USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 487 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 139 HIS : no HD1:sc= -0.244 K(o=-3.3,f=-1.5) USER MOD Set 1.2: A 141 ASN : amide:sc= -3.08! K(o=-3.3!,f=-1.5) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 145 GLN : amide:sc= -8.72! C(o=-8.7!,f=-8.7!) USER MOD Single : A 147 ASN : amide:sc= 0.557 K(o=0.56,f=-0.68) USER MOD Single : A 149 TYR OH : rot -102:sc= 0.0282 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -8.7! C(o=-8.7!,f=-8.6!) USER MOD Single : A 153 LYS NZ :NH3+ 160:sc= -0.0272 (180deg=-0.292) USER MOD Single : A 158 LYS NZ :NH3+ 143:sc= -3.23! (180deg=-5.61!) USER MOD Single : A 159 GLN : amide:sc= -0.0874 X(o=-0.087,f=-0.07) USER MOD Single : A 161 LYS NZ :NH3+ -150:sc= -0.136 (180deg=-0.85) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ 156:sc= -0.143 (180deg=-0.839) USER MOD Single : A 165 SER OG : rot 180:sc= -0.558 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 ASN : amide:sc= -0.345 X(o=-0.34,f=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 MET CE :methyl 163:sc= -0.835 (180deg=-1.48!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -173:sc=-0.00831 (180deg=-0.076) USER MOD Single : A 188 THR OG1 : rot -157:sc= -0.314 USER MOD Single : A 197 ASN : amide:sc= -0.0742 K(o=-0.074,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 133 18.884 -0.381 4.979 1.00 0.00 N ATOM 2 CA GLU A 133 18.458 0.459 3.824 1.00 0.00 C ATOM 3 C GLU A 133 17.558 -0.359 2.906 1.00 0.00 C ATOM 4 O GLU A 133 17.066 0.142 1.894 1.00 0.00 O ATOM 5 CB GLU A 133 19.696 0.930 3.056 1.00 0.00 C ATOM 6 CG GLU A 133 20.603 1.730 3.993 1.00 0.00 C ATOM 7 CD GLU A 133 21.840 2.208 3.238 1.00 0.00 C ATOM 8 OE1 GLU A 133 21.736 2.409 2.040 1.00 0.00 O ATOM 9 OE2 GLU A 133 22.871 2.365 3.870 1.00 0.00 O ATOM 0 HA GLU A 133 17.906 1.327 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 133 20.236 0.073 2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 133 19.398 1.546 2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 133 20.060 2.585 4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 133 20.900 1.112 4.840 1.00 0.00 H new ATOM 18 N ALA A 134 17.344 -1.621 3.265 1.00 0.00 N ATOM 19 CA ALA A 134 16.499 -2.500 2.465 1.00 0.00 C ATOM 20 C ALA A 134 15.074 -1.960 2.398 1.00 0.00 C ATOM 21 O ALA A 134 14.753 -0.952 3.028 1.00 0.00 O ATOM 22 CB ALA A 134 16.488 -3.906 3.070 1.00 0.00 C ATOM 0 H ALA A 134 17.741 -2.055 4.098 1.00 0.00 H new ATOM 0 HA ALA A 134 16.905 -2.543 1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.855 -4.557 2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.503 -4.302 3.088 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.098 -3.861 4.087 1.00 0.00 H new ATOM 28 N CYS A 135 14.225 -2.636 1.633 1.00 0.00 N ATOM 29 CA CYS A 135 12.836 -2.215 1.492 1.00 0.00 C ATOM 30 C CYS A 135 12.144 -2.194 2.852 1.00 0.00 C ATOM 31 O CYS A 135 12.538 -2.910 3.770 1.00 0.00 O ATOM 32 CB CYS A 135 12.101 -3.161 0.539 1.00 0.00 C ATOM 33 SG CYS A 135 12.707 -2.893 -1.148 1.00 0.00 S ATOM 0 H CYS A 135 14.471 -3.473 1.104 1.00 0.00 H new ATOM 0 HA CYS A 135 12.815 -1.206 1.079 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.264 -4.197 0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 135 11.027 -2.982 0.586 1.00 0.00 H new ATOM 38 N GLN A 136 11.113 -1.356 2.974 1.00 0.00 N ATOM 39 CA GLN A 136 10.364 -1.231 4.229 1.00 0.00 C ATOM 40 C GLN A 136 8.900 -1.582 4.006 1.00 0.00 C ATOM 41 O GLN A 136 8.398 -1.493 2.888 1.00 0.00 O ATOM 42 CB GLN A 136 10.469 0.202 4.754 1.00 0.00 C ATOM 43 CG GLN A 136 11.922 0.503 5.131 1.00 0.00 C ATOM 44 CD GLN A 136 12.047 1.944 5.614 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.335 2.358 6.529 1.00 0.00 O ATOM 46 NE2 GLN A 136 12.916 2.737 5.050 1.00 0.00 N ATOM 0 H GLN A 136 10.777 -0.754 2.222 1.00 0.00 H new ATOM 0 HA GLN A 136 10.788 -1.920 4.960 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.126 0.905 3.995 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.823 0.331 5.622 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.253 -0.181 5.912 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.571 0.342 4.270 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.505 2.392 4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.007 3.702 5.367 1.00 0.00 H new ATOM 55 N PHE A 137 8.218 -1.988 5.077 1.00 0.00 N ATOM 56 CA PHE A 137 6.803 -2.360 4.989 1.00 0.00 C ATOM 57 C PHE A 137 5.931 -1.347 5.731 1.00 0.00 C ATOM 58 O PHE A 137 6.270 -0.904 6.828 1.00 0.00 O ATOM 59 CB PHE A 137 6.604 -3.761 5.588 1.00 0.00 C ATOM 60 CG PHE A 137 5.125 -4.070 5.717 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.293 -4.008 4.592 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.585 -4.415 6.966 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.931 -4.290 4.710 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.218 -4.697 7.083 1.00 0.00 C ATOM 65 CZ PHE A 137 2.391 -4.635 5.956 1.00 0.00 C ATOM 0 H PHE A 137 8.618 -2.068 6.012 1.00 0.00 H new ATOM 0 HA PHE A 137 6.505 -2.365 3.940 1.00 0.00 H new ATOM 0 HB2 PHE A 137 7.085 -4.507 4.955 1.00 0.00 H new ATOM 0 HB3 PHE A 137 7.081 -3.817 6.566 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.706 -3.741 3.631 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.223 -4.463 7.836 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.293 -4.242 3.840 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.802 -4.962 8.044 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.337 -4.853 6.047 1.00 0.00 H new ATOM 75 N SER A 138 4.803 -0.988 5.118 1.00 0.00 N ATOM 76 CA SER A 138 3.875 -0.030 5.715 1.00 0.00 C ATOM 77 C SER A 138 2.441 -0.355 5.304 1.00 0.00 C ATOM 78 O SER A 138 2.170 -0.649 4.139 1.00 0.00 O ATOM 79 CB SER A 138 4.231 1.387 5.263 1.00 0.00 C ATOM 80 OG SER A 138 3.602 2.325 6.124 1.00 0.00 O ATOM 0 H SER A 138 4.511 -1.346 4.209 1.00 0.00 H new ATOM 0 HA SER A 138 3.955 -0.095 6.800 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.312 1.526 5.282 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.907 1.545 4.234 1.00 0.00 H new ATOM 0 HG SER A 138 3.829 3.235 5.839 1.00 0.00 H new ATOM 86 N HIS A 139 1.524 -0.302 6.271 1.00 0.00 N ATOM 87 CA HIS A 139 0.108 -0.597 6.011 1.00 0.00 C ATOM 88 C HIS A 139 -0.793 0.465 6.636 1.00 0.00 C ATOM 89 O HIS A 139 -0.380 1.198 7.534 1.00 0.00 O ATOM 90 CB HIS A 139 -0.256 -1.969 6.581 1.00 0.00 C ATOM 91 CG HIS A 139 -0.157 -1.935 8.080 1.00 0.00 C ATOM 92 ND1 HIS A 139 1.012 -2.254 8.752 1.00 0.00 N ATOM 93 CD2 HIS A 139 -1.073 -1.616 9.050 1.00 0.00 C ATOM 94 CE1 HIS A 139 0.771 -2.123 10.070 1.00 0.00 C ATOM 95 NE2 HIS A 139 -0.486 -1.737 10.306 1.00 0.00 N ATOM 0 H HIS A 139 1.732 -0.059 7.239 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.044 -0.596 4.932 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.267 -2.243 6.279 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.413 -2.730 6.180 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -2.094 -1.317 8.867 1.00 0.00 H new ATOM 0 HE1 HIS A 139 1.504 -2.307 10.842 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -0.922 -1.567 11.212 1.00 0.00 H new ATOM 104 N VAL A 140 -2.029 0.537 6.145 1.00 0.00 N ATOM 105 CA VAL A 140 -3.008 1.508 6.643 1.00 0.00 C ATOM 106 C VAL A 140 -4.367 0.828 6.824 1.00 0.00 C ATOM 107 O VAL A 140 -4.980 0.388 5.853 1.00 0.00 O ATOM 108 CB VAL A 140 -3.125 2.666 5.640 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.330 3.549 5.977 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.851 3.513 5.698 1.00 0.00 C ATOM 0 H VAL A 140 -2.379 -0.066 5.401 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.681 1.897 7.607 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.258 2.253 4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.397 4.364 5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.241 2.952 5.936 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.211 3.960 6.979 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.929 4.336 4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.725 3.912 6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -0.991 2.894 5.443 1.00 0.00 H new ATOM 120 N ASN A 141 -4.830 0.732 8.074 1.00 0.00 N ATOM 121 CA ASN A 141 -6.116 0.087 8.355 1.00 0.00 C ATOM 122 C ASN A 141 -6.798 0.701 9.581 1.00 0.00 C ATOM 123 O ASN A 141 -6.219 0.745 10.667 1.00 0.00 O ATOM 124 CB ASN A 141 -5.896 -1.414 8.593 1.00 0.00 C ATOM 125 CG ASN A 141 -5.253 -1.654 9.957 1.00 0.00 C ATOM 126 OD1 ASN A 141 -4.045 -1.869 10.046 1.00 0.00 O ATOM 127 ND2 ASN A 141 -5.996 -1.634 11.029 1.00 0.00 N ATOM 0 H ASN A 141 -4.342 1.087 8.896 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.765 0.241 7.493 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.849 -1.940 8.537 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.260 -1.823 7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -5.576 -1.797 11.944 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.997 -1.455 10.952 1.00 0.00 H new ATOM 134 N SER A 142 -8.044 1.152 9.407 1.00 0.00 N ATOM 135 CA SER A 142 -8.815 1.735 10.512 1.00 0.00 C ATOM 136 C SER A 142 -10.266 1.264 10.439 1.00 0.00 C ATOM 137 O SER A 142 -10.636 0.502 9.546 1.00 0.00 O ATOM 138 CB SER A 142 -8.758 3.266 10.473 1.00 0.00 C ATOM 139 OG SER A 142 -9.035 3.776 11.771 1.00 0.00 O ATOM 0 H SER A 142 -8.540 1.125 8.516 1.00 0.00 H new ATOM 0 HA SER A 142 -8.374 1.401 11.451 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.774 3.597 10.141 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.483 3.651 9.755 1.00 0.00 H new ATOM 0 HG SER A 142 -8.998 4.755 11.752 1.00 0.00 H new ATOM 145 N ARG A 143 -11.080 1.717 11.385 1.00 0.00 N ATOM 146 CA ARG A 143 -12.487 1.328 11.418 1.00 0.00 C ATOM 147 C ARG A 143 -13.282 2.028 10.313 1.00 0.00 C ATOM 148 O ARG A 143 -14.178 1.432 9.714 1.00 0.00 O ATOM 149 CB ARG A 143 -13.090 1.678 12.784 1.00 0.00 C ATOM 150 CG ARG A 143 -12.622 0.663 13.835 1.00 0.00 C ATOM 151 CD ARG A 143 -11.091 0.604 13.861 1.00 0.00 C ATOM 152 NE ARG A 143 -10.633 0.008 15.111 1.00 0.00 N ATOM 153 CZ ARG A 143 -9.337 -0.116 15.377 1.00 0.00 C ATOM 154 NH1 ARG A 143 -8.450 0.297 14.514 1.00 0.00 N ATOM 155 NH2 ARG A 143 -8.952 -0.655 16.502 1.00 0.00 N ATOM 0 H ARG A 143 -10.795 2.348 12.134 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.545 0.252 11.253 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -12.789 2.684 13.077 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -14.178 1.676 12.723 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -13.000 0.944 14.818 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -13.028 -0.322 13.607 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -10.728 0.019 13.016 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -10.679 1.608 13.755 1.00 0.00 H new ATOM 0 HE ARG A 143 -11.319 -0.319 15.792 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -8.751 0.716 13.634 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -7.455 0.201 14.719 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -9.646 -0.980 17.175 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -7.958 -0.751 16.708 1.00 0.00 H new ATOM 169 N ASP A 144 -12.963 3.296 10.059 1.00 0.00 N ATOM 170 CA ASP A 144 -13.672 4.072 9.038 1.00 0.00 C ATOM 171 C ASP A 144 -12.969 3.997 7.683 1.00 0.00 C ATOM 172 O ASP A 144 -13.594 4.198 6.642 1.00 0.00 O ATOM 173 CB ASP A 144 -13.764 5.535 9.477 1.00 0.00 C ATOM 174 CG ASP A 144 -14.615 6.324 8.486 1.00 0.00 C ATOM 175 OD1 ASP A 144 -14.058 6.814 7.516 1.00 0.00 O ATOM 176 OD2 ASP A 144 -15.809 6.427 8.712 1.00 0.00 O ATOM 0 H ASP A 144 -12.224 3.807 10.541 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.669 3.646 8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.200 5.597 10.474 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.766 5.969 9.538 1.00 0.00 H new ATOM 181 N GLN A 145 -11.670 3.720 7.701 1.00 0.00 N ATOM 182 CA GLN A 145 -10.900 3.636 6.464 1.00 0.00 C ATOM 183 C GLN A 145 -11.473 2.559 5.536 1.00 0.00 C ATOM 184 O GLN A 145 -10.915 1.471 5.418 1.00 0.00 O ATOM 185 CB GLN A 145 -9.430 3.325 6.799 1.00 0.00 C ATOM 186 CG GLN A 145 -8.662 4.626 7.081 1.00 0.00 C ATOM 187 CD GLN A 145 -7.182 4.327 7.279 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.326 5.052 6.771 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.829 3.298 7.994 1.00 0.00 N ATOM 0 H GLN A 145 -11.131 3.551 8.550 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.960 4.593 5.945 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.379 2.668 7.668 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -8.965 2.793 5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.793 5.322 6.252 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -9.065 5.110 7.970 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.541 2.700 8.413 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.840 3.090 8.135 1.00 0.00 H new ATOM 198 N CYS A 146 -12.587 2.886 4.874 1.00 0.00 N ATOM 199 CA CYS A 146 -13.254 1.960 3.946 1.00 0.00 C ATOM 200 C CYS A 146 -13.280 2.563 2.535 1.00 0.00 C ATOM 201 O CYS A 146 -14.069 3.464 2.251 1.00 0.00 O ATOM 202 CB CYS A 146 -14.683 1.705 4.450 1.00 0.00 C ATOM 203 SG CYS A 146 -15.526 0.503 3.392 1.00 0.00 S ATOM 0 H CYS A 146 -13.050 3.790 4.963 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.710 1.016 3.902 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.653 1.337 5.475 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.242 2.641 4.464 1.00 0.00 H new ATOM 208 N ASN A 147 -12.394 2.071 1.655 1.00 0.00 N ATOM 209 CA ASN A 147 -12.298 2.578 0.275 1.00 0.00 C ATOM 210 C ASN A 147 -12.191 1.432 -0.739 1.00 0.00 C ATOM 211 O ASN A 147 -11.939 0.286 -0.371 1.00 0.00 O ATOM 212 CB ASN A 147 -11.072 3.484 0.142 1.00 0.00 C ATOM 213 CG ASN A 147 -10.980 4.416 1.345 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.447 5.554 1.287 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.401 4.001 2.439 1.00 0.00 N ATOM 0 H ASN A 147 -11.734 1.324 1.873 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.207 3.141 0.062 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.168 2.879 0.070 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.139 4.067 -0.776 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.335 4.620 3.247 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -10.015 3.058 2.485 1.00 0.00 H new ATOM 222 N ASP A 148 -12.392 1.760 -2.020 1.00 0.00 N ATOM 223 CA ASP A 148 -12.325 0.760 -3.091 1.00 0.00 C ATOM 224 C ASP A 148 -10.885 0.370 -3.417 1.00 0.00 C ATOM 225 O ASP A 148 -9.942 1.095 -3.098 1.00 0.00 O ATOM 226 CB ASP A 148 -13.015 1.291 -4.351 1.00 0.00 C ATOM 227 CG ASP A 148 -12.553 2.713 -4.649 1.00 0.00 C ATOM 228 OD1 ASP A 148 -13.183 3.633 -4.155 1.00 0.00 O ATOM 229 OD2 ASP A 148 -11.579 2.858 -5.369 1.00 0.00 O ATOM 0 H ASP A 148 -12.601 2.706 -2.339 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.841 -0.133 -2.738 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.789 0.643 -5.198 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.096 1.274 -4.216 1.00 0.00 H new ATOM 234 N TYR A 149 -10.735 -0.791 -4.051 1.00 0.00 N ATOM 235 CA TYR A 149 -9.419 -1.302 -4.426 1.00 0.00 C ATOM 236 C TYR A 149 -8.587 -0.217 -5.102 1.00 0.00 C ATOM 237 O TYR A 149 -7.500 0.127 -4.636 1.00 0.00 O ATOM 238 CB TYR A 149 -9.586 -2.485 -5.384 1.00 0.00 C ATOM 239 CG TYR A 149 -8.255 -3.169 -5.606 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.844 -4.201 -4.749 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.435 -2.776 -6.672 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.615 -4.837 -4.961 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.207 -3.415 -6.881 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.798 -4.445 -6.026 1.00 0.00 C ATOM 245 OH TYR A 149 -4.587 -5.076 -6.234 1.00 0.00 O ATOM 0 H TYR A 149 -11.511 -1.397 -4.316 1.00 0.00 H new ATOM 0 HA TYR A 149 -8.902 -1.623 -3.522 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.304 -3.195 -4.975 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -9.988 -2.138 -6.336 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.475 -4.504 -3.927 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -7.750 -1.981 -7.332 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.298 -5.631 -4.301 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.575 -3.113 -7.703 1.00 0.00 H new ATOM 0 HH TYR A 149 -3.860 -4.506 -5.907 1.00 0.00 H new ATOM 255 N GLN A 150 -9.101 0.311 -6.207 1.00 0.00 N ATOM 256 CA GLN A 150 -8.395 1.351 -6.946 1.00 0.00 C ATOM 257 C GLN A 150 -8.045 2.519 -6.032 1.00 0.00 C ATOM 258 O GLN A 150 -6.904 2.982 -6.013 1.00 0.00 O ATOM 259 CB GLN A 150 -9.260 1.847 -8.106 1.00 0.00 C ATOM 260 CG GLN A 150 -8.539 2.986 -8.838 1.00 0.00 C ATOM 261 CD GLN A 150 -9.103 3.148 -10.241 1.00 0.00 C ATOM 262 OE1 GLN A 150 -9.948 4.012 -10.481 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.680 2.361 -11.187 1.00 0.00 N ATOM 0 H GLN A 150 -9.998 0.038 -6.609 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.471 0.926 -7.338 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.463 1.029 -8.797 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.223 2.194 -7.732 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.655 3.916 -8.282 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.471 2.776 -8.890 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -7.980 1.648 -10.982 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.048 2.457 -12.133 1.00 0.00 H new ATOM 272 N HIS A 151 -9.029 2.991 -5.276 1.00 0.00 N ATOM 273 CA HIS A 151 -8.803 4.105 -4.363 1.00 0.00 C ATOM 274 C HIS A 151 -7.594 3.822 -3.480 1.00 0.00 C ATOM 275 O HIS A 151 -6.711 4.668 -3.332 1.00 0.00 O ATOM 276 CB HIS A 151 -10.045 4.334 -3.486 1.00 0.00 C ATOM 277 CG HIS A 151 -11.061 5.158 -4.236 1.00 0.00 C ATOM 278 ND1 HIS A 151 -12.114 5.794 -3.595 1.00 0.00 N ATOM 279 CD2 HIS A 151 -11.196 5.458 -5.568 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.830 6.438 -4.536 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.313 6.265 -5.756 1.00 0.00 N ATOM 0 H HIS A 151 -9.981 2.625 -5.276 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.613 5.003 -4.950 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.480 3.376 -3.201 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.761 4.842 -2.565 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -10.535 5.119 -6.352 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -13.714 7.023 -4.330 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -12.663 6.644 -6.636 1.00 0.00 H new ATOM 290 N TRP A 152 -7.558 2.633 -2.888 1.00 0.00 N ATOM 291 CA TRP A 152 -6.448 2.275 -2.020 1.00 0.00 C ATOM 292 C TRP A 152 -5.131 2.318 -2.795 1.00 0.00 C ATOM 293 O TRP A 152 -4.143 2.876 -2.327 1.00 0.00 O ATOM 294 CB TRP A 152 -6.655 0.867 -1.417 1.00 0.00 C ATOM 295 CG TRP A 152 -7.450 0.932 -0.147 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.542 0.172 0.109 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.232 1.754 1.046 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.018 0.480 1.369 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.251 1.450 1.984 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.273 2.728 1.410 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.314 2.083 3.222 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.339 3.362 2.656 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.355 3.045 3.559 1.00 0.00 C ATOM 0 H TRP A 152 -8.273 1.913 -2.992 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.407 3.000 -1.207 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.169 0.232 -2.138 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.687 0.407 -1.220 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -8.971 -0.557 -0.563 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.837 0.044 1.793 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.483 2.985 0.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.100 1.833 3.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.598 4.102 2.921 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.401 3.542 4.517 1.00 0.00 H new ATOM 314 N LYS A 153 -5.126 1.719 -3.979 1.00 0.00 N ATOM 315 CA LYS A 153 -3.926 1.686 -4.809 1.00 0.00 C ATOM 316 C LYS A 153 -3.303 3.075 -4.910 1.00 0.00 C ATOM 317 O LYS A 153 -2.081 3.219 -4.871 1.00 0.00 O ATOM 318 CB LYS A 153 -4.296 1.154 -6.208 1.00 0.00 C ATOM 319 CG LYS A 153 -3.083 0.477 -6.891 1.00 0.00 C ATOM 320 CD LYS A 153 -3.552 -0.514 -7.969 1.00 0.00 C ATOM 321 CE LYS A 153 -4.021 0.246 -9.211 1.00 0.00 C ATOM 322 NZ LYS A 153 -2.838 0.801 -9.928 1.00 0.00 N ATOM 0 H LYS A 153 -5.936 1.251 -4.386 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.190 1.024 -4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.114 0.439 -6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.654 1.975 -6.829 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.442 1.235 -7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.484 -0.045 -6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.738 -1.190 -8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.364 -1.129 -7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.579 -0.420 -9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -4.697 1.051 -8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.097 1.013 -10.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.524 1.673 -9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.066 0.104 -9.916 1.00 0.00 H new ATOM 336 N ASP A 154 -4.143 4.091 -5.035 1.00 0.00 N ATOM 337 CA ASP A 154 -3.650 5.458 -5.133 1.00 0.00 C ATOM 338 C ASP A 154 -3.191 5.963 -3.768 1.00 0.00 C ATOM 339 O ASP A 154 -2.095 6.504 -3.639 1.00 0.00 O ATOM 340 CB ASP A 154 -4.748 6.372 -5.676 1.00 0.00 C ATOM 341 CG ASP A 154 -5.056 6.013 -7.126 1.00 0.00 C ATOM 342 OD1 ASP A 154 -5.013 4.836 -7.446 1.00 0.00 O ATOM 343 OD2 ASP A 154 -5.332 6.920 -7.893 1.00 0.00 O ATOM 0 H ASP A 154 -5.158 3.998 -5.071 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.800 5.469 -5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.648 6.273 -5.069 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.432 7.413 -5.610 1.00 0.00 H new ATOM 348 N GLU A 155 -4.036 5.782 -2.756 1.00 0.00 N ATOM 349 CA GLU A 155 -3.706 6.233 -1.405 1.00 0.00 C ATOM 350 C GLU A 155 -2.398 5.606 -0.920 1.00 0.00 C ATOM 351 O GLU A 155 -1.496 6.314 -0.471 1.00 0.00 O ATOM 352 CB GLU A 155 -4.855 5.889 -0.446 1.00 0.00 C ATOM 353 CG GLU A 155 -4.426 6.120 1.017 1.00 0.00 C ATOM 354 CD GLU A 155 -5.636 6.485 1.878 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.697 5.932 1.636 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.482 7.309 2.763 1.00 0.00 O ATOM 0 H GLU A 155 -4.946 5.331 -2.843 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.570 7.314 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.725 6.503 -0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.153 4.850 -0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.951 5.221 1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.685 6.918 1.063 1.00 0.00 H new ATOM 363 N ALA A 156 -2.292 4.283 -1.012 1.00 0.00 N ATOM 364 CA ALA A 156 -1.078 3.603 -0.579 1.00 0.00 C ATOM 365 C ALA A 156 0.124 4.204 -1.295 1.00 0.00 C ATOM 366 O ALA A 156 1.217 4.290 -0.737 1.00 0.00 O ATOM 367 CB ALA A 156 -1.166 2.102 -0.885 1.00 0.00 C ATOM 0 H ALA A 156 -3.021 3.670 -1.377 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.966 3.733 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.251 1.609 -0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.019 1.673 -0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.290 1.956 -1.958 1.00 0.00 H new ATOM 373 N GLY A 157 -0.096 4.632 -2.534 1.00 0.00 N ATOM 374 CA GLY A 157 0.967 5.241 -3.321 1.00 0.00 C ATOM 375 C GLY A 157 1.413 6.559 -2.695 1.00 0.00 C ATOM 376 O GLY A 157 2.608 6.803 -2.527 1.00 0.00 O ATOM 0 H GLY A 157 -0.995 4.569 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.814 4.559 -3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.619 5.415 -4.339 1.00 0.00 H new ATOM 380 N LYS A 158 0.446 7.409 -2.351 1.00 0.00 N ATOM 381 CA LYS A 158 0.758 8.698 -1.745 1.00 0.00 C ATOM 382 C LYS A 158 1.383 8.514 -0.366 1.00 0.00 C ATOM 383 O LYS A 158 2.281 9.261 0.021 1.00 0.00 O ATOM 384 CB LYS A 158 -0.509 9.551 -1.614 1.00 0.00 C ATOM 385 CG LYS A 158 -1.285 9.563 -2.944 1.00 0.00 C ATOM 386 CD LYS A 158 -2.101 10.855 -3.068 1.00 0.00 C ATOM 387 CE LYS A 158 -3.143 10.908 -1.952 1.00 0.00 C ATOM 388 NZ LYS A 158 -2.478 11.267 -0.667 1.00 0.00 N ATOM 0 H LYS A 158 -0.550 7.229 -2.481 1.00 0.00 H new ATOM 0 HA LYS A 158 1.472 9.205 -2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -1.142 9.155 -0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.242 10.569 -1.331 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.590 9.481 -3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.948 8.699 -2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.442 11.721 -3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.592 10.896 -4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.912 11.642 -2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -3.641 9.943 -1.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -3.105 11.885 -0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -2.278 10.402 -0.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -1.587 11.766 -0.865 1.00 0.00 H new ATOM 402 N GLN A 159 0.895 7.524 0.377 1.00 0.00 N ATOM 403 CA GLN A 159 1.413 7.270 1.720 1.00 0.00 C ATOM 404 C GLN A 159 2.916 6.990 1.672 1.00 0.00 C ATOM 405 O GLN A 159 3.671 7.451 2.526 1.00 0.00 O ATOM 406 CB GLN A 159 0.668 6.079 2.363 1.00 0.00 C ATOM 407 CG GLN A 159 0.517 6.305 3.877 1.00 0.00 C ATOM 408 CD GLN A 159 -0.614 7.293 4.147 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.377 8.381 4.672 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.837 6.975 3.818 1.00 0.00 N ATOM 0 H GLN A 159 0.152 6.892 0.078 1.00 0.00 H new ATOM 0 HA GLN A 159 1.247 8.159 2.328 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.314 5.964 1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.216 5.155 2.178 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.310 5.358 4.376 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.450 6.686 4.291 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -2.030 6.073 3.383 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.599 7.629 3.996 1.00 0.00 H new ATOM 419 N CYS A 160 3.342 6.225 0.676 1.00 0.00 N ATOM 420 CA CYS A 160 4.753 5.889 0.536 1.00 0.00 C ATOM 421 C CYS A 160 5.543 7.067 -0.026 1.00 0.00 C ATOM 422 O CYS A 160 6.661 7.342 0.410 1.00 0.00 O ATOM 423 CB CYS A 160 4.901 4.688 -0.393 1.00 0.00 C ATOM 424 SG CYS A 160 6.562 3.992 -0.222 1.00 0.00 S ATOM 0 H CYS A 160 2.736 5.828 -0.042 1.00 0.00 H new ATOM 0 HA CYS A 160 5.149 5.648 1.523 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.153 3.933 -0.151 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.727 4.990 -1.426 1.00 0.00 H new ATOM 429 N LYS A 161 4.960 7.748 -1.005 1.00 0.00 N ATOM 430 CA LYS A 161 5.623 8.886 -1.632 1.00 0.00 C ATOM 431 C LYS A 161 5.862 10.007 -0.625 1.00 0.00 C ATOM 432 O LYS A 161 6.980 10.507 -0.498 1.00 0.00 O ATOM 433 CB LYS A 161 4.774 9.412 -2.791 1.00 0.00 C ATOM 434 CG LYS A 161 4.814 8.413 -3.949 1.00 0.00 C ATOM 435 CD LYS A 161 3.737 8.774 -4.973 1.00 0.00 C ATOM 436 CE LYS A 161 3.751 7.752 -6.111 1.00 0.00 C ATOM 437 NZ LYS A 161 5.134 7.631 -6.652 1.00 0.00 N ATOM 0 H LYS A 161 4.036 7.535 -1.380 1.00 0.00 H new ATOM 0 HA LYS A 161 6.589 8.548 -2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.746 9.563 -2.463 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.149 10.381 -3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 161 5.797 8.425 -4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 161 4.652 7.402 -3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 161 2.757 8.789 -4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 161 3.915 9.775 -5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 161 3.404 6.784 -5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 161 3.066 8.061 -6.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 5.092 7.383 -7.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 5.632 8.537 -6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 5.646 6.888 -6.134 1.00 0.00 H new ATOM 451 N THR A 162 4.810 10.403 0.084 1.00 0.00 N ATOM 452 CA THR A 162 4.935 11.473 1.069 1.00 0.00 C ATOM 453 C THR A 162 5.936 11.082 2.153 1.00 0.00 C ATOM 454 O THR A 162 6.621 11.936 2.715 1.00 0.00 O ATOM 455 CB THR A 162 3.572 11.785 1.697 1.00 0.00 C ATOM 456 OG1 THR A 162 3.666 12.986 2.451 1.00 0.00 O ATOM 457 CG2 THR A 162 3.144 10.641 2.616 1.00 0.00 C ATOM 0 H THR A 162 3.874 10.007 -0.002 1.00 0.00 H new ATOM 0 HA THR A 162 5.298 12.367 0.562 1.00 0.00 H new ATOM 0 HB THR A 162 2.832 11.902 0.906 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.795 13.189 2.853 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.175 10.872 3.057 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.070 9.719 2.039 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.882 10.515 3.408 1.00 0.00 H new ATOM 465 N LYS A 163 6.021 9.784 2.435 1.00 0.00 N ATOM 466 CA LYS A 163 6.950 9.293 3.445 1.00 0.00 C ATOM 467 C LYS A 163 8.368 9.264 2.878 1.00 0.00 C ATOM 468 O LYS A 163 8.560 9.295 1.663 1.00 0.00 O ATOM 469 CB LYS A 163 6.536 7.884 3.897 1.00 0.00 C ATOM 470 CG LYS A 163 5.349 7.946 4.889 1.00 0.00 C ATOM 471 CD LYS A 163 5.703 8.634 6.232 1.00 0.00 C ATOM 472 CE LYS A 163 7.079 8.197 6.740 1.00 0.00 C ATOM 473 NZ LYS A 163 7.208 8.556 8.181 1.00 0.00 N ATOM 0 H LYS A 163 5.463 9.060 1.982 1.00 0.00 H new ATOM 0 HA LYS A 163 6.926 9.962 4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.258 7.287 3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.383 7.386 4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.523 8.482 4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 163 5.000 6.933 5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.689 9.716 6.103 1.00 0.00 H new ATOM 0 HD3 LYS A 163 4.945 8.392 6.977 1.00 0.00 H new ATOM 0 HE2 LYS A 163 7.204 7.122 6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 163 7.864 8.682 6.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 8.142 8.261 8.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 7.106 9.585 8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 6.466 8.073 8.727 1.00 0.00 H new ATOM 487 N LYS A 164 9.360 9.207 3.768 1.00 0.00 N ATOM 488 CA LYS A 164 10.764 9.182 3.353 1.00 0.00 C ATOM 489 C LYS A 164 11.535 8.125 4.137 1.00 0.00 C ATOM 490 O LYS A 164 11.140 7.743 5.238 1.00 0.00 O ATOM 491 CB LYS A 164 11.408 10.555 3.583 1.00 0.00 C ATOM 492 CG LYS A 164 11.118 11.058 5.019 1.00 0.00 C ATOM 493 CD LYS A 164 9.853 11.928 5.043 1.00 0.00 C ATOM 494 CE LYS A 164 9.670 12.518 6.442 1.00 0.00 C ATOM 495 NZ LYS A 164 10.834 13.389 6.770 1.00 0.00 N ATOM 0 H LYS A 164 9.218 9.177 4.778 1.00 0.00 H new ATOM 0 HA LYS A 164 10.802 8.936 2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.484 10.489 3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 164 11.023 11.270 2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 164 10.994 10.208 5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.968 11.633 5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 164 9.934 12.728 4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.982 11.331 4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 164 8.746 13.095 6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 164 9.582 11.718 7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 10.554 14.087 7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 11.612 12.805 7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 11.150 13.884 5.912 1.00 0.00 H new ATOM 509 N SER A 165 12.638 7.660 3.560 1.00 0.00 N ATOM 510 CA SER A 165 13.462 6.648 4.211 1.00 0.00 C ATOM 511 C SER A 165 14.173 7.240 5.424 1.00 0.00 C ATOM 512 O SER A 165 14.133 8.449 5.650 1.00 0.00 O ATOM 513 CB SER A 165 14.497 6.104 3.226 1.00 0.00 C ATOM 514 OG SER A 165 15.527 5.440 3.945 1.00 0.00 O ATOM 0 H SER A 165 12.980 7.965 2.649 1.00 0.00 H new ATOM 0 HA SER A 165 12.815 5.835 4.542 1.00 0.00 H new ATOM 0 HB2 SER A 165 14.023 5.415 2.527 1.00 0.00 H new ATOM 0 HB3 SER A 165 14.917 6.918 2.635 1.00 0.00 H new ATOM 0 HG SER A 165 16.191 5.089 3.316 1.00 0.00 H new ATOM 520 N LYS A 166 14.824 6.380 6.201 1.00 0.00 N ATOM 521 CA LYS A 166 15.540 6.830 7.389 1.00 0.00 C ATOM 522 C LYS A 166 16.517 7.946 7.030 1.00 0.00 C ATOM 523 O LYS A 166 16.782 8.836 7.838 1.00 0.00 O ATOM 524 CB LYS A 166 16.306 5.658 8.014 1.00 0.00 C ATOM 525 CG LYS A 166 16.822 6.042 9.414 1.00 0.00 C ATOM 526 CD LYS A 166 15.734 5.805 10.471 1.00 0.00 C ATOM 527 CE LYS A 166 16.324 6.026 11.865 1.00 0.00 C ATOM 528 NZ LYS A 166 15.267 5.806 12.891 1.00 0.00 N ATOM 0 H LYS A 166 14.871 5.375 6.031 1.00 0.00 H new ATOM 0 HA LYS A 166 14.815 7.212 8.107 1.00 0.00 H new ATOM 0 HB2 LYS A 166 15.656 4.786 8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 166 17.143 5.379 7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 166 17.707 5.453 9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 166 17.124 7.089 9.422 1.00 0.00 H new ATOM 0 HD2 LYS A 166 14.897 6.484 10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 166 15.343 4.791 10.386 1.00 0.00 H new ATOM 0 HE2 LYS A 166 17.156 5.342 12.032 1.00 0.00 H new ATOM 0 HE3 LYS A 166 16.721 7.038 11.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 15.667 5.956 13.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 14.487 6.475 12.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 14.908 4.833 12.817 1.00 0.00 H new ATOM 542 N GLY A 167 17.050 7.891 5.812 1.00 0.00 N ATOM 543 CA GLY A 167 17.997 8.902 5.349 1.00 0.00 C ATOM 544 C GLY A 167 17.270 10.063 4.679 1.00 0.00 C ATOM 545 O GLY A 167 17.822 10.732 3.805 1.00 0.00 O ATOM 0 H GLY A 167 16.844 7.161 5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.581 9.271 6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.699 8.453 4.646 1.00 0.00 H new ATOM 549 N ASN A 168 16.030 10.297 5.096 1.00 0.00 N ATOM 550 CA ASN A 168 15.237 11.381 4.529 1.00 0.00 C ATOM 551 C ASN A 168 15.281 11.334 3.005 1.00 0.00 C ATOM 552 O ASN A 168 15.457 12.359 2.347 1.00 0.00 O ATOM 553 CB ASN A 168 15.769 12.730 5.015 1.00 0.00 C ATOM 554 CG ASN A 168 15.732 12.785 6.539 1.00 0.00 C ATOM 555 OD1 ASN A 168 16.689 13.239 7.168 1.00 0.00 O ATOM 556 ND2 ASN A 168 14.680 12.347 7.173 1.00 0.00 N ATOM 0 H ASN A 168 15.556 9.755 5.819 1.00 0.00 H new ATOM 0 HA ASN A 168 14.205 11.260 4.857 1.00 0.00 H new ATOM 0 HB2 ASN A 168 16.790 12.877 4.662 1.00 0.00 H new ATOM 0 HB3 ASN A 168 15.168 13.539 4.599 1.00 0.00 H new ATOM 0 HD21 ASN A 168 14.648 12.380 8.192 1.00 0.00 H new ATOM 0 HD22 ASN A 168 13.889 11.972 6.650 1.00 0.00 H new ATOM 563 N LYS A 169 15.122 10.133 2.447 1.00 0.00 N ATOM 564 CA LYS A 169 15.145 9.945 0.994 1.00 0.00 C ATOM 565 C LYS A 169 13.736 9.621 0.485 1.00 0.00 C ATOM 566 O LYS A 169 12.758 9.753 1.220 1.00 0.00 O ATOM 567 CB LYS A 169 16.124 8.797 0.645 1.00 0.00 C ATOM 568 CG LYS A 169 16.976 9.161 -0.584 1.00 0.00 C ATOM 569 CD LYS A 169 17.610 7.896 -1.166 1.00 0.00 C ATOM 570 CE LYS A 169 18.564 7.283 -0.140 1.00 0.00 C ATOM 571 NZ LYS A 169 19.431 6.273 -0.809 1.00 0.00 N ATOM 0 H LYS A 169 14.976 9.275 2.979 1.00 0.00 H new ATOM 0 HA LYS A 169 15.482 10.862 0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.774 8.595 1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.564 7.883 0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 169 16.356 9.648 -1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 169 17.753 9.872 -0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 169 16.835 7.177 -1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 169 18.150 8.136 -2.082 1.00 0.00 H new ATOM 0 HE2 LYS A 169 19.178 8.062 0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 169 17.997 6.815 0.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 20.080 5.856 -0.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 18.838 5.525 -1.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 19.981 6.732 -1.562 1.00 0.00 H new ATOM 585 N ASP A 170 13.642 9.195 -0.774 1.00 0.00 N ATOM 586 CA ASP A 170 12.352 8.851 -1.377 1.00 0.00 C ATOM 587 C ASP A 170 12.206 7.335 -1.483 1.00 0.00 C ATOM 588 O ASP A 170 13.198 6.607 -1.483 1.00 0.00 O ATOM 589 CB ASP A 170 12.250 9.470 -2.772 1.00 0.00 C ATOM 590 CG ASP A 170 10.879 9.178 -3.373 1.00 0.00 C ATOM 591 OD1 ASP A 170 9.926 9.099 -2.614 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.801 9.039 -4.583 1.00 0.00 O ATOM 0 H ASP A 170 14.442 9.079 -1.397 1.00 0.00 H new ATOM 0 HA ASP A 170 11.555 9.243 -0.745 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.409 10.547 -2.714 1.00 0.00 H new ATOM 0 HB3 ASP A 170 13.032 9.067 -3.416 1.00 0.00 H new ATOM 597 N MET A 171 10.962 6.867 -1.573 1.00 0.00 N ATOM 598 CA MET A 171 10.694 5.433 -1.678 1.00 0.00 C ATOM 599 C MET A 171 9.434 5.180 -2.497 1.00 0.00 C ATOM 600 O MET A 171 8.416 5.848 -2.313 1.00 0.00 O ATOM 601 CB MET A 171 10.519 4.828 -0.283 1.00 0.00 C ATOM 602 CG MET A 171 11.757 5.118 0.567 1.00 0.00 C ATOM 603 SD MET A 171 11.705 4.123 2.081 1.00 0.00 S ATOM 604 CE MET A 171 11.907 2.491 1.319 1.00 0.00 C ATOM 0 H MET A 171 10.129 7.455 -1.575 1.00 0.00 H new ATOM 0 HA MET A 171 11.542 4.964 -2.177 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.633 5.245 0.195 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.364 3.752 -0.360 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.660 4.890 0.001 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.798 6.178 0.818 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.202 1.768 2.080 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.964 2.180 0.869 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.677 2.542 0.549 1.00 0.00 H new ATOM 614 N ILE A 172 9.503 4.197 -3.392 1.00 0.00 N ATOM 615 CA ILE A 172 8.360 3.841 -4.231 1.00 0.00 C ATOM 616 C ILE A 172 7.542 2.756 -3.547 1.00 0.00 C ATOM 617 O ILE A 172 7.802 2.414 -2.396 1.00 0.00 O ATOM 618 CB ILE A 172 8.842 3.344 -5.604 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.656 2.047 -5.460 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.727 4.414 -6.246 1.00 0.00 C ATOM 621 CD1 ILE A 172 9.952 1.475 -6.849 1.00 0.00 C ATOM 0 H ILE A 172 10.337 3.633 -3.555 1.00 0.00 H new ATOM 0 HA ILE A 172 7.739 4.725 -4.377 1.00 0.00 H new ATOM 0 HB ILE A 172 7.969 3.147 -6.227 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.588 2.246 -4.931 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.101 1.321 -4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.071 4.065 -7.220 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.154 5.333 -6.371 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.587 4.607 -5.605 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.529 0.556 -6.749 1.00 0.00 H new ATOM 0 HD12 ILE A 172 9.014 1.261 -7.362 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.524 2.201 -7.427 1.00 0.00 H new ATOM 633 N VAL A 173 6.571 2.198 -4.269 1.00 0.00 N ATOM 634 CA VAL A 173 5.735 1.121 -3.733 1.00 0.00 C ATOM 635 C VAL A 173 6.010 -0.163 -4.509 1.00 0.00 C ATOM 636 O VAL A 173 5.636 -0.293 -5.675 1.00 0.00 O ATOM 637 CB VAL A 173 4.249 1.495 -3.824 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.384 0.272 -3.499 1.00 0.00 C ATOM 639 CG2 VAL A 173 3.938 2.619 -2.821 1.00 0.00 C ATOM 0 H VAL A 173 6.343 2.472 -5.225 1.00 0.00 H new ATOM 0 HA VAL A 173 5.979 0.967 -2.682 1.00 0.00 H new ATOM 0 HB VAL A 173 4.028 1.836 -4.836 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.330 0.544 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.599 -0.525 -4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.607 -0.073 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.883 2.884 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.164 2.278 -1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.546 3.493 -3.054 1.00 0.00 H new ATOM 649 N ARG A 174 6.684 -1.097 -3.851 1.00 0.00 N ATOM 650 CA ARG A 174 7.036 -2.367 -4.471 1.00 0.00 C ATOM 651 C ARG A 174 5.814 -3.286 -4.568 1.00 0.00 C ATOM 652 O ARG A 174 5.458 -3.738 -5.656 1.00 0.00 O ATOM 653 CB ARG A 174 8.175 -3.019 -3.653 1.00 0.00 C ATOM 654 CG ARG A 174 8.123 -4.554 -3.738 1.00 0.00 C ATOM 655 CD ARG A 174 9.475 -5.139 -3.323 1.00 0.00 C ATOM 656 NE ARG A 174 9.403 -6.595 -3.278 1.00 0.00 N ATOM 657 CZ ARG A 174 8.715 -7.221 -2.329 1.00 0.00 C ATOM 658 NH1 ARG A 174 8.088 -6.532 -1.416 1.00 0.00 N ATOM 659 NH2 ARG A 174 8.667 -8.526 -2.310 1.00 0.00 N ATOM 0 H ARG A 174 6.998 -0.998 -2.886 1.00 0.00 H new ATOM 0 HA ARG A 174 7.382 -2.196 -5.490 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.138 -2.666 -4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.100 -2.709 -2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.335 -4.937 -3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.878 -4.864 -4.754 1.00 0.00 H new ATOM 0 HD2 ARG A 174 10.246 -4.828 -4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.762 -4.752 -2.345 1.00 0.00 H new ATOM 0 HE ARG A 174 9.890 -7.143 -3.988 1.00 0.00 H new ATOM 0 HH11 ARG A 174 8.126 -5.513 -1.431 1.00 0.00 H new ATOM 0 HH12 ARG A 174 7.560 -7.012 -0.688 1.00 0.00 H new ATOM 0 HH21 ARG A 174 9.158 -9.065 -3.024 1.00 0.00 H new ATOM 0 HH22 ARG A 174 8.139 -9.006 -1.581 1.00 0.00 H new ATOM 673 N SER A 175 5.187 -3.569 -3.426 1.00 0.00 N ATOM 674 CA SER A 175 4.010 -4.449 -3.392 1.00 0.00 C ATOM 675 C SER A 175 2.772 -3.685 -2.938 1.00 0.00 C ATOM 676 O SER A 175 2.874 -2.591 -2.382 1.00 0.00 O ATOM 677 CB SER A 175 4.266 -5.619 -2.441 1.00 0.00 C ATOM 678 OG SER A 175 3.353 -6.669 -2.732 1.00 0.00 O ATOM 0 H SER A 175 5.469 -3.206 -2.515 1.00 0.00 H new ATOM 0 HA SER A 175 3.835 -4.825 -4.400 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.291 -5.973 -2.549 1.00 0.00 H new ATOM 0 HB3 SER A 175 4.148 -5.295 -1.407 1.00 0.00 H new ATOM 0 HG SER A 175 3.515 -7.421 -2.125 1.00 0.00 H new ATOM 684 N PHE A 176 1.602 -4.272 -3.174 1.00 0.00 N ATOM 685 CA PHE A 176 0.351 -3.636 -2.780 1.00 0.00 C ATOM 686 C PHE A 176 -0.811 -4.629 -2.870 1.00 0.00 C ATOM 687 O PHE A 176 -0.972 -5.332 -3.868 1.00 0.00 O ATOM 688 CB PHE A 176 0.107 -2.399 -3.668 1.00 0.00 C ATOM 689 CG PHE A 176 -1.363 -2.025 -3.694 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.899 -1.238 -2.674 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.187 -2.472 -4.734 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.250 -0.900 -2.684 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.545 -2.128 -4.746 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.075 -1.342 -3.717 1.00 0.00 C ATOM 0 H PHE A 176 1.495 -5.177 -3.631 1.00 0.00 H new ATOM 0 HA PHE A 176 0.419 -3.312 -1.742 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.692 -1.559 -3.295 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.451 -2.602 -4.682 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.263 -0.889 -1.873 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.776 -3.081 -5.526 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.660 -0.294 -1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.182 -2.469 -5.549 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.122 -1.078 -3.723 1.00 0.00 H new ATOM 704 N ALA A 177 -1.611 -4.670 -1.808 1.00 0.00 N ATOM 705 CA ALA A 177 -2.765 -5.567 -1.744 1.00 0.00 C ATOM 706 C ALA A 177 -3.661 -5.159 -0.580 1.00 0.00 C ATOM 707 O ALA A 177 -3.161 -4.781 0.473 1.00 0.00 O ATOM 708 CB ALA A 177 -2.296 -7.009 -1.546 1.00 0.00 C ATOM 0 H ALA A 177 -1.482 -4.092 -0.978 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.323 -5.499 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.161 -7.670 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.660 -7.303 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.732 -7.084 -0.616 1.00 0.00 H new ATOM 714 N VAL A 178 -4.977 -5.228 -0.766 1.00 0.00 N ATOM 715 CA VAL A 178 -5.895 -4.833 0.302 1.00 0.00 C ATOM 716 C VAL A 178 -5.824 -5.809 1.474 1.00 0.00 C ATOM 717 O VAL A 178 -5.275 -6.904 1.347 1.00 0.00 O ATOM 718 CB VAL A 178 -7.333 -4.736 -0.221 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.437 -3.562 -1.201 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.729 -6.038 -0.926 1.00 0.00 C ATOM 0 H VAL A 178 -5.425 -5.546 -1.625 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.588 -3.849 0.655 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.010 -4.574 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.458 -3.490 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.172 -2.637 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.755 -3.724 -2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.752 -5.956 -1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.056 -6.217 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.661 -6.868 -0.223 1.00 0.00 H new ATOM 730 N LEU A 179 -6.352 -5.387 2.629 1.00 0.00 N ATOM 731 CA LEU A 179 -6.310 -6.214 3.841 1.00 0.00 C ATOM 732 C LEU A 179 -7.703 -6.689 4.262 1.00 0.00 C ATOM 733 O LEU A 179 -8.215 -7.684 3.751 1.00 0.00 O ATOM 734 CB LEU A 179 -5.699 -5.406 5.000 1.00 0.00 C ATOM 735 CG LEU A 179 -4.173 -5.269 4.837 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.608 -4.334 5.948 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.504 -6.670 4.906 1.00 0.00 C ATOM 0 H LEU A 179 -6.810 -4.484 2.750 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.701 -7.089 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.154 -4.416 5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -5.924 -5.896 5.947 1.00 0.00 H new ATOM 0 HG LEU A 179 -3.951 -4.829 3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.529 -4.239 5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.070 -3.350 5.865 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.830 -4.758 6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.425 -6.564 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.722 -7.130 5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -3.895 -7.300 4.107 1.00 0.00 H new ATOM 749 N GLU A 180 -8.281 -5.985 5.232 1.00 0.00 N ATOM 750 CA GLU A 180 -9.588 -6.352 5.767 1.00 0.00 C ATOM 751 C GLU A 180 -10.713 -6.044 4.773 1.00 0.00 C ATOM 752 O GLU A 180 -10.638 -5.059 4.038 1.00 0.00 O ATOM 753 CB GLU A 180 -9.840 -5.591 7.069 1.00 0.00 C ATOM 754 CG GLU A 180 -8.937 -6.143 8.173 1.00 0.00 C ATOM 755 CD GLU A 180 -8.954 -5.208 9.377 1.00 0.00 C ATOM 756 OE1 GLU A 180 -10.013 -4.692 9.687 1.00 0.00 O ATOM 757 OE2 GLU A 180 -7.905 -5.022 9.972 1.00 0.00 O ATOM 0 H GLU A 180 -7.865 -5.159 5.662 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.584 -7.426 5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.645 -4.528 6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.886 -5.686 7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.276 -7.136 8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -7.918 -6.251 7.801 1.00 0.00 H new ATOM 764 N PRO A 181 -11.756 -6.851 4.738 1.00 0.00 N ATOM 765 CA PRO A 181 -12.910 -6.629 3.817 1.00 0.00 C ATOM 766 C PRO A 181 -13.888 -5.568 4.334 1.00 0.00 C ATOM 767 O PRO A 181 -14.100 -5.423 5.538 1.00 0.00 O ATOM 768 CB PRO A 181 -13.579 -8.004 3.780 1.00 0.00 C ATOM 769 CG PRO A 181 -13.357 -8.547 5.150 1.00 0.00 C ATOM 770 CD PRO A 181 -11.961 -8.067 5.559 1.00 0.00 C ATOM 0 HA PRO A 181 -12.593 -6.257 2.843 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.641 -7.925 3.549 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.134 -8.645 3.019 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.116 -8.184 5.844 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.415 -9.635 5.155 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -11.910 -7.844 6.625 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.202 -8.822 5.354 1.00 0.00 H new ATOM 778 N CYS A 182 -14.482 -4.847 3.392 1.00 0.00 N ATOM 779 CA CYS A 182 -15.462 -3.794 3.683 1.00 0.00 C ATOM 780 C CYS A 182 -16.649 -3.970 2.737 1.00 0.00 C ATOM 781 O CYS A 182 -16.754 -5.000 2.073 1.00 0.00 O ATOM 782 CB CYS A 182 -14.828 -2.411 3.504 1.00 0.00 C ATOM 783 SG CYS A 182 -15.668 -1.174 4.521 1.00 0.00 S ATOM 0 H CYS A 182 -14.300 -4.973 2.396 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.799 -3.872 4.717 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.773 -2.453 3.775 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.877 -2.118 2.455 1.00 0.00 H new ATOM 788 N ALA A 183 -17.546 -2.985 2.701 1.00 0.00 N ATOM 789 CA ALA A 183 -18.734 -3.056 1.840 1.00 0.00 C ATOM 790 C ALA A 183 -18.438 -3.773 0.516 1.00 0.00 C ATOM 791 O ALA A 183 -17.282 -3.928 0.128 1.00 0.00 O ATOM 792 CB ALA A 183 -19.237 -1.641 1.543 1.00 0.00 C ATOM 0 H ALA A 183 -17.477 -2.131 3.254 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.495 -3.627 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.118 -1.695 0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.496 -1.143 2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.455 -1.076 1.036 1.00 0.00 H new ATOM 798 N LEU A 184 -19.512 -4.213 -0.152 1.00 0.00 N ATOM 799 CA LEU A 184 -19.431 -4.946 -1.430 1.00 0.00 C ATOM 800 C LEU A 184 -18.063 -4.840 -2.107 1.00 0.00 C ATOM 801 O LEU A 184 -17.348 -5.835 -2.226 1.00 0.00 O ATOM 802 CB LEU A 184 -20.496 -4.408 -2.393 1.00 0.00 C ATOM 803 CG LEU A 184 -20.656 -5.361 -3.604 1.00 0.00 C ATOM 804 CD1 LEU A 184 -21.725 -6.417 -3.302 1.00 0.00 C ATOM 805 CD2 LEU A 184 -21.075 -4.561 -4.843 1.00 0.00 C ATOM 0 H LEU A 184 -20.467 -4.072 0.177 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.597 -5.998 -1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.449 -4.307 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.214 -3.413 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 184 -19.702 -5.854 -3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -21.831 -7.083 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -21.428 -6.996 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -22.677 -5.925 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -21.186 -5.236 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -22.024 -4.062 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -20.313 -3.816 -5.070 1.00 0.00 H new ATOM 817 N ASP A 185 -17.711 -3.640 -2.567 1.00 0.00 N ATOM 818 CA ASP A 185 -16.431 -3.423 -3.253 1.00 0.00 C ATOM 819 C ASP A 185 -15.594 -2.395 -2.504 1.00 0.00 C ATOM 820 O ASP A 185 -15.378 -1.284 -2.990 1.00 0.00 O ATOM 821 CB ASP A 185 -16.700 -2.931 -4.680 1.00 0.00 C ATOM 822 CG ASP A 185 -15.452 -3.106 -5.542 1.00 0.00 C ATOM 823 OD1 ASP A 185 -14.363 -3.012 -5.002 1.00 0.00 O ATOM 824 OD2 ASP A 185 -15.606 -3.333 -6.732 1.00 0.00 O ATOM 0 H ASP A 185 -18.289 -2.804 -2.479 1.00 0.00 H new ATOM 0 HA ASP A 185 -15.880 -4.363 -3.284 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -17.531 -3.487 -5.114 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -16.994 -1.882 -4.661 1.00 0.00 H new ATOM 829 N MET A 186 -15.137 -2.770 -1.314 1.00 0.00 N ATOM 830 CA MET A 186 -14.339 -1.870 -0.489 1.00 0.00 C ATOM 831 C MET A 186 -13.517 -2.651 0.534 1.00 0.00 C ATOM 832 O MET A 186 -13.801 -3.816 0.814 1.00 0.00 O ATOM 833 CB MET A 186 -15.258 -0.869 0.226 1.00 0.00 C ATOM 834 CG MET A 186 -15.811 0.163 -0.762 1.00 0.00 C ATOM 835 SD MET A 186 -16.376 1.620 0.154 1.00 0.00 S ATOM 836 CE MET A 186 -16.001 2.857 -1.111 1.00 0.00 C ATOM 0 H MET A 186 -15.305 -3.687 -0.900 1.00 0.00 H new ATOM 0 HA MET A 186 -13.649 -1.329 -1.136 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.082 -1.401 0.703 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.706 -0.362 1.017 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.041 0.446 -1.480 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.636 -0.266 -1.331 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.160 3.855 -0.702 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.962 2.754 -1.424 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.655 2.709 -1.970 1.00 0.00 H new ATOM 846 N PHE A 187 -12.493 -1.997 1.097 1.00 0.00 N ATOM 847 CA PHE A 187 -11.625 -2.630 2.100 1.00 0.00 C ATOM 848 C PHE A 187 -11.393 -1.696 3.290 1.00 0.00 C ATOM 849 O PHE A 187 -11.113 -0.509 3.117 1.00 0.00 O ATOM 850 CB PHE A 187 -10.297 -2.994 1.447 1.00 0.00 C ATOM 851 CG PHE A 187 -10.589 -3.949 0.321 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.677 -5.321 0.576 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.804 -3.461 -0.972 1.00 0.00 C ATOM 854 CE1 PHE A 187 -10.975 -6.208 -0.462 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.107 -4.344 -2.012 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.192 -5.719 -1.758 1.00 0.00 C ATOM 0 H PHE A 187 -12.245 -1.033 0.876 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.111 -3.531 2.474 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.798 -2.101 1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.626 -3.453 2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.515 -5.696 1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.736 -2.401 -1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.038 -7.268 -0.266 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.275 -3.967 -3.010 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.425 -6.403 -2.561 1.00 0.00 H new ATOM 866 N THR A 188 -11.540 -2.241 4.501 1.00 0.00 N ATOM 867 CA THR A 188 -11.374 -1.446 5.720 1.00 0.00 C ATOM 868 C THR A 188 -9.917 -1.020 5.907 1.00 0.00 C ATOM 869 O THR A 188 -9.627 -0.101 6.675 1.00 0.00 O ATOM 870 CB THR A 188 -11.840 -2.234 6.974 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.710 -2.640 7.735 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.639 -3.477 6.568 1.00 0.00 C ATOM 0 H THR A 188 -11.772 -3.221 4.663 1.00 0.00 H new ATOM 0 HA THR A 188 -11.995 -0.557 5.607 1.00 0.00 H new ATOM 0 HB THR A 188 -12.477 -1.580 7.570 1.00 0.00 H new ATOM 0 HG1 THR A 188 -10.948 -3.415 8.285 1.00 0.00 H new ATOM 0 HG21 THR A 188 -12.956 -4.014 7.462 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.517 -3.175 5.996 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.014 -4.128 5.956 1.00 0.00 H new ATOM 880 N GLY A 189 -9.006 -1.694 5.218 1.00 0.00 N ATOM 881 CA GLY A 189 -7.590 -1.375 5.338 1.00 0.00 C ATOM 882 C GLY A 189 -6.794 -1.983 4.194 1.00 0.00 C ATOM 883 O GLY A 189 -7.273 -2.882 3.504 1.00 0.00 O ATOM 0 H GLY A 189 -9.219 -2.458 4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.457 -0.293 5.343 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.209 -1.748 6.289 1.00 0.00 H new ATOM 887 N VAL A 190 -5.573 -1.485 3.990 1.00 0.00 N ATOM 888 CA VAL A 190 -4.725 -1.994 2.912 1.00 0.00 C ATOM 889 C VAL A 190 -3.253 -2.052 3.321 1.00 0.00 C ATOM 890 O VAL A 190 -2.759 -1.185 4.044 1.00 0.00 O ATOM 891 CB VAL A 190 -4.887 -1.106 1.664 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.472 0.333 1.995 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.027 -1.642 0.489 1.00 0.00 C ATOM 0 H VAL A 190 -5.154 -0.741 4.548 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.044 -3.012 2.689 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.934 -1.124 1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.588 0.958 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.103 0.718 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.430 0.347 2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.158 -0.998 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -2.977 -1.649 0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.341 -2.656 0.241 1.00 0.00 H new ATOM 903 N GLU A 191 -2.556 -3.083 2.835 1.00 0.00 N ATOM 904 CA GLU A 191 -1.133 -3.264 3.124 1.00 0.00 C ATOM 905 C GLU A 191 -0.309 -3.058 1.856 1.00 0.00 C ATOM 906 O GLU A 191 -0.707 -3.485 0.772 1.00 0.00 O ATOM 907 CB GLU A 191 -0.887 -4.670 3.694 1.00 0.00 C ATOM 908 CG GLU A 191 -1.110 -5.757 2.634 1.00 0.00 C ATOM 909 CD GLU A 191 -0.798 -7.126 3.231 1.00 0.00 C ATOM 910 OE1 GLU A 191 0.072 -7.194 4.083 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.434 -8.086 2.826 1.00 0.00 O ATOM 0 H GLU A 191 -2.957 -3.806 2.238 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.826 -2.525 3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.132 -4.736 4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.554 -4.843 4.539 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.141 -5.729 2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.472 -5.572 1.769 1.00 0.00 H new ATOM 918 N PHE A 192 0.842 -2.406 1.993 1.00 0.00 N ATOM 919 CA PHE A 192 1.711 -2.159 0.844 1.00 0.00 C ATOM 920 C PHE A 192 3.165 -2.045 1.276 1.00 0.00 C ATOM 921 O PHE A 192 3.467 -1.552 2.363 1.00 0.00 O ATOM 922 CB PHE A 192 1.288 -0.886 0.104 1.00 0.00 C ATOM 923 CG PHE A 192 1.146 0.274 1.065 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.066 0.320 1.956 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.087 1.312 1.052 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.071 1.401 2.834 1.00 0.00 C ATOM 927 CE2 PHE A 192 1.946 2.394 1.929 1.00 0.00 C ATOM 928 CZ PHE A 192 0.868 2.438 2.820 1.00 0.00 C ATOM 0 H PHE A 192 1.193 -2.042 2.879 1.00 0.00 H new ATOM 0 HA PHE A 192 1.613 -3.008 0.168 1.00 0.00 H new ATOM 0 HB2 PHE A 192 2.026 -0.642 -0.660 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.342 -1.056 -0.410 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.661 -0.479 1.965 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.920 1.277 0.366 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.902 1.435 3.523 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.670 3.195 1.918 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.761 3.273 3.497 1.00 0.00 H new ATOM 938 N VAL A 193 4.065 -2.509 0.410 1.00 0.00 N ATOM 939 CA VAL A 193 5.504 -2.465 0.697 1.00 0.00 C ATOM 940 C VAL A 193 6.161 -1.303 -0.037 1.00 0.00 C ATOM 941 O VAL A 193 5.731 -0.916 -1.122 1.00 0.00 O ATOM 942 CB VAL A 193 6.167 -3.776 0.262 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.685 -3.679 0.451 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.623 -4.928 1.110 1.00 0.00 C ATOM 0 H VAL A 193 3.828 -2.919 -0.493 1.00 0.00 H new ATOM 0 HA VAL A 193 5.634 -2.328 1.771 1.00 0.00 H new ATOM 0 HB VAL A 193 5.946 -3.958 -0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.151 -4.614 0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 193 8.075 -2.860 -0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.910 -3.493 1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 193 6.094 -5.861 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.842 -4.741 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.544 -5.003 0.972 1.00 0.00 H new ATOM 954 N CYS A 194 7.218 -0.757 0.567 1.00 0.00 N ATOM 955 CA CYS A 194 7.954 0.360 -0.029 1.00 0.00 C ATOM 956 C CYS A 194 9.399 -0.046 -0.299 1.00 0.00 C ATOM 957 O CYS A 194 9.941 -0.916 0.377 1.00 0.00 O ATOM 958 CB CYS A 194 7.935 1.560 0.919 1.00 0.00 C ATOM 959 SG CYS A 194 6.296 2.327 0.889 1.00 0.00 S ATOM 0 H CYS A 194 7.583 -1.069 1.467 1.00 0.00 H new ATOM 0 HA CYS A 194 7.475 0.631 -0.970 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.180 1.241 1.932 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.693 2.285 0.621 1.00 0.00 H new ATOM 964 N CYS A 195 10.022 0.591 -1.293 1.00 0.00 N ATOM 965 CA CYS A 195 11.412 0.283 -1.644 1.00 0.00 C ATOM 966 C CYS A 195 12.173 1.567 -2.017 1.00 0.00 C ATOM 967 O CYS A 195 11.586 2.489 -2.583 1.00 0.00 O ATOM 968 CB CYS A 195 11.432 -0.701 -2.818 1.00 0.00 C ATOM 969 SG CYS A 195 11.066 -2.367 -2.203 1.00 0.00 S ATOM 0 H CYS A 195 9.591 1.317 -1.865 1.00 0.00 H new ATOM 0 HA CYS A 195 11.905 -0.167 -0.782 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.697 -0.407 -3.567 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.407 -0.686 -3.305 1.00 0.00 H new ATOM 974 N PRO A 196 13.455 1.656 -1.714 1.00 0.00 N ATOM 975 CA PRO A 196 14.275 2.869 -2.030 1.00 0.00 C ATOM 976 C PRO A 196 14.647 2.954 -3.511 1.00 0.00 C ATOM 977 O PRO A 196 15.427 3.816 -3.915 1.00 0.00 O ATOM 978 CB PRO A 196 15.523 2.680 -1.163 1.00 0.00 C ATOM 979 CG PRO A 196 15.691 1.201 -1.081 1.00 0.00 C ATOM 980 CD PRO A 196 14.273 0.625 -1.038 1.00 0.00 C ATOM 0 HA PRO A 196 13.736 3.795 -1.828 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.395 3.156 -1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.392 3.121 -0.175 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.242 0.821 -1.941 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.255 0.920 -0.192 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.214 -0.334 -1.553 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.940 0.457 -0.014 1.00 0.00 H new ATOM 988 N ASN A 197 14.090 2.055 -4.312 1.00 0.00 N ATOM 989 CA ASN A 197 14.376 2.042 -5.742 1.00 0.00 C ATOM 990 C ASN A 197 14.267 3.452 -6.319 1.00 0.00 C ATOM 991 O ASN A 197 15.288 3.991 -6.711 1.00 0.00 O ATOM 992 CB ASN A 197 13.390 1.111 -6.452 1.00 0.00 C ATOM 993 CG ASN A 197 13.799 -0.346 -6.261 1.00 0.00 C ATOM 994 OD1 ASN A 197 14.913 -0.630 -5.823 1.00 0.00 O ATOM 995 ND2 ASN A 197 12.953 -1.289 -6.570 1.00 0.00 N ATOM 996 OXT ASN A 197 13.162 3.969 -6.359 1.00 0.00 O ATOM 0 H ASN A 197 13.443 1.331 -4.000 1.00 0.00 H new ATOM 0 HA ASN A 197 15.393 1.681 -5.897 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.385 1.267 -6.059 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.357 1.349 -7.515 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.214 -2.268 -6.449 1.00 0.00 H new ATOM 0 HD22 ASN A 197 12.031 -1.048 -6.933 1.00 0.00 H new TER 1003 ASN A 197