN A 45 -2.542 16.574 -2.570 1.00 0.00 N ATOM 608 CA ASN A 45 -3.173 17.318 -3.654 1.00 0.00 C ATOM 609 C ASN A 45 -4.070 16.401 -4.479 1.00 0.00 C ATOM 610 O ASN A 45 -4.130 16.499 -5.702 1.00 0.00 O ATOM 611 CB ASN A 45 -2.089 17.953 -4.530 1.00 0.00 C ATOM 612 CG ASN A 45 -2.580 19.115 -5.368 1.00 0.00 C ATOM 613 OD1 ASN A 45 -3.459 19.866 -4.953 1.00 0.00 O ATOM 614 ND2 ASN A 45 -2.006 19.269 -6.552 1.00 0.00 N ATOM 0 H ASN A 45 -2.759 16.929 -1.639 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.798 18.107 -3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.275 18.296 -3.892 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.676 17.190 -5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.290 20.036 -7.161 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.280 18.620 -6.855 1.00 0.00 H new ATOM 620 N GLY A 46 -4.756 15.493 -3.795 1.00 0.00 N ATOM 621 CA GLY A 46 -5.652 14.574 -4.467 1.00 0.00 C ATOM 622 C GLY A 46 -4.928 13.454 -5.188 1.00 0.00 C ATOM 623 O GLY A 46 -5.528 12.727 -5.977 1.00 0.00 O ATOM 0 H GLY A 46 -4.706 15.377 -2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.336 14.144 -3.736 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.258 15.127 -5.184 1.00 0.00 H new ATOM 627 N ARG A 47 -3.643 13.310 -4.917 1.00 0.00 N ATOM 628 CA ARG A 47 -2.842 12.274 -5.547 1.00 0.00 C ATOM 629 C ARG A 47 -2.285 11.315 -4.507 1.00 0.00 C ATOM 630 O ARG A 47 -2.063 11.690 -3.359 1.00 0.00 O ATOM 631 CB ARG A 47 -1.703 12.904 -6.348 1.00 0.00 C ATOM 632 CG ARG A 47 -1.890 12.816 -7.854 1.00 0.00 C ATOM 633 CD ARG A 47 -3.183 13.476 -8.317 1.00 0.00 C ATOM 634 NE ARG A 47 -3.239 14.886 -7.938 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.404 15.888 -8.799 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.465 15.655 -10.102 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.486 17.130 -8.347 1.00 0.00 N ATOM 0 H ARG A 47 -3.130 13.900 -4.262 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.482 11.709 -6.225 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.608 13.952 -6.064 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.767 12.414 -6.078 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.044 13.291 -8.351 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.891 11.769 -8.157 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.269 13.387 -9.400 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.034 12.950 -7.886 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.146 15.118 -6.949 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.385 14.701 -10.454 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.592 16.430 -10.753 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.423 17.314 -7.346 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.612 17.903 -9.000 1.00 0.00 H new ATOM 648 N LEU A 48 -2.066 10.077 -4.922 1.00 0.00 N ATOM 649 CA LEU A 48 -1.538 9.043 -4.041 1.00 0.00 C ATOM 650 C LEU A 48 -0.042 9.225 -3.839 1.00 0.00 C ATOM 651 O LEU A 48 0.715 9.389 -4.798 1.00 0.00 O ATOM 652 CB LEU A 48 -1.838 7.650 -4.618 1.00 0.00 C ATOM 653 CG LEU A 48 -3.162 7.020 -4.177 1.00 0.00 C ATOM 654 CD1 LEU A 48 -4.333 7.911 -4.531 1.00 0.00 C ATOM 655 CD2 LEU A 48 -3.332 5.652 -4.812 1.00 0.00 C ATOM 0 H LEU A 48 -2.248 9.760 -5.874 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.027 9.131 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.834 7.719 -5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.026 6.978 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.138 6.906 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.260 7.439 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.222 8.874 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.362 8.063 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.278 5.216 -4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.330 5.752 -5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.511 5.004 -4.506 1.00 0.00 H new ATOM 666 N GLU A 49 0.368 9.224 -2.585 1.00 0.00 N ATOM 667 CA GLU A 49 1.766 9.379 -2.235 1.00 0.00 C ATOM 668 C GLU A 49 2.217 8.172 -1.428 1.00 0.00 C ATOM 669 O GLU A 49 1.505 7.752 -0.511 1.00 0.00 O ATOM 670 CB GLU A 49 1.962 10.667 -1.435 1.00 0.00 C ATOM 671 CG GLU A 49 3.415 11.030 -1.191 1.00 0.00 C ATOM 672 CD GLU A 49 4.149 11.329 -2.481 1.00 0.00 C ATOM 673 OE1 GLU A 49 4.103 12.490 -2.942 1.00 0.00 O ATOM 674 OE2 GLU A 49 4.749 10.403 -3.052 1.00 0.00 O ATOM 0 H GLU A 49 -0.255 9.116 -1.785 1.00 0.00 H new ATOM 0 HA GLU A 49 2.368 9.444 -3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.478 11.488 -1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.458 10.565 -0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.466 11.899 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.912 10.210 -0.673 1.00 0.00 H new ATOM 679 N TYR A 50 3.374 7.612 -1.799 1.00 0.00 N ATOM 680 CA TYR A 50 3.931 6.435 -1.137 1.00 0.00 C ATOM 681 C TYR A 50 3.732 6.438 0.272 1.00 0.00 C ATOM 682 O TYR A 50 3.005 5.573 0.763 1.00 0.00 O ATOM 683 CB TYR A 50 5.404 6.149 -1.448 1.00 0.00 C ATOM 684 CG TYR A 50 6.138 7.173 -2.310 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.770 7.408 -3.627 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.223 7.883 -1.803 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.454 8.318 -4.413 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.908 8.799 -2.581 1.00 0.00 C ATOM 689 CZ TYR A 50 7.519 9.012 -3.883 1.00 0.00 C ATOM 690 OH TYR A 50 8.201 9.919 -4.662 1.00 0.00 O ATOM 0 H TYR A 50 3.947 7.964 -2.566 1.00 0.00 H new ATOM 0 HA TYR A 50 3.354 5.621 -1.575 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.939 6.055 -0.503 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.464 5.181 -1.945 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.933 6.870 -4.047 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.536 7.715 -0.783 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.154 8.483 -5.437 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.744 9.344 -2.168 1.00 0.00 H new ATOM 0 HH TYR A 50 8.923 10.323 -4.137 1.00 0.00 H new ATOM 699 N PRO A 51 4.300 7.300 1.012 1.00 0.00 N ATOM 700 CA PRO A 51 4.042 7.144 2.318 1.00 0.00 C ATOM 701 C PRO A 51 3.164 8.227 2.878 1.00 0.00 C ATOM 702 O PRO A 51 3.403 9.428 2.713 1.00 0.00 O ATOM 703 CB PRO A 51 5.419 7.135 2.835 1.00 0.00 C ATOM 704 CG PRO A 51 6.108 8.220 2.043 1.00 0.00 C ATOM 705 CD PRO A 51 5.311 8.328 0.763 1.00 0.00 C ATOM 0 HA PRO A 51 3.463 6.260 2.584 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.446 7.342 3.905 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.896 6.166 2.686 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.113 9.165 2.587 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.148 7.963 1.841 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.875 9.317 0.625 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.912 8.118 -0.122 1.00 0.00 H new ATOM 710 N GLY A 52 2.153 7.791 3.537 1.00 0.00 N ATOM 711 CA GLY A 52 1.213 8.713 4.087 1.00 0.00 C ATOM 712 C GLY A 52 0.327 8.106 5.141 1.00 0.00 C ATOM 713 O GLY A 52 0.621 7.032 5.665 1.00 0.00 O ATOM 0 H GLY A 52 1.951 6.807 3.711 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.752 9.557 4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.591 9.109 3.284 1.00 0.00 H new ATOM 717 N GLU A 53 -0.772 8.790 5.426 1.00 0.00 N ATOM 718 CA GLU A 53 -1.727 8.344 6.426 1.00 0.00 C ATOM 719 C GLU A 53 -3.133 8.822 6.081 1.00 0.00 C ATOM 720 O GLU A 53 -3.319 9.930 5.575 1.00 0.00 O ATOM 721 CB GLU A 53 -1.342 8.856 7.821 1.00 0.00 C ATOM 722 CG GLU A 53 -0.102 8.199 8.406 1.00 0.00 C ATOM 723 CD GLU A 53 0.314 8.810 9.726 1.00 0.00 C ATOM 724 OE1 GLU A 53 -0.343 8.524 10.749 1.00 0.00 O ATOM 725 OE2 GLU A 53 1.299 9.581 9.744 1.00 0.00 O ATOM 0 H GLU A 53 -1.025 9.667 4.971 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.711 7.254 6.433 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.179 9.932 7.768 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.180 8.694 8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.291 7.135 8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.720 8.285 7.695 1.00 0.00 H new ATOM 730 N SER A 54 -4.103 7.963 6.363 1.00 0.00 N ATOM 731 CA SER A 54 -5.519 8.217 6.146 1.00 0.00 C ATOM 732 C SER A 54 -5.844 8.711 4.731 1.00 0.00 C ATOM 733 O SER A 54 -6.551 9.707 4.562 1.00 0.00 O ATOM 734 CB SER A 54 -6.048 9.192 7.204 1.00 0.00 C ATOM 735 OG SER A 54 -5.395 10.454 7.153 1.00 0.00 O ATOM 0 H SER A 54 -3.920 7.042 6.761 1.00 0.00 H new ATOM 0 HA SER A 54 -6.028 7.259 6.248 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.119 9.334 7.060 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.915 8.757 8.194 1.00 0.00 H new ATOM 0 HG SER A 54 -4.832 10.499 6.352 1.00 0.00 H new ATOM 740 N PHE A 55 -5.338 8.026 3.706 1.00 0.00 N ATOM 741 CA PHE A 55 -5.650 8.424 2.338 1.00 0.00 C ATOM 742 C PHE A 55 -7.096 8.025 2.018 1.00 0.00 C ATOM 743 O PHE A 55 -7.876 8.830 1.525 1.00 0.00 O ATOM 744 CB PHE A 55 -4.671 7.805 1.316 1.00 0.00 C ATOM 745 CG PHE A 55 -4.976 6.388 0.918 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.639 5.331 1.742 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.603 6.119 -0.288 1.00 0.00 C ATOM 748 CE1 PHE A 55 -4.924 4.030 1.372 1.00 0.00 C ATOM 749 CE2 PHE A 55 -5.890 4.823 -0.663 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.549 3.777 0.168 1.00 0.00 C ATOM 0 H PHE A 55 -4.726 7.214 3.793 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.540 9.506 2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.666 8.425 0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.665 7.840 1.733 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.148 5.523 2.685 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.871 6.935 -0.943 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.658 3.212 2.025 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.381 4.628 -1.605 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.771 2.761 -0.123 1.00 0.00 H new ATOM 759 N GLY A 56 -7.466 6.805 2.416 1.00 0.00 N ATOM 760 CA GLY A 56 -8.798 6.273 2.140 1.00 0.00 C ATOM 761 C GLY A 56 -9.901 7.114 2.735 1.00 0.00 C ATOM 762 O GLY A 56 -11.056 7.029 2.323 1.00 0.00 O ATOM 0 H GLY A 56 -6.859 6.168 2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.941 6.206 1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.868 5.259 2.534 1.00 0.00 H new ATOM 766 N SER A 57 -9.533 7.928 3.700 1.00 0.00 N ATOM 767 CA SER A 57 -10.460 8.811 4.372 1.00 0.00 C ATOM 768 C SER A 57 -10.985 9.886 3.412 1.00 0.00 C ATOM 769 O SER A 57 -11.983 10.552 3.689 1.00 0.00 O ATOM 770 CB SER A 57 -9.737 9.440 5.552 1.00 0.00 C ATOM 771 OG SER A 57 -9.229 8.433 6.415 1.00 0.00 O ATOM 0 H SER A 57 -8.575 7.996 4.043 1.00 0.00 H new ATOM 0 HA SER A 57 -11.325 8.248 4.723 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.920 10.067 5.194 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.420 10.088 6.101 1.00 0.00 H new ATOM 0 HG SER A 57 -9.206 8.771 7.334 1.00 0.00 H new ATOM 776 N SER A 58 -10.301 10.054 2.284 1.00 0.00 N ATOM 777 CA SER A 58 -10.701 11.028 1.278 1.00 0.00 C ATOM 778 C SER A 58 -10.365 10.517 -0.125 1.00 0.00 C ATOM 779 O SER A 58 -10.112 11.305 -1.040 1.00 0.00 O ATOM 780 CB SER A 58 -10.011 12.372 1.536 1.00 0.00 C ATOM 781 OG SER A 58 -10.304 12.858 2.840 1.00 0.00 O ATOM 0 H SER A 58 -9.463 9.524 2.045 1.00 0.00 H new ATOM 0 HA SER A 58 -11.779 11.172 1.344 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.933 12.258 1.421 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.336 13.099 0.792 1.00 0.00 H new ATOM 0 HG SER A 58 -9.850 13.715 2.979 1.00 0.00 H new ATOM 786 N CYS A 59 -10.360 9.195 -0.285 1.00 0.00 N ATOM 787 CA CYS A 59 -10.058 8.577 -1.568 1.00 0.00 C ATOM 788 C CYS A 59 -11.073 7.482 -1.889 1.00 0.00 C ATOM 789 O CYS A 59 -11.616 6.844 -0.986 1.00 0.00 O ATOM 790 CB CYS A 59 -8.650 7.980 -1.554 1.00 0.00 C ATOM 791 SG CYS A 59 -7.326 9.165 -1.152 1.00 0.00 S ATOM 0 H CYS A 59 -10.563 8.532 0.463 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.113 9.348 -2.336 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.622 7.166 -0.830 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.445 7.544 -2.532 1.00 0.00 H new ATOM 795 N VAL A 60 -11.330 7.276 -3.175 1.00 0.00 N ATOM 796 CA VAL A 60 -12.274 6.254 -3.628 1.00 0.00 C ATOM 797 C VAL A 60 -11.712 5.488 -4.823 1.00 0.00 C ATOM 798 O VAL A 60 -10.666 5.854 -5.359 1.00 0.00 O ATOM 799 CB VAL A 60 -13.639 6.860 -4.017 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.362 7.408 -2.795 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.465 7.946 -5.066 1.00 0.00 C ATOM 0 H VAL A 60 -10.895 7.806 -3.930 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.423 5.573 -2.790 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.250 6.064 -4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.321 7.829 -3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.529 6.603 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.755 8.185 -2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.439 8.360 -5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.829 8.737 -4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.002 7.521 -5.956 1.00 0.00 H new ATOM 811 N LYS A 61 -12.422 4.436 -5.235 1.00 0.00 N ATOM 812 CA LYS A 61 -12.018 3.590 -6.364 1.00 0.00 C ATOM 813 C LYS A 61 -10.698 2.883 -6.088 1.00 0.00 C ATOM 814 O LYS A 61 -9.860 2.758 -6.975 1.00 0.00 O ATOM 815 CB LYS A 61 -11.909 4.379 -7.674 1.00 0.00 C ATOM 816 CG LYS A 61 -13.249 4.680 -8.326 1.00 0.00 C ATOM 817 CD LYS A 61 -13.683 6.112 -8.094 1.00 0.00 C ATOM 818 CE LYS A 61 -12.728 7.094 -8.757 1.00 0.00 C ATOM 819 NZ LYS A 61 -12.686 6.936 -10.239 1.00 0.00 N ATOM 0 H LYS A 61 -13.295 4.145 -4.796 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.806 2.845 -6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.392 5.319 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.293 3.816 -8.375 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.182 4.490 -9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.006 4.003 -7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.689 6.258 -8.488 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.728 6.312 -7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.030 8.112 -8.512 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.726 6.952 -8.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.022 7.627 -10.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.372 5.974 -10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.635 7.097 -10.632 1.00 0.00 H new ATOM 829 N THR A 62 -10.518 2.431 -4.856 1.00 0.00 N ATOM 830 CA THR A 62 -9.300 1.730 -4.471 1.00 0.00 C ATOM 831 C THR A 62 -9.179 0.387 -5.193 1.00 0.00 C ATOM 832 O THR A 62 -10.042 -0.482 -5.057 1.00 0.00 O ATOM 833 CB THR A 62 -9.252 1.488 -2.952 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.490 0.917 -2.510 1.00 0.00 O ATOM 835 CG2 THR A 62 -8.980 2.780 -2.199 1.00 0.00 C ATOM 0 H THR A 62 -11.200 2.537 -4.105 1.00 0.00 H new ATOM 0 HA THR A 62 -8.465 2.368 -4.760 1.00 0.00 H new ATOM 0 HB THR A 62 -8.437 0.795 -2.743 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.760 0.204 -3.126 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.952 2.578 -1.128 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.022 3.191 -2.516 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.771 3.499 -2.412 1.00 0.00 H new ATOM 843 N ALA A 63 -8.103 0.225 -5.951 1.00 0.00 N ATOM 844 CA ALA A 63 -7.850 -1.004 -6.692 1.00 0.00 C ATOM 845 C ALA A 63 -6.353 -1.197 -6.866 1.00 0.00 C ATOM 846 O ALA A 63 -5.597 -0.228 -6.810 1.00 0.00 O ATOM 847 CB ALA A 63 -8.546 -0.970 -8.045 1.00 0.00 C ATOM 0 H ALA A 63 -7.384 0.938 -6.070 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.253 -1.845 -6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.344 -1.897 -8.582 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.621 -0.862 -7.899 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.173 -0.126 -8.625 1.00 0.00 H new ATOM 853 N LEU A 64 -5.921 -2.433 -7.071 1.00 0.00 N ATOM 854 CA LEU A 64 -4.501 -2.715 -7.232 1.00 0.00 C ATOM 855 C LEU A 64 -4.178 -3.206 -8.639 1.00 0.00 C ATOM 856 O LEU A 64 -4.558 -4.309 -9.025 1.00 0.00 O ATOM 857 CB LEU A 64 -4.057 -3.756 -6.196 1.00 0.00 C ATOM 858 CG LEU A 64 -3.175 -3.227 -5.057 1.00 0.00 C ATOM 859 CD1 LEU A 64 -1.754 -3.007 -5.536 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.733 -1.931 -4.503 1.00 0.00 C ATOM 0 H LEU A 64 -6.527 -3.251 -7.130 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.955 -1.785 -7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.947 -4.211 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.515 -4.548 -6.713 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.169 -3.976 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.146 -2.632 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.340 -3.950 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.752 -2.280 -6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.092 -1.574 -3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.770 -1.183 -5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.738 -2.103 -4.118 1.00 0.00 H new ATOM 871 N ASN A 65 -3.453 -2.386 -9.390 1.00 0.00 N ATOM 872 CA ASN A 65 -3.049 -2.733 -10.744 1.00 0.00 C ATOM 873 C ASN A 65 -1.949 -3.772 -10.691 1.00 0.00 C ATOM 874 O ASN A 65 -0.876 -3.513 -10.137 1.00 0.00 O ATOM 875 CB ASN A 65 -2.545 -1.499 -11.498 1.00 0.00 C ATOM 876 CG ASN A 65 -3.666 -0.626 -12.030 1.00 0.00 C ATOM 877 OD1 ASN A 65 -4.758 -0.582 -11.468 1.00 0.00 O ATOM 878 ND2 ASN A 65 -3.398 0.078 -13.119 1.00 0.00 N ATOM 0 H ASN A 65 -3.131 -1.469 -9.080 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.916 -3.132 -11.271 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.916 -0.907 -10.834 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.917 -1.820 -12.329 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.111 0.686 -13.522 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.478 0.013 -13.555 1.00 0.00 H new ATOM 884 N ASP A 66 -2.231 -4.950 -11.241 1.00 0.00 N ATOM 885 CA ASP A 66 -1.281 -6.063 -11.260 1.00 0.00 C ATOM 886 C ASP A 66 -0.831 -6.412 -9.845 1.00 0.00 C ATOM 887 O ASP A 66 0.246 -6.971 -9.642 1.00 0.00 O ATOM 888 CB ASP A 66 -0.068 -5.736 -12.133 1.00 0.00 C ATOM 889 CG ASP A 66 0.093 -6.698 -13.289 1.00 0.00 C ATOM 890 OD1 ASP A 66 0.371 -7.892 -13.047 1.00 0.00 O ATOM 891 OD2 ASP A 66 -0.046 -6.262 -14.451 1.00 0.00 O ATOM 0 H ASP A 66 -3.124 -5.162 -11.686 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.789 -6.927 -11.689 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.166 -4.722 -12.520 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.833 -5.757 -11.520 1.00 0.00 H new ATOM 895 N GLY A 67 -1.663 -6.057 -8.871 1.00 0.00 N ATOM 896 CA GLY A 67 -1.365 -6.327 -7.479 1.00 0.00 C ATOM 897 C GLY A 67 -0.081 -5.680 -6.984 1.00 0.00 C ATOM 898 O GLY A 67 0.553 -6.198 -6.072 1.00 0.00 O ATOM 0 H GLY A 67 -2.551 -5.580 -9.027 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.196 -5.977 -6.866 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.295 -7.405 -7.336 1.00 0.00 H new ATOM 902 N HIS A 68 0.310 -4.550 -7.572 1.00 0.00 N ATOM 903 CA HIS A 68 1.535 -3.868 -7.139 1.00 0.00 C ATOM 904 C HIS A 68 1.351 -2.353 -7.105 1.00 0.00 C ATOM 905 O HIS A 68 2.007 -1.660 -6.335 1.00 0.00 O ATOM 906 CB HIS A 68 2.738 -4.242 -8.026 1.00 0.00 C ATOM 907 CG HIS A 68 2.792 -3.551 -9.361 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.644 -2.500 -9.631 1.00 0.00 N ATOM 909 CD2 HIS A 68 2.118 -3.785 -10.508 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.491 -2.124 -10.887 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.569 -2.888 -11.444 1.00 0.00 N ATOM 0 H HIS A 68 -0.190 -4.093 -8.334 1.00 0.00 H new ATOM 0 HA HIS A 68 1.744 -4.209 -6.125 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.654 -4.016 -7.481 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.724 -5.319 -8.193 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.291 -2.079 -8.964 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.362 -4.541 -10.661 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.029 -1.326 -11.377 1.00 0.00 H new ATOM 919 N THR A 69 0.464 -1.847 -7.940 1.00 0.00 N ATOM 920 CA THR A 69 0.203 -0.424 -7.998 1.00 0.00 C ATOM 921 C THR A 69 -1.183 -0.109 -7.457 1.00 0.00 C ATOM 922 O THR A 69 -2.166 -0.681 -7.897 1.00 0.00 O ATOM 923 CB THR A 69 0.308 0.076 -9.446 1.00 0.00 C ATOM 924 OG1 THR A 69 1.670 0.027 -9.884 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.241 1.484 -9.594 1.00 0.00 C ATOM 0 H THR A 69 -0.090 -2.405 -8.590 1.00 0.00 H new ATOM 0 HA THR A 69 0.948 0.082 -7.383 1.00 0.00 H new ATOM 0 HB THR A 69 -0.296 -0.581 -10.071 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.728 0.346 -10.809 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.149 1.803 -10.632 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.291 1.498 -9.301 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.323 2.163 -8.955 1.00 0.00 H new ATOM 933 N LEU A 70 -1.258 0.789 -6.499 1.00 0.00 N ATOM 934 CA LEU A 70 -2.544 1.171 -5.937 1.00 0.00 C ATOM 935 C LEU A 70 -3.119 2.343 -6.708 1.00 0.00 C ATOM 936 O LEU A 70 -2.447 3.344 -6.923 1.00 0.00 O ATOM 937 CB LEU A 70 -2.421 1.520 -4.450 1.00 0.00 C ATOM 938 CG LEU A 70 -3.602 2.289 -3.837 1.00 0.00 C ATOM 939 CD1 LEU A 70 -4.897 1.493 -3.936 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.308 2.632 -2.387 1.00 0.00 C ATOM 0 H LEU A 70 -0.454 1.267 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.219 0.320 -6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.286 0.594 -3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.516 2.112 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.731 3.211 -4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.711 2.066 -3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.122 1.293 -4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.786 0.549 -3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.152 3.177 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.148 1.714 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.413 3.252 -2.334 1.00 0.00 H new ATOM 951 N THR A 71 -4.348 2.192 -7.145 1.00 0.00 N ATOM 952 CA THR A 71 -5.029 3.236 -7.877 1.00 0.00 C ATOM 953 C THR A 71 -6.242 3.701 -7.105 1.00 0.00 C ATOM 954 O THR A 71 -7.038 2.886 -6.639 1.00 0.00 O ATOM 955 CB THR A 71 -5.466 2.768 -9.276 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.631 1.343 -9.290 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.454 3.191 -10.324 1.00 0.00 C ATOM 0 H THR A 71 -4.902 1.347 -7.004 1.00 0.00 H new ATOM 0 HA THR A 71 -4.324 4.058 -8.001 1.00 0.00 H new ATOM 0 HB THR A 71 -6.421 3.237 -9.514 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.270 0.980 -10.126 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.783 2.850 -11.306 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.367 4.277 -10.328 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.484 2.750 -10.092 1.00 0.00 H new ATOM 965 N ALA A 72 -6.351 5.005 -6.937 1.00 0.00 N ATOM 966 CA ALA A 72 -7.476 5.587 -6.229 1.00 0.00 C ATOM 967 C ALA A 72 -7.594 7.068 -6.536 1.00 0.00 C ATOM 968 O ALA A 72 -6.617 7.722 -6.895 1.00 0.00 O ATOM 969 CB ALA A 72 -7.345 5.361 -4.731 1.00 0.00 C ATOM 0 H ALA A 72 -5.672 5.684 -7.282 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.385 5.092 -6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.199 5.805 -4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.316 4.291 -4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.426 5.824 -4.372 1.00 0.00 H new ATOM 975 N SER A 73 -8.800 7.584 -6.411 1.00 0.00 N ATOM 976 CA SER A 73 -9.063 8.984 -6.662 1.00 0.00 C ATOM 977 C SER A 73 -9.187 9.711 -5.332 1.00 0.00 C ATOM 978 O SER A 73 -10.018 9.349 -4.500 1.00 0.00 O ATOM 979 CB SER A 73 -10.345 9.134 -7.476 1.00 0.00 C ATOM 980 OG SER A 73 -10.567 10.479 -7.842 1.00 0.00 O ATOM 0 H SER A 73 -9.621 7.046 -6.134 1.00 0.00 H new ATOM 0 HA SER A 73 -8.242 9.418 -7.233 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.283 8.517 -8.372 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.192 8.769 -6.895 1.00 0.00 H new ATOM 0 HG SER A 73 -11.519 10.613 -8.034 1.00 0.00 H new ATOM 985 N CYS A 74 -8.368 10.729 -5.132 1.00 0.00 N ATOM 986 CA CYS A 74 -8.378 11.468 -3.879 1.00 0.00 C ATOM 987 C CYS A 74 -8.700 12.935 -4.090 1.00 0.00 C ATOM 988 O CYS A 74 -8.440 13.497 -5.152 1.00 0.00 O ATOM 989 CB CYS A 74 -7.020 11.340 -3.203 1.00 0.00 C ATOM 990 SG CYS A 74 -6.499 9.623 -2.936 1.00 0.00 S ATOM 0 H CYS A 74 -7.690 11.063 -5.817 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.158 11.042 -3.247 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.271 11.847 -3.812 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.052 11.855 -2.243 1.00 0.00 H new ATOM 994 N LYS A 75 -9.265 13.548 -3.065 1.00 0.00 N ATOM 995 CA LYS A 75 -9.616 14.958 -3.106 1.00 0.00 C ATOM 996 C LYS A 75 -8.544 15.795 -2.412 1.00 0.00 C ATOM 997 O LYS A 75 -7.977 15.373 -1.405 1.00 0.00 O ATOM 998 CB LYS A 75 -10.994 15.173 -2.456 1.00 0.00 C ATOM 999 CG LYS A 75 -11.334 16.629 -2.174 1.00 0.00 C ATOM 1000 CD LYS A 75 -10.901 17.031 -0.772 1.00 0.00 C ATOM 1001 CE LYS A 75 -10.841 18.536 -0.610 1.00 0.00 C ATOM 1002 NZ LYS A 75 -10.482 18.919 0.781 1.00 0.00 N ATOM 0 H LYS A 75 -9.493 13.086 -2.185 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.671 15.282 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.760 14.753 -3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.032 14.616 -1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.843 17.269 -2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.407 16.783 -2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.597 16.615 -0.044 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.922 16.603 -0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.108 18.949 -1.303 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.806 18.970 -0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.449 19.956 0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.195 18.545 1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.550 18.525 1.020 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.264 16.974 -2.965 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.276 17.860 -2.374 1.00 0.00 C ATOM 1014 C GLY A 76 -6.712 18.843 -3.379 1.00 0.00 C ATOM 1015 O GLY A 76 -6.355 19.971 -3.033 1.00 0.00 O ATOM 0 H GLY A 76 -8.705 17.331 -3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.730 18.408 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.464 17.267 -1.954 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.618 18.397 -4.622 1.00 0.00 N ATOM 1020 CA ALA A 77 -6.107 19.209 -5.719 1.00 0.00 C ATOM 1021 C ALA A 77 -6.837 20.540 -5.865 1.00 0.00 C ATOM 1022 O ALA A 77 -6.212 21.567 -6.128 1.00 0.00 O ATOM 1023 CB ALA A 77 -6.193 18.431 -7.021 1.00 0.00 C ATOM 0 H ALA A 77 -6.895 17.456 -4.901 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.068 19.440 -5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.810 19.044 -7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.599 17.521 -6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.232 18.170 -7.221 1.00 0.00 H new ATOM 1029 N ASP A 78 -8.151 20.522 -5.684 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.958 21.734 -5.828 1.00 0.00 C ATOM 1031 C ASP A 78 -10.365 21.473 -5.309 1.00 0.00 C ATOM 1032 O ASP A 78 -11.354 21.742 -5.983 1.00 0.00 O ATOM 1033 CB ASP A 78 -9.002 22.158 -7.306 1.00 0.00 C ATOM 1034 CG ASP A 78 -9.598 23.538 -7.520 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -8.912 24.538 -7.222 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -10.737 23.630 -8.024 1.00 0.00 O ATOM 0 H ASP A 78 -8.682 19.687 -5.438 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.511 22.541 -5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.990 22.140 -7.712 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.584 21.428 -7.869 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.446 20.903 -4.111 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.737 20.591 -3.522 1.00 0.00 C ATOM 1042 C GLY A 79 -12.456 19.482 -4.266 1.00 0.00 C ATOM 1043 O GLY A 79 -13.609 19.166 -3.976 1.00 0.00 O ATOM 0 H GLY A 79 -9.641 20.651 -3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.598 20.297 -2.482 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.359 21.486 -3.519 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.764 18.889 -5.226 1.00 0.00 N ATOM 1048 CA GLN A 80 -12.315 17.810 -6.021 1.00 0.00 C ATOM 1049 C GLN A 80 -11.357 16.628 -6.008 1.00 0.00 C ATOM 1050 O GLN A 80 -10.206 16.759 -5.578 1.00 0.00 O ATOM 1051 CB GLN A 80 -12.558 18.270 -7.459 1.00 0.00 C ATOM 1052 CG GLN A 80 -11.284 18.526 -8.254 1.00 0.00 C ATOM 1053 CD GLN A 80 -11.568 18.894 -9.696 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -12.586 18.496 -10.259 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -10.656 19.629 -10.314 1.00 0.00 N ATOM 0 H GLN A 80 -10.808 19.143 -5.473 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.270 17.509 -5.591 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -13.150 17.515 -7.976 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -13.152 19.184 -7.441 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.719 19.329 -7.781 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.656 17.635 -8.226 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.825 19.939 -9.811 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.785 19.885 -11.293 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.832 15.489 -6.485 1.00 0.00 N ATOM 1063 CA TYR A 81 -11.028 14.277 -6.524 1.00 0.00 C ATOM 1064 C TYR A 81 -10.222 14.185 -7.821 1.00 0.00 C ATOM 1065 O TYR A 81 -10.456 14.941 -8.766 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.929 13.044 -6.359 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.998 12.906 -7.425 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.702 12.332 -8.651 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -14.298 13.347 -7.204 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.660 12.197 -9.626 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -15.269 13.213 -8.179 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.945 12.639 -9.391 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.903 12.510 -10.370 1.00 0.00 O ATOM 0 H TYR A 81 -12.777 15.378 -6.853 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.319 14.312 -5.697 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.306 12.150 -6.368 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.410 13.088 -5.382 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.698 11.984 -8.844 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.553 13.801 -6.258 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.408 11.746 -10.574 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -16.276 13.556 -7.993 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.754 12.869 -10.044 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.273 13.258 -7.850 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.415 13.038 -9.007 1.00 0.00 C ATOM 1084 C HIS A 82 -7.895 11.604 -8.991 1.00 0.00 C ATOM 1085 O HIS A 82 -7.388 11.141 -7.970 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.240 14.019 -8.996 1.00 0.00 C ATOM 1087 CG HIS A 82 -7.247 14.974 -10.146 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -6.585 14.730 -11.327 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -7.828 16.187 -10.288 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -6.755 15.748 -12.146 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -7.506 16.646 -11.539 1.00 0.00 N ATOM 0 H HIS A 82 -9.076 12.634 -7.067 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.996 13.204 -9.914 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.259 14.585 -8.065 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.307 13.456 -9.008 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -8.432 16.698 -9.553 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.349 15.832 -13.143 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -7.800 17.538 -11.936 1.00 0.00 H new ATOM 1099 N ASP A 83 -8.034 10.900 -10.108 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.584 9.510 -10.202 1.00 0.00 C ATOM 1101 C ASP A 83 -6.062 9.434 -10.202 1.00 0.00 C ATOM 1102 O ASP A 83 -5.410 9.902 -11.135 1.00 0.00 O ATOM 1103 CB ASP A 83 -8.128 8.846 -11.470 1.00 0.00 C ATOM 1104 CG ASP A 83 -9.641 8.877 -11.550 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -10.298 7.962 -11.014 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -10.183 9.819 -12.167 1.00 0.00 O ATOM 0 H ASP A 83 -8.454 11.265 -10.963 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.967 8.979 -9.331 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.713 9.348 -12.344 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.789 7.811 -11.506 1.00 0.00 H new ATOM 1110 N SER A 84 -5.501 8.839 -9.165 1.00 0.00 N ATOM 1111 CA SER A 84 -4.059 8.726 -9.039 1.00 0.00 C ATOM 1112 C SER A 84 -3.642 7.292 -8.740 1.00 0.00 C ATOM 1113 O SER A 84 -4.447 6.477 -8.292 1.00 0.00 O ATOM 1114 CB SER A 84 -3.577 9.658 -7.925 1.00 0.00 C ATOM 1115 OG SER A 84 -2.177 9.555 -7.722 1.00 0.00 O ATOM 0 H SER A 84 -6.025 8.425 -8.394 1.00 0.00 H new ATOM 0 HA SER A 84 -3.602 9.014 -9.986 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.833 10.687 -8.176 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.098 9.417 -6.998 1.00 0.00 H new ATOM 0 HG SER A 84 -1.715 9.636 -8.582 1.00 0.00 H new ATOM 1120 N SER A 85 -2.379 6.990 -8.994 1.00 0.00 N ATOM 1121 CA SER A 85 -1.847 5.663 -8.736 1.00 0.00 C ATOM 1122 C SER A 85 -0.576 5.763 -7.917 1.00 0.00 C ATOM 1123 O SER A 85 0.007 6.840 -7.786 1.00 0.00 O ATOM 1124 CB SER A 85 -1.561 4.918 -10.033 1.00 0.00 C ATOM 1125 OG SER A 85 -2.214 5.529 -11.137 1.00 0.00 O ATOM 0 H SER A 85 -1.702 7.648 -9.380 1.00 0.00 H new ATOM 0 HA SER A 85 -2.599 5.105 -8.179 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.486 4.895 -10.212 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.891 3.883 -9.940 1.00 0.00 H new ATOM 0 HG SER A 85 -2.010 5.029 -11.955 1.00 0.00 H new ATOM 1130 N MET A 86 -0.161 4.643 -7.357 1.00 0.00 N ATOM 1131 CA MET A 86 1.030 4.597 -6.545 1.00 0.00 C ATOM 1132 C MET A 86 1.655 3.207 -6.576 1.00 0.00 C ATOM 1133 O MET A 86 0.985 2.223 -6.285 1.00 0.00 O ATOM 1134 CB MET A 86 0.666 4.953 -5.110 1.00 0.00 C ATOM 1135 CG MET A 86 1.861 5.118 -4.189 1.00 0.00 C ATOM 1136 SD MET A 86 2.760 6.657 -4.491 1.00 0.00 S ATOM 1137 CE MET A 86 3.559 6.352 -6.064 1.00 0.00 C ATOM 0 H MET A 86 -0.639 3.747 -7.454 1.00 0.00 H new ATOM 0 HA MET A 86 1.753 5.310 -6.941 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.092 5.879 -5.112 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.016 4.176 -4.708 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.523 5.096 -3.153 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.537 4.274 -4.322 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.457 6.965 -6.141 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.832 5.299 -6.136 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.876 6.606 -6.874 1.00 0.00 H new ATOM 1145 N ASP A 87 2.925 3.118 -6.943 1.00 0.00 N ATOM 1146 CA ASP A 87 3.599 1.829 -6.968 1.00 0.00 C ATOM 1147 C ASP A 87 3.943 1.419 -5.543 1.00 0.00 C ATOM 1148 O ASP A 87 4.843 1.980 -4.917 1.00 0.00 O ATOM 1149 CB ASP A 87 4.865 1.867 -7.827 1.00 0.00 C ATOM 1150 CG ASP A 87 5.445 0.485 -8.051 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.679 -0.504 -7.997 1.00 0.00 O ATOM 1152 OD2 ASP A 87 6.669 0.381 -8.288 1.00 0.00 O ATOM 0 H ASP A 87 3.502 3.911 -7.224 1.00 0.00 H new ATOM 0 HA ASP A 87 2.926 1.097 -7.415 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.635 2.323 -8.790 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.611 2.499 -7.344 1.00 0.00 H new ATOM 1156 N LEU A 88 3.212 0.444 -5.037 1.00 0.00 N ATOM 1157 CA LEU A 88 3.400 -0.042 -3.678 1.00 0.00 C ATOM 1158 C LEU A 88 4.602 -0.963 -3.601 1.00 0.00 C ATOM 1159 O LEU A 88 4.994 -1.390 -2.516 1.00 0.00 O ATOM 1160 CB LEU A 88 2.156 -0.782 -3.195 1.00 0.00 C ATOM 1161 CG LEU A 88 0.819 -0.114 -3.514 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.319 -0.900 -2.884 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.808 1.327 -3.022 1.00 0.00 C ATOM 0 H LEU A 88 2.473 -0.034 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 88 3.572 0.820 -3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.156 -1.780 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.228 -0.909 -2.115 1.00 0.00 H new ATOM 0 HG LEU A 88 0.683 -0.105 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.268 -0.416 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.323 -1.916 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.184 -0.933 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.152 1.785 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.962 1.344 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.606 1.885 -3.512 1.00 0.00 H new ATOM 1174 N ASN A 89 5.157 -1.301 -4.760 1.00 0.00 N ATOM 1175 CA ASN A 89 6.339 -2.166 -4.824 1.00 0.00 C ATOM 1176 C ASN A 89 7.435 -1.678 -3.878 1.00 0.00 C ATOM 1177 O ASN A 89 8.214 -2.477 -3.361 1.00 0.00 O ATOM 1178 CB ASN A 89 6.895 -2.245 -6.252 1.00 0.00 C ATOM 1179 CG ASN A 89 6.288 -3.364 -7.085 1.00 0.00 C ATOM 1180 OD1 ASN A 89 6.084 -3.213 -8.288 1.00 0.00 O ATOM 1181 ND2 ASN A 89 6.026 -4.510 -6.469 1.00 0.00 N ATOM 0 H ASN A 89 4.811 -0.992 -5.669 1.00 0.00 H new ATOM 0 HA ASN A 89 6.022 -3.161 -4.513 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.718 -1.294 -6.754 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.975 -2.385 -6.204 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.645 -5.296 -6.995 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.206 -4.605 -5.469 1.00 0.00 H new ATOM 1187 N TYR A 90 7.475 -0.376 -3.618 1.00 0.00 N ATOM 1188 CA TYR A 90 8.485 0.168 -2.733 1.00 0.00 C ATOM 1189 C TYR A 90 7.856 0.779 -1.487 1.00 0.00 C ATOM 1190 O TYR A 90 8.463 1.623 -0.824 1.00 0.00 O ATOM 1191 CB TYR A 90 9.379 1.180 -3.463 1.00 0.00 C ATOM 1192 CG TYR A 90 8.652 2.333 -4.130 1.00 0.00 C ATOM 1193 CD1 TYR A 90 8.185 2.231 -5.438 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.470 3.540 -3.465 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.557 3.293 -6.056 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.834 4.603 -4.077 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.384 4.474 -5.375 1.00 0.00 C ATOM 1198 OH TYR A 90 6.761 5.535 -5.994 1.00 0.00 O ATOM 0 H TYR A 90 6.827 0.310 -4.004 1.00 0.00 H new ATOM 0 HA TYR A 90 9.120 -0.657 -2.410 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.094 1.589 -2.749 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.955 0.649 -4.221 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.317 1.305 -5.978 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.832 3.649 -2.453 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.203 3.196 -7.072 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.690 5.530 -3.542 1.00 0.00 H new ATOM 0 HH TYR A 90 6.576 6.236 -5.334 1.00 0.00 H new ATOM 1207 N VAL A 91 6.630 0.358 -1.177 1.00 0.00 N ATOM 1208 CA VAL A 91 5.947 0.853 0.011 1.00 0.00 C ATOM 1209 C VAL A 91 5.408 -0.310 0.860 1.00 0.00 C ATOM 1210 O VAL A 91 4.993 -0.118 2.005 1.00 0.00 O ATOM 1211 CB VAL A 91 4.829 1.883 -0.316 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.239 2.796 -1.442 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.494 1.255 -0.630 1.00 0.00 C ATOM 0 H VAL A 91 6.097 -0.316 -1.726 1.00 0.00 H new ATOM 0 HA VAL A 91 6.692 1.391 0.598 1.00 0.00 H new ATOM 0 HB VAL A 91 4.699 2.463 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.436 3.504 -1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.140 3.340 -1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.438 2.205 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.766 2.037 -0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.594 0.601 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.155 0.672 0.227 1.00 0.00 H new ATOM 1223 N VAL A 92 5.431 -1.521 0.293 1.00 0.00 N ATOM 1224 CA VAL A 92 4.978 -2.725 1.005 1.00 0.00 C ATOM 1225 C VAL A 92 5.975 -3.862 0.802 1.00 0.00 C ATOM 1226 O VAL A 92 6.561 -3.993 -0.276 1.00 0.00 O ATOM 1227 CB VAL A 92 3.602 -3.249 0.532 1.00 0.00 C ATOM 1228 CG1 VAL A 92 2.940 -4.087 1.617 1.00 0.00 C ATOM 1229 CG2 VAL A 92 2.691 -2.129 0.089 1.00 0.00 C ATOM 0 H VAL A 92 5.758 -1.695 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 92 4.897 -2.425 2.050 1.00 0.00 H new ATOM 0 HB VAL A 92 3.780 -3.884 -0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.974 -4.445 1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.576 -4.939 1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.796 -3.478 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.736 -2.543 -0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.526 -1.444 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.152 -1.591 -0.739 1.00 0.00 H new ATOM 1239 N GLY A 93 6.144 -4.694 1.824 1.00 0.00 N ATOM 1240 CA GLY A 93 7.056 -5.820 1.739 1.00 0.00 C ATOM 1241 C GLY A 93 6.474 -7.065 2.382 1.00 0.00 C ATOM 1242 O GLY A 93 5.481 -6.982 3.110 1.00 0.00 O ATOM 0 H GLY A 93 5.661 -4.607 2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.285 -6.024 0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.996 -5.564 2.227 1.00 0.00 H new ATOM 1246 N ASN A 94 7.091 -8.213 2.122 1.00 0.00 N ATOM 1247 CA ASN A 94 6.618 -9.487 2.667 1.00 0.00 C ATOM 1248 C ASN A 94 7.756 -10.272 3.308 1.00 0.00 C ATOM 1249 O ASN A 94 8.824 -10.438 2.712 1.00 0.00 O ATOM 1250 CB ASN A 94 5.980 -10.346 1.567 1.00 0.00 C ATOM 1251 CG ASN A 94 5.639 -11.753 2.047 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.246 -11.962 3.193 1.00 0.00 O ATOM 1253 ND2 ASN A 94 5.806 -12.735 1.172 1.00 0.00 N ATOM 0 H ASN A 94 7.922 -8.290 1.536 1.00 0.00 H new ATOM 0 HA ASN A 94 5.873 -9.254 3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.073 -9.858 1.210 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.662 -10.410 0.719 1.00 0.00 H new ATOM 0 HD21 ASN A 94 5.607 -13.698 1.442 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.134 -12.527 0.229 1.00 0.00 H new ATOM 1259 N SER A 95 7.509 -10.772 4.509 1.00 0.00 N ATOM 1260 CA SER A 95 8.487 -11.556 5.236 1.00 0.00 C ATOM 1261 C SER A 95 7.815 -12.716 5.950 1.00 0.00 C ATOM 1262 O SER A 95 7.018 -12.515 6.867 1.00 0.00 O ATOM 1263 CB SER A 95 9.234 -10.682 6.236 1.00 0.00 C ATOM 1264 OG SER A 95 10.310 -10.003 5.612 1.00 0.00 O ATOM 0 H SER A 95 6.626 -10.644 5.004 1.00 0.00 H new ATOM 0 HA SER A 95 9.205 -11.958 4.521 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.548 -9.958 6.675 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.612 -11.298 7.052 1.00 0.00 H new ATOM 0 HG SER A 95 10.524 -9.192 6.120 1.00 0.00 H new ATOM 1269 N TYR A 96 8.130 -13.927 5.501 1.00 0.00 N ATOM 1270 CA TYR A 96 7.580 -15.150 6.080 1.00 0.00 C ATOM 1271 C TYR A 96 6.058 -15.182 5.976 1.00 0.00 C ATOM 1272 O TYR A 96 5.371 -15.587 6.915 1.00 0.00 O ATOM 1273 CB TYR A 96 8.009 -15.304 7.542 1.00 0.00 C ATOM 1274 CG TYR A 96 9.497 -15.478 7.727 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.090 -16.717 7.545 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.304 -14.409 8.086 1.00 0.00 C ATOM 1277 CE1 TYR A 96 11.449 -16.889 7.717 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.664 -14.572 8.258 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.231 -15.814 8.072 1.00 0.00 C ATOM 1280 OH TYR A 96 13.585 -15.982 8.245 1.00 0.00 O ATOM 0 H TYR A 96 8.773 -14.089 4.726 1.00 0.00 H new ATOM 0 HA TYR A 96 7.979 -15.987 5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.683 -14.426 8.100 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.496 -16.164 7.972 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.479 -17.562 7.264 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.862 -13.435 8.233 1.00 0.00 H new ATOM 0 HE1 TYR A 96 11.896 -17.862 7.574 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.280 -13.730 8.537 1.00 0.00 H new ATOM 0 HH TYR A 96 13.992 -15.126 8.493 1.00 0.00 H new ATOM 1289 N GLY A 97 5.543 -14.778 4.820 1.00 0.00 N ATOM 1290 CA GLY A 97 4.108 -14.768 4.607 1.00 0.00 C ATOM 1291 C GLY A 97 3.389 -13.832 5.556 1.00 0.00 C ATOM 1292 O GLY A 97 2.194 -13.981 5.801 1.00 0.00 O ATOM 0 H GLY A 97 6.095 -14.457 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.898 -14.471 3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.718 -15.778 4.732 1.00 0.00 H new ATOM 1296 N TYR A 98 4.120 -12.868 6.087 1.00 0.00 N ATOM 1297 CA TYR A 98 3.567 -11.911 7.017 1.00 0.00 C ATOM 1298 C TYR A 98 3.798 -10.512 6.481 1.00 0.00 C ATOM 1299 O TYR A 98 4.878 -10.200 5.968 1.00 0.00 O ATOM 1300 CB TYR A 98 4.214 -12.085 8.391 1.00 0.00 C ATOM 1301 CG TYR A 98 3.335 -11.654 9.543 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.054 -12.172 9.688 1.00 0.00 C ATOM 1303 CD2 TYR A 98 3.785 -10.741 10.485 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.247 -11.792 10.741 1.00 0.00 C ATOM 1305 CE2 TYR A 98 2.984 -10.358 11.544 1.00 0.00 C ATOM 1306 CZ TYR A 98 1.716 -10.886 11.666 1.00 0.00 C ATOM 1307 OH TYR A 98 0.913 -10.512 12.721 1.00 0.00 O ATOM 0 H TYR A 98 5.110 -12.730 5.884 1.00 0.00 H new ATOM 0 HA TYR A 98 2.495 -12.075 7.127 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.483 -13.133 8.525 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.141 -11.512 8.420 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.684 -12.884 8.965 1.00 0.00 H new ATOM 0 HD2 TYR A 98 4.776 -10.323 10.390 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.253 -12.203 10.839 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.349 -9.649 12.272 1.00 0.00 H new ATOM 0 HH TYR A 98 1.391 -9.868 13.284 1.00 0.00 H new ATOM 1316 N MET A 99 2.784 -9.682 6.598 1.00 0.00 N ATOM 1317 CA MET A 99 2.842 -8.323 6.096 1.00 0.00 C ATOM 1318 C MET A 99 3.817 -7.448 6.883 1.00 0.00 C ATOM 1319 O MET A 99 3.762 -7.370 8.112 1.00 0.00 O ATOM 1320 CB MET A 99 1.442 -7.689 6.100 1.00 0.00 C ATOM 1321 CG MET A 99 0.864 -7.399 7.484 1.00 0.00 C ATOM 1322 SD MET A 99 0.556 -8.882 8.467 1.00 0.00 S ATOM 1323 CE MET A 99 -0.127 -8.159 9.959 1.00 0.00 C ATOM 0 H MET A 99 1.899 -9.927 7.042 1.00 0.00 H new ATOM 0 HA MET A 99 3.213 -8.380 5.073 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.481 -6.756 5.537 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.759 -8.352 5.570 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.552 -6.750 8.027 1.00 0.00 H new ATOM 0 HG3 MET A 99 -0.070 -6.849 7.370 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.370 -8.950 10.669 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.604 -7.484 10.404 1.00 0.00 H new ATOM 0 HE3 MET A 99 -1.031 -7.603 9.713 1.00 0.00 H new ATOM 1331 N GLU A 100 4.725 -6.811 6.158 1.00 0.00 N ATOM 1332 CA GLU A 100 5.686 -5.892 6.751 1.00 0.00 C ATOM 1333 C GLU A 100 5.970 -4.747 5.769 1.00 0.00 C ATOM 1334 O GLU A 100 7.052 -4.637 5.201 1.00 0.00 O ATOM 1335 CB GLU A 100 6.980 -6.607 7.167 1.00 0.00 C ATOM 1336 CG GLU A 100 7.667 -7.366 6.046 1.00 0.00 C ATOM 1337 CD GLU A 100 9.163 -7.127 6.032 1.00 0.00 C ATOM 1338 OE1 GLU A 100 9.870 -7.697 6.888 1.00 0.00 O ATOM 1339 OE2 GLU A 100 9.640 -6.355 5.179 1.00 0.00 O ATOM 0 H GLU A 100 4.816 -6.916 5.148 1.00 0.00 H new ATOM 0 HA GLU A 100 5.254 -5.480 7.663 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.675 -5.869 7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.752 -7.303 7.974 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.471 -8.433 6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.242 -7.062 5.089 1.00 0.00 H new ATOM 1344 N PRO A 101 4.966 -3.888 5.544 1.00 0.00 N ATOM 1345 CA PRO A 101 5.066 -2.746 4.628 1.00 0.00 C ATOM 1346 C PRO A 101 6.242 -1.826 4.941 1.00 0.00 C ATOM 1347 O PRO A 101 6.298 -1.201 6.002 1.00 0.00 O ATOM 1348 CB PRO A 101 3.742 -1.996 4.833 1.00 0.00 C ATOM 1349 CG PRO A 101 3.182 -2.538 6.104 1.00 0.00 C ATOM 1350 CD PRO A 101 3.649 -3.958 6.176 1.00 0.00 C ATOM 0 HA PRO A 101 5.236 -3.079 3.604 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.905 -0.920 4.901 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.061 -2.163 3.999 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.533 -1.966 6.963 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.093 -2.483 6.108 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.710 -4.314 7.204 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.979 -4.634 5.644 1.00 0.00 H new ATOM 1355 N CYS A 102 7.181 -1.766 4.014 1.00 0.00 N ATOM 1356 CA CYS A 102 8.353 -0.921 4.152 1.00 0.00 C ATOM 1357 C CYS A 102 8.430 0.044 2.980 1.00 0.00 C ATOM 1358 O CYS A 102 8.338 -0.362 1.824 1.00 0.00 O ATOM 1359 CB CYS A 102 9.622 -1.769 4.235 1.00 0.00 C ATOM 1360 SG CYS A 102 9.584 -3.279 3.206 1.00 0.00 S ATOM 0 H CYS A 102 7.153 -2.301 3.146 1.00 0.00 H new ATOM 0 HA CYS A 102 8.269 -0.349 5.076 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.473 -1.159 3.933 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.787 -2.055 5.274 1.00 0.00 H new