USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 732 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 55 TYR OH : rot 180:sc= -1.96 USER MOD Set 1.2: A 105 LYS NZ :NH3+ -137:sc= 0.968 (180deg=0.0647) USER MOD Single : A 33 SER OG : rot 87:sc= 0.659 USER MOD Single : A 34 TYR OH : rot 147:sc= 0.0467 USER MOD Single : A 46 ASN :FLIP amide:sc= -3.1! F(o=-3.9,f=-3.1!) USER MOD Single : A 48 GLN : amide:sc= 0.807 K(o=0.81,f=-6.5!) USER MOD Single : A 49 SER OG : rot 180:sc=-0.00353 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.135 K(o=0.13,f=-4.2!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 68:sc= -0.951 USER MOD Single : A 74 LYS NZ :NH3+ 148:sc= 1.06 (180deg=-1.35) USER MOD Single : A 77 SER OG : rot 17:sc= -0.0395 USER MOD Single : A 79 THR OG1 : rot -130:sc= -0.652 USER MOD Single : A 81 LYS NZ :NH3+ -140:sc= 0.0261 (180deg=-0.297) USER MOD Single : A 83 THR OG1 : rot 72:sc= -1.1 USER MOD Single : A 89 THR OG1 : rot 50:sc= -0.209! USER MOD Single : A 91 GLN : amide:sc= -0.0321 K(o=-0.032,f=-1.1) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.032 X(o=-0.032,f=-0.032) USER MOD Single : A 106 GLN : amide:sc=-0.00445 X(o=-0.0045,f=-0.0044) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 98:sc= 0.754 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -1.05 K(o=-1,f=-8!) USER MOD ----------------------------------------------------------------- ATOM 101 N SER A 33 11.897 5.430 1.597 1.00 0.00 N ATOM 102 CA SER A 33 11.604 4.329 2.560 1.00 0.00 C ATOM 103 C SER A 33 10.665 3.308 1.920 1.00 0.00 C ATOM 104 O SER A 33 9.935 3.617 0.996 1.00 0.00 O ATOM 105 CB SER A 33 10.917 4.996 3.752 1.00 0.00 C ATOM 106 OG SER A 33 11.692 6.105 4.190 1.00 0.00 O ATOM 0 HA SER A 33 12.510 3.801 2.857 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.917 5.327 3.470 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.798 4.279 4.564 1.00 0.00 H new ATOM 0 HG SER A 33 11.442 6.902 3.677 1.00 0.00 H new ATOM 112 N TYR A 34 10.675 2.099 2.413 1.00 0.00 N ATOM 113 CA TYR A 34 9.778 1.044 1.848 1.00 0.00 C ATOM 114 C TYR A 34 8.312 1.469 1.997 1.00 0.00 C ATOM 115 O TYR A 34 7.507 1.257 1.111 1.00 0.00 O ATOM 116 CB TYR A 34 10.071 -0.220 2.668 1.00 0.00 C ATOM 117 CG TYR A 34 9.063 -1.296 2.332 1.00 0.00 C ATOM 118 CD1 TYR A 34 9.288 -2.152 1.248 1.00 0.00 C ATOM 119 CD2 TYR A 34 7.902 -1.430 3.103 1.00 0.00 C ATOM 120 CE1 TYR A 34 8.352 -3.145 0.934 1.00 0.00 C ATOM 121 CE2 TYR A 34 6.966 -2.422 2.792 1.00 0.00 C ATOM 122 CZ TYR A 34 7.190 -3.280 1.707 1.00 0.00 C ATOM 123 OH TYR A 34 6.264 -4.258 1.401 1.00 0.00 O ATOM 0 H TYR A 34 11.267 1.793 3.185 1.00 0.00 H new ATOM 0 HA TYR A 34 9.952 0.877 0.785 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.080 -0.575 2.457 1.00 0.00 H new ATOM 0 HB3 TYR A 34 10.030 0.009 3.733 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.184 -2.047 0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.729 -0.767 3.938 1.00 0.00 H new ATOM 0 HE1 TYR A 34 8.525 -3.806 0.098 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.071 -2.527 3.388 1.00 0.00 H new ATOM 0 HH TYR A 34 5.844 -4.580 2.226 1.00 0.00 H new ATOM 133 N ARG A 35 7.966 2.081 3.106 1.00 0.00 N ATOM 134 CA ARG A 35 6.556 2.536 3.306 1.00 0.00 C ATOM 135 C ARG A 35 6.187 3.575 2.241 1.00 0.00 C ATOM 136 O ARG A 35 5.076 3.599 1.745 1.00 0.00 O ATOM 137 CB ARG A 35 6.527 3.158 4.706 1.00 0.00 C ATOM 138 CG ARG A 35 5.165 2.903 5.358 1.00 0.00 C ATOM 139 CD ARG A 35 5.358 2.612 6.850 1.00 0.00 C ATOM 140 NE ARG A 35 4.204 1.748 7.233 1.00 0.00 N ATOM 141 CZ ARG A 35 3.330 2.173 8.107 1.00 0.00 C ATOM 142 NH1 ARG A 35 3.661 2.263 9.369 1.00 0.00 N ATOM 143 NH2 ARG A 35 2.127 2.504 7.718 1.00 0.00 N ATOM 0 H ARG A 35 8.600 2.284 3.879 1.00 0.00 H new ATOM 0 HA ARG A 35 5.840 1.719 3.217 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.320 2.731 5.320 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.715 4.230 4.642 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.519 3.771 5.227 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.670 2.061 4.874 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.306 2.106 7.033 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.370 3.533 7.432 1.00 0.00 H new ATOM 0 HE ARG A 35 4.097 0.825 6.813 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.600 2.002 9.670 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.980 2.594 10.052 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.871 2.430 6.733 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.444 2.836 8.399 1.00 0.00 H new ATOM 157 N GLU A 36 7.120 4.418 1.873 1.00 0.00 N ATOM 158 CA GLU A 36 6.839 5.443 0.824 1.00 0.00 C ATOM 159 C GLU A 36 6.737 4.758 -0.541 1.00 0.00 C ATOM 160 O GLU A 36 5.914 5.114 -1.363 1.00 0.00 O ATOM 161 CB GLU A 36 8.031 6.404 0.861 1.00 0.00 C ATOM 162 CG GLU A 36 8.132 7.049 2.248 1.00 0.00 C ATOM 163 CD GLU A 36 9.229 8.115 2.242 1.00 0.00 C ATOM 164 OE1 GLU A 36 10.394 7.746 2.265 1.00 0.00 O ATOM 165 OE2 GLU A 36 8.888 9.285 2.221 1.00 0.00 O ATOM 0 H GLU A 36 8.065 4.439 2.255 1.00 0.00 H new ATOM 0 HA GLU A 36 5.901 5.971 0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.951 5.866 0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.913 7.174 0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.177 7.498 2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.354 6.289 2.998 1.00 0.00 H new ATOM 172 N ALA A 37 7.557 3.761 -0.777 1.00 0.00 N ATOM 173 CA ALA A 37 7.501 3.031 -2.078 1.00 0.00 C ATOM 174 C ALA A 37 6.141 2.333 -2.220 1.00 0.00 C ATOM 175 O ALA A 37 5.541 2.341 -3.279 1.00 0.00 O ATOM 176 CB ALA A 37 8.637 2.004 -2.019 1.00 0.00 C ATOM 0 H ALA A 37 8.262 3.423 -0.122 1.00 0.00 H new ATOM 0 HA ALA A 37 7.613 3.697 -2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.656 1.429 -2.945 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.588 2.521 -1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.475 1.331 -1.177 1.00 0.00 H new ATOM 182 N VAL A 38 5.643 1.752 -1.153 1.00 0.00 N ATOM 183 CA VAL A 38 4.310 1.072 -1.217 1.00 0.00 C ATOM 184 C VAL A 38 3.215 2.117 -1.444 1.00 0.00 C ATOM 185 O VAL A 38 2.275 1.887 -2.180 1.00 0.00 O ATOM 186 CB VAL A 38 4.122 0.385 0.143 1.00 0.00 C ATOM 187 CG1 VAL A 38 2.797 -0.383 0.148 1.00 0.00 C ATOM 188 CG2 VAL A 38 5.273 -0.595 0.398 1.00 0.00 C ATOM 0 H VAL A 38 6.102 1.720 -0.242 1.00 0.00 H new ATOM 0 HA VAL A 38 4.256 0.351 -2.033 1.00 0.00 H new ATOM 0 HB VAL A 38 4.113 1.143 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.663 -0.871 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.974 0.310 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.810 -1.136 -0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.132 -1.078 1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.288 -1.351 -0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.219 -0.053 0.398 1.00 0.00 H new ATOM 198 N LEU A 39 3.341 3.268 -0.827 1.00 0.00 N ATOM 199 CA LEU A 39 2.321 4.344 -1.013 1.00 0.00 C ATOM 200 C LEU A 39 2.231 4.720 -2.497 1.00 0.00 C ATOM 201 O LEU A 39 1.155 4.855 -3.048 1.00 0.00 O ATOM 202 CB LEU A 39 2.838 5.525 -0.184 1.00 0.00 C ATOM 203 CG LEU A 39 1.728 6.565 -0.018 1.00 0.00 C ATOM 204 CD1 LEU A 39 1.769 7.129 1.404 1.00 0.00 C ATOM 205 CD2 LEU A 39 1.939 7.702 -1.023 1.00 0.00 C ATOM 0 H LEU A 39 4.110 3.507 -0.201 1.00 0.00 H new ATOM 0 HA LEU A 39 1.323 4.037 -0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.172 5.177 0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.701 5.975 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 39 0.760 6.096 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.979 7.870 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.621 6.321 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.737 7.598 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.148 8.443 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.906 8.171 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.913 7.301 -2.036 1.00 0.00 H new ATOM 217 N ARG A 40 3.359 4.873 -3.148 1.00 0.00 N ATOM 218 CA ARG A 40 3.348 5.224 -4.601 1.00 0.00 C ATOM 219 C ARG A 40 2.917 4.005 -5.429 1.00 0.00 C ATOM 220 O ARG A 40 2.225 4.134 -6.423 1.00 0.00 O ATOM 221 CB ARG A 40 4.790 5.622 -4.933 1.00 0.00 C ATOM 222 CG ARG A 40 4.827 7.086 -5.382 1.00 0.00 C ATOM 223 CD ARG A 40 5.452 7.179 -6.778 1.00 0.00 C ATOM 224 NE ARG A 40 4.689 8.256 -7.471 1.00 0.00 N ATOM 225 CZ ARG A 40 5.227 9.435 -7.640 1.00 0.00 C ATOM 226 NH1 ARG A 40 5.995 9.657 -8.673 1.00 0.00 N ATOM 227 NH2 ARG A 40 4.995 10.388 -6.774 1.00 0.00 N ATOM 0 H ARG A 40 4.286 4.770 -2.735 1.00 0.00 H new ATOM 0 HA ARG A 40 2.649 6.029 -4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.427 5.482 -4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.184 4.979 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.818 7.498 -5.396 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.404 7.680 -4.674 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.513 7.422 -6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.370 6.232 -7.311 1.00 0.00 H new ATOM 0 HE ARG A 40 3.746 8.073 -7.814 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.174 8.911 -9.345 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.416 10.576 -8.807 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.395 10.210 -5.968 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.414 11.309 -6.904 1.00 0.00 H new ATOM 241 N ALA A 41 3.316 2.824 -5.018 1.00 0.00 N ATOM 242 CA ALA A 41 2.927 1.591 -5.763 1.00 0.00 C ATOM 243 C ALA A 41 1.423 1.343 -5.607 1.00 0.00 C ATOM 244 O ALA A 41 0.764 0.915 -6.532 1.00 0.00 O ATOM 245 CB ALA A 41 3.729 0.458 -5.119 1.00 0.00 C ATOM 0 H ALA A 41 3.897 2.664 -4.195 1.00 0.00 H new ATOM 0 HA ALA A 41 3.133 1.670 -6.831 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.494 -0.483 -5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.795 0.665 -5.218 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.471 0.384 -4.063 1.00 0.00 H new ATOM 251 N VAL A 42 0.875 1.615 -4.445 1.00 0.00 N ATOM 252 CA VAL A 42 -0.590 1.404 -4.231 1.00 0.00 C ATOM 253 C VAL A 42 -1.391 2.374 -5.112 1.00 0.00 C ATOM 254 O VAL A 42 -2.359 1.990 -5.741 1.00 0.00 O ATOM 255 CB VAL A 42 -0.819 1.671 -2.734 1.00 0.00 C ATOM 256 CG1 VAL A 42 -2.275 2.082 -2.480 1.00 0.00 C ATOM 257 CG2 VAL A 42 -0.512 0.398 -1.943 1.00 0.00 C ATOM 0 H VAL A 42 1.382 1.974 -3.636 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.918 0.401 -4.503 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.162 2.480 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.420 2.267 -1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.500 2.989 -3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.941 1.282 -2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.673 0.582 -0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.170 -0.405 -2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.526 0.108 -2.108 1.00 0.00 H new ATOM 267 N ASP A 43 -0.986 3.621 -5.179 1.00 0.00 N ATOM 268 CA ASP A 43 -1.719 4.597 -6.043 1.00 0.00 C ATOM 269 C ASP A 43 -1.582 4.176 -7.508 1.00 0.00 C ATOM 270 O ASP A 43 -2.533 4.211 -8.265 1.00 0.00 O ATOM 271 CB ASP A 43 -1.040 5.948 -5.800 1.00 0.00 C ATOM 272 CG ASP A 43 -1.930 7.073 -6.336 1.00 0.00 C ATOM 273 OD1 ASP A 43 -2.886 7.420 -5.660 1.00 0.00 O ATOM 274 OD2 ASP A 43 -1.640 7.566 -7.413 1.00 0.00 O ATOM 0 H ASP A 43 -0.185 4.002 -4.676 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.783 4.644 -5.813 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.860 6.089 -4.734 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.069 5.972 -6.294 1.00 0.00 H new ATOM 279 N ARG A 44 -0.407 3.748 -7.901 1.00 0.00 N ATOM 280 CA ARG A 44 -0.212 3.291 -9.308 1.00 0.00 C ATOM 281 C ARG A 44 -0.944 1.956 -9.503 1.00 0.00 C ATOM 282 O ARG A 44 -1.516 1.704 -10.542 1.00 0.00 O ATOM 283 CB ARG A 44 1.301 3.129 -9.480 1.00 0.00 C ATOM 284 CG ARG A 44 1.944 4.511 -9.636 1.00 0.00 C ATOM 285 CD ARG A 44 3.088 4.439 -10.649 1.00 0.00 C ATOM 286 NE ARG A 44 3.187 5.812 -11.225 1.00 0.00 N ATOM 287 CZ ARG A 44 3.144 5.980 -12.520 1.00 0.00 C ATOM 288 NH1 ARG A 44 4.143 5.575 -13.260 1.00 0.00 N ATOM 289 NH2 ARG A 44 2.104 6.545 -13.074 1.00 0.00 N ATOM 0 H ARG A 44 0.422 3.696 -7.309 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.610 3.990 -10.043 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.724 2.614 -8.617 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.515 2.515 -10.354 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.198 5.234 -9.967 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.320 4.858 -8.673 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.021 4.145 -10.169 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.882 3.701 -11.424 1.00 0.00 H new ATOM 0 HE ARG A 44 3.288 6.618 -10.609 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.952 5.130 -12.826 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.114 5.704 -14.271 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.324 6.856 -12.495 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.073 6.675 -14.085 1.00 0.00 H new ATOM 303 N LEU A 45 -0.951 1.117 -8.494 1.00 0.00 N ATOM 304 CA LEU A 45 -1.669 -0.193 -8.588 1.00 0.00 C ATOM 305 C LEU A 45 -3.146 0.069 -8.921 1.00 0.00 C ATOM 306 O LEU A 45 -3.758 -0.655 -9.685 1.00 0.00 O ATOM 307 CB LEU A 45 -1.479 -0.825 -7.190 1.00 0.00 C ATOM 308 CG LEU A 45 -2.523 -1.915 -6.876 1.00 0.00 C ATOM 309 CD1 LEU A 45 -3.819 -1.272 -6.383 1.00 0.00 C ATOM 310 CD2 LEU A 45 -2.816 -2.772 -8.113 1.00 0.00 C ATOM 0 H LEU A 45 -0.486 1.286 -7.602 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.296 -0.856 -9.369 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.480 -1.257 -7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.539 -0.043 -6.433 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.114 -2.559 -6.097 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.551 -2.050 -6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.619 -0.697 -5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.213 -0.610 -7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.556 -3.532 -7.862 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.203 -2.139 -8.911 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.898 -3.255 -8.447 1.00 0.00 H new ATOM 322 N ASN A 46 -3.712 1.114 -8.370 1.00 0.00 N ATOM 323 CA ASN A 46 -5.140 1.434 -8.666 1.00 0.00 C ATOM 324 C ASN A 46 -5.281 1.943 -10.103 1.00 0.00 C ATOM 325 O ASN A 46 -6.115 1.474 -10.853 1.00 0.00 O ATOM 326 CB ASN A 46 -5.531 2.537 -7.670 1.00 0.00 C ATOM 327 CG ASN A 46 -5.557 1.987 -6.238 1.00 0.00 C ATOM 328 OD1 ASN A 46 -5.901 0.747 -6.019 1.00 0.00 O flip ATOM 329 ND2 ASN A 46 -5.265 2.703 -5.302 1.00 0.00 N flip ATOM 0 H ASN A 46 -3.247 1.757 -7.729 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.780 0.557 -8.569 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.822 3.362 -7.736 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.511 2.938 -7.929 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.995 3.673 -5.467 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.289 2.335 -4.351 1.00 0.00 H new ATOM 336 N GLU A 47 -4.478 2.905 -10.486 1.00 0.00 N ATOM 337 CA GLU A 47 -4.569 3.460 -11.873 1.00 0.00 C ATOM 338 C GLU A 47 -4.070 2.447 -12.915 1.00 0.00 C ATOM 339 O GLU A 47 -4.581 2.388 -14.019 1.00 0.00 O ATOM 340 CB GLU A 47 -3.685 4.708 -11.864 1.00 0.00 C ATOM 341 CG GLU A 47 -4.562 5.942 -11.630 1.00 0.00 C ATOM 342 CD GLU A 47 -3.690 7.122 -11.202 1.00 0.00 C ATOM 343 OE1 GLU A 47 -3.144 7.777 -12.074 1.00 0.00 O ATOM 344 OE2 GLU A 47 -3.586 7.353 -10.008 1.00 0.00 O ATOM 0 H GLU A 47 -3.762 3.331 -9.897 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.599 3.689 -12.145 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.931 4.629 -11.081 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.153 4.799 -12.811 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.106 6.191 -12.541 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.306 5.730 -10.862 1.00 0.00 H new ATOM 351 N GLN A 48 -3.087 1.648 -12.578 1.00 0.00 N ATOM 352 CA GLN A 48 -2.567 0.640 -13.555 1.00 0.00 C ATOM 353 C GLN A 48 -3.601 -0.473 -13.773 1.00 0.00 C ATOM 354 O GLN A 48 -3.733 -0.998 -14.862 1.00 0.00 O ATOM 355 CB GLN A 48 -1.292 0.076 -12.916 1.00 0.00 C ATOM 356 CG GLN A 48 -0.420 -0.583 -13.991 1.00 0.00 C ATOM 357 CD GLN A 48 0.736 0.352 -14.361 1.00 0.00 C ATOM 358 OE1 GLN A 48 1.864 0.130 -13.964 1.00 0.00 O ATOM 359 NE2 GLN A 48 0.505 1.396 -15.111 1.00 0.00 N ATOM 0 H GLN A 48 -2.623 1.650 -11.670 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.367 1.082 -14.531 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.737 0.875 -12.424 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.551 -0.653 -12.148 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.030 -1.533 -13.625 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.019 -0.804 -14.874 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.440 1.585 -15.445 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.270 2.023 -15.362 1.00 0.00 H new ATOM 368 N SER A 49 -4.336 -0.834 -12.748 1.00 0.00 N ATOM 369 CA SER A 49 -5.358 -1.909 -12.901 1.00 0.00 C ATOM 370 C SER A 49 -6.557 -1.398 -13.703 1.00 0.00 C ATOM 371 O SER A 49 -6.770 -0.207 -13.842 1.00 0.00 O ATOM 372 CB SER A 49 -5.788 -2.266 -11.476 1.00 0.00 C ATOM 373 OG SER A 49 -6.751 -3.314 -11.526 1.00 0.00 O ATOM 0 H SER A 49 -4.270 -0.429 -11.814 1.00 0.00 H new ATOM 0 HA SER A 49 -4.960 -2.771 -13.436 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.924 -2.578 -10.890 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.210 -1.391 -10.981 1.00 0.00 H new ATOM 0 HG SER A 49 -7.028 -3.547 -10.615 1.00 0.00 H new ATOM 379 N SER A 50 -7.348 -2.300 -14.218 1.00 0.00 N ATOM 380 CA SER A 50 -8.550 -1.900 -15.005 1.00 0.00 C ATOM 381 C SER A 50 -9.818 -2.159 -14.178 1.00 0.00 C ATOM 382 O SER A 50 -10.858 -2.509 -14.707 1.00 0.00 O ATOM 383 CB SER A 50 -8.530 -2.788 -16.254 1.00 0.00 C ATOM 384 OG SER A 50 -7.232 -2.765 -16.840 1.00 0.00 O ATOM 0 H SER A 50 -7.211 -3.307 -14.126 1.00 0.00 H new ATOM 0 HA SER A 50 -8.543 -0.842 -15.267 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.802 -3.810 -15.990 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.270 -2.437 -16.973 1.00 0.00 H new ATOM 0 HG SER A 50 -7.223 -3.335 -17.637 1.00 0.00 H new ATOM 390 N GLU A 51 -9.733 -1.991 -12.879 1.00 0.00 N ATOM 391 CA GLU A 51 -10.921 -2.230 -12.004 1.00 0.00 C ATOM 392 C GLU A 51 -11.872 -1.024 -12.041 1.00 0.00 C ATOM 393 O GLU A 51 -11.546 0.023 -12.570 1.00 0.00 O ATOM 394 CB GLU A 51 -10.344 -2.422 -10.596 1.00 0.00 C ATOM 395 CG GLU A 51 -11.038 -3.605 -9.907 1.00 0.00 C ATOM 396 CD GLU A 51 -10.010 -4.687 -9.555 1.00 0.00 C ATOM 397 OE1 GLU A 51 -9.021 -4.362 -8.913 1.00 0.00 O ATOM 398 OE2 GLU A 51 -10.233 -5.828 -9.922 1.00 0.00 O ATOM 0 H GLU A 51 -8.889 -1.698 -12.388 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.502 -3.093 -12.329 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.271 -2.602 -10.654 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.484 -1.514 -10.009 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.543 -3.264 -9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.804 -4.020 -10.563 1.00 0.00 H new ATOM 405 N ALA A 52 -13.046 -1.174 -11.485 1.00 0.00 N ATOM 406 CA ALA A 52 -14.033 -0.052 -11.480 1.00 0.00 C ATOM 407 C ALA A 52 -13.959 0.738 -10.165 1.00 0.00 C ATOM 408 O ALA A 52 -14.292 1.907 -10.123 1.00 0.00 O ATOM 409 CB ALA A 52 -15.402 -0.724 -11.625 1.00 0.00 C ATOM 0 H ALA A 52 -13.366 -2.030 -11.032 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.838 0.661 -12.281 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.182 0.037 -11.630 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.435 -1.284 -12.560 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.564 -1.404 -10.789 1.00 0.00 H new ATOM 415 N ASN A 53 -13.530 0.110 -9.095 1.00 0.00 N ATOM 416 CA ASN A 53 -13.438 0.828 -7.786 1.00 0.00 C ATOM 417 C ASN A 53 -11.972 1.021 -7.382 1.00 0.00 C ATOM 418 O ASN A 53 -11.066 0.475 -7.989 1.00 0.00 O ATOM 419 CB ASN A 53 -14.156 -0.077 -6.779 1.00 0.00 C ATOM 420 CG ASN A 53 -15.655 0.248 -6.747 1.00 0.00 C ATOM 421 OD1 ASN A 53 -16.085 1.275 -7.239 1.00 0.00 O ATOM 422 ND2 ASN A 53 -16.476 -0.592 -6.180 1.00 0.00 N ATOM 0 H ASN A 53 -13.240 -0.868 -9.073 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.886 1.821 -7.834 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.009 -1.123 -7.050 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.726 0.059 -5.787 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.475 -0.387 -6.150 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.119 -1.454 -5.767 1.00 0.00 H new ATOM 429 N LEU A 54 -11.735 1.795 -6.353 1.00 0.00 N ATOM 430 CA LEU A 54 -10.334 2.032 -5.894 1.00 0.00 C ATOM 431 C LEU A 54 -9.964 1.047 -4.779 1.00 0.00 C ATOM 432 O LEU A 54 -10.736 0.798 -3.871 1.00 0.00 O ATOM 433 CB LEU A 54 -10.321 3.472 -5.375 1.00 0.00 C ATOM 434 CG LEU A 54 -10.059 4.434 -6.535 1.00 0.00 C ATOM 435 CD1 LEU A 54 -10.488 5.846 -6.137 1.00 0.00 C ATOM 436 CD2 LEU A 54 -8.567 4.432 -6.875 1.00 0.00 C ATOM 0 H LEU A 54 -12.454 2.274 -5.810 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.608 1.885 -6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.275 3.707 -4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.551 3.587 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.631 4.113 -7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.301 6.530 -6.965 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.551 5.849 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.918 6.167 -5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.381 5.118 -7.702 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.995 4.751 -6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.261 3.426 -7.162 1.00 0.00 H new ATOM 448 N TYR A 55 -8.784 0.486 -4.848 1.00 0.00 N ATOM 449 CA TYR A 55 -8.341 -0.487 -3.808 1.00 0.00 C ATOM 450 C TYR A 55 -7.235 0.134 -2.951 1.00 0.00 C ATOM 451 O TYR A 55 -6.057 -0.075 -3.184 1.00 0.00 O ATOM 452 CB TYR A 55 -7.817 -1.697 -4.591 1.00 0.00 C ATOM 453 CG TYR A 55 -8.946 -2.673 -4.819 1.00 0.00 C ATOM 454 CD1 TYR A 55 -9.456 -3.423 -3.752 1.00 0.00 C ATOM 455 CD2 TYR A 55 -9.486 -2.823 -6.101 1.00 0.00 C ATOM 456 CE1 TYR A 55 -10.507 -4.321 -3.968 1.00 0.00 C ATOM 457 CE2 TYR A 55 -10.534 -3.721 -6.316 1.00 0.00 C ATOM 458 CZ TYR A 55 -11.044 -4.470 -5.252 1.00 0.00 C ATOM 459 OH TYR A 55 -12.076 -5.356 -5.468 1.00 0.00 O ATOM 0 H TYR A 55 -8.104 0.663 -5.587 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.145 -0.769 -3.129 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.402 -1.374 -5.546 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.010 -2.179 -4.039 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.038 -3.308 -2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.093 -2.245 -6.924 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.903 -4.898 -3.146 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.951 -3.837 -7.306 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.331 -5.336 -6.414 1.00 0.00 H new ATOM 469 N ARG A 56 -7.612 0.900 -1.960 1.00 0.00 N ATOM 470 CA ARG A 56 -6.596 1.546 -1.075 1.00 0.00 C ATOM 471 C ARG A 56 -5.926 0.493 -0.185 1.00 0.00 C ATOM 472 O ARG A 56 -6.536 -0.491 0.192 1.00 0.00 O ATOM 473 CB ARG A 56 -7.381 2.548 -0.224 1.00 0.00 C ATOM 474 CG ARG A 56 -6.419 3.582 0.369 1.00 0.00 C ATOM 475 CD ARG A 56 -6.373 3.424 1.892 1.00 0.00 C ATOM 476 NE ARG A 56 -6.349 4.817 2.425 1.00 0.00 N ATOM 477 CZ ARG A 56 -7.427 5.338 2.954 1.00 0.00 C ATOM 478 NH1 ARG A 56 -8.534 5.400 2.259 1.00 0.00 N ATOM 479 NH2 ARG A 56 -7.393 5.803 4.176 1.00 0.00 N ATOM 0 H ARG A 56 -8.583 1.107 -1.725 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.805 2.033 -1.645 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.136 3.046 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.909 2.027 0.575 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.422 3.449 -0.051 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.744 4.589 0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.241 2.876 2.258 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.490 2.867 2.204 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.490 5.365 2.377 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.557 5.042 1.304 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.373 5.806 2.672 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.528 5.759 4.714 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.232 6.209 4.591 1.00 0.00 H new ATOM 493 N LEU A 57 -4.674 0.694 0.147 1.00 0.00 N ATOM 494 CA LEU A 57 -3.948 -0.293 1.007 1.00 0.00 C ATOM 495 C LEU A 57 -4.534 -0.316 2.421 1.00 0.00 C ATOM 496 O LEU A 57 -4.611 0.697 3.093 1.00 0.00 O ATOM 497 CB LEU A 57 -2.496 0.195 1.039 1.00 0.00 C ATOM 498 CG LEU A 57 -1.608 -0.864 1.704 1.00 0.00 C ATOM 499 CD1 LEU A 57 -0.206 -0.806 1.097 1.00 0.00 C ATOM 500 CD2 LEU A 57 -1.518 -0.590 3.208 1.00 0.00 C ATOM 0 H LEU A 57 -4.122 1.502 -0.141 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.032 -1.307 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.146 0.392 0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.430 1.135 1.587 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.040 -1.851 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.426 -1.558 1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.265 -1.001 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.222 0.183 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.887 -1.344 3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.088 0.398 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.516 -0.629 3.645 1.00 0.00 H new ATOM 512 N LEU A 58 -4.930 -1.474 2.877 1.00 0.00 N ATOM 513 CA LEU A 58 -5.493 -1.601 4.249 1.00 0.00 C ATOM 514 C LEU A 58 -4.377 -2.015 5.216 1.00 0.00 C ATOM 515 O LEU A 58 -4.229 -1.455 6.285 1.00 0.00 O ATOM 516 CB LEU A 58 -6.558 -2.696 4.142 1.00 0.00 C ATOM 517 CG LEU A 58 -7.362 -2.751 5.440 1.00 0.00 C ATOM 518 CD1 LEU A 58 -8.428 -1.650 5.427 1.00 0.00 C ATOM 519 CD2 LEU A 58 -8.040 -4.117 5.567 1.00 0.00 C ATOM 0 H LEU A 58 -4.886 -2.346 2.350 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.918 -0.669 4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.220 -2.494 3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.086 -3.660 3.952 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.693 -2.600 6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.002 -1.689 6.353 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.945 -0.677 5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.096 -1.801 4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.613 -4.154 6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.709 -4.271 4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.282 -4.900 5.578 1.00 0.00 H new ATOM 531 N GLU A 59 -3.583 -2.983 4.830 1.00 0.00 N ATOM 532 CA GLU A 59 -2.459 -3.437 5.701 1.00 0.00 C ATOM 533 C GLU A 59 -1.204 -3.677 4.849 1.00 0.00 C ATOM 534 O GLU A 59 -1.286 -4.135 3.724 1.00 0.00 O ATOM 535 CB GLU A 59 -2.943 -4.743 6.341 1.00 0.00 C ATOM 536 CG GLU A 59 -3.284 -4.498 7.817 1.00 0.00 C ATOM 537 CD GLU A 59 -4.720 -4.949 8.097 1.00 0.00 C ATOM 538 OE1 GLU A 59 -5.623 -4.156 7.884 1.00 0.00 O ATOM 539 OE2 GLU A 59 -4.893 -6.080 8.523 1.00 0.00 O ATOM 0 H GLU A 59 -3.667 -3.480 3.943 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.195 -2.698 6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.820 -5.116 5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.171 -5.508 6.258 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.590 -5.044 8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.172 -3.440 8.055 1.00 0.00 H new ATOM 546 N LEU A 60 -0.045 -3.366 5.376 1.00 0.00 N ATOM 547 CA LEU A 60 1.219 -3.568 4.605 1.00 0.00 C ATOM 548 C LEU A 60 2.022 -4.733 5.193 1.00 0.00 C ATOM 549 O LEU A 60 2.038 -4.952 6.391 1.00 0.00 O ATOM 550 CB LEU A 60 1.986 -2.249 4.754 1.00 0.00 C ATOM 551 CG LEU A 60 3.387 -2.376 4.142 1.00 0.00 C ATOM 552 CD1 LEU A 60 3.279 -2.506 2.621 1.00 0.00 C ATOM 553 CD2 LEU A 60 4.204 -1.129 4.490 1.00 0.00 C ATOM 0 H LEU A 60 0.079 -2.979 6.312 1.00 0.00 H new ATOM 0 HA LEU A 60 1.032 -3.815 3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.439 -1.445 4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.065 -1.983 5.808 1.00 0.00 H new ATOM 0 HG LEU A 60 3.878 -3.263 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.277 -2.596 2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.696 -3.393 2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.787 -1.622 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.201 -1.215 4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.708 -0.245 4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.285 -1.038 5.573 1.00 0.00 H new ATOM 565 N ASP A 61 2.689 -5.475 4.348 1.00 0.00 N ATOM 566 CA ASP A 61 3.500 -6.635 4.823 1.00 0.00 C ATOM 567 C ASP A 61 4.984 -6.255 4.922 1.00 0.00 C ATOM 568 O ASP A 61 5.420 -5.267 4.358 1.00 0.00 O ATOM 569 CB ASP A 61 3.296 -7.714 3.754 1.00 0.00 C ATOM 570 CG ASP A 61 4.031 -8.997 4.152 1.00 0.00 C ATOM 571 OD1 ASP A 61 3.794 -9.482 5.248 1.00 0.00 O ATOM 572 OD2 ASP A 61 4.822 -9.472 3.353 1.00 0.00 O ATOM 0 H ASP A 61 2.706 -5.325 3.339 1.00 0.00 H new ATOM 0 HA ASP A 61 3.197 -6.969 5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.232 -7.918 3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.665 -7.358 2.792 1.00 0.00 H new ATOM 577 N GLN A 62 5.759 -7.045 5.624 1.00 0.00 N ATOM 578 CA GLN A 62 7.219 -6.757 5.757 1.00 0.00 C ATOM 579 C GLN A 62 8.028 -7.851 5.040 1.00 0.00 C ATOM 580 O GLN A 62 8.422 -8.832 5.643 1.00 0.00 O ATOM 581 CB GLN A 62 7.494 -6.764 7.264 1.00 0.00 C ATOM 582 CG GLN A 62 8.718 -5.893 7.564 1.00 0.00 C ATOM 583 CD GLN A 62 8.660 -5.405 9.013 1.00 0.00 C ATOM 584 OE1 GLN A 62 8.210 -4.308 9.278 1.00 0.00 O ATOM 585 NE2 GLN A 62 9.095 -6.178 9.970 1.00 0.00 N ATOM 0 H GLN A 62 5.440 -7.881 6.113 1.00 0.00 H new ATOM 0 HA GLN A 62 7.504 -5.805 5.308 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.625 -6.388 7.805 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.667 -7.784 7.608 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.632 -6.464 7.398 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.746 -5.042 6.884 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.473 -7.099 9.749 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.057 -5.861 10.939 1.00 0.00 H new ATOM 594 N PRO A 63 8.230 -7.643 3.761 1.00 0.00 N ATOM 595 CA PRO A 63 8.982 -8.618 2.922 1.00 0.00 C ATOM 596 C PRO A 63 10.491 -8.563 3.216 1.00 0.00 C ATOM 597 O PRO A 63 10.944 -7.739 3.988 1.00 0.00 O ATOM 598 CB PRO A 63 8.692 -8.150 1.497 1.00 0.00 C ATOM 599 CG PRO A 63 8.372 -6.696 1.623 1.00 0.00 C ATOM 600 CD PRO A 63 7.779 -6.485 2.985 1.00 0.00 C ATOM 0 HA PRO A 63 8.685 -9.650 3.107 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.552 -8.310 0.847 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.858 -8.701 1.063 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.271 -6.093 1.498 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.671 -6.388 0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.124 -5.551 3.428 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.691 -6.435 2.942 1.00 0.00 H new ATOM 608 N PRO A 64 11.222 -9.453 2.578 1.00 0.00 N ATOM 609 CA PRO A 64 12.697 -9.511 2.764 1.00 0.00 C ATOM 610 C PRO A 64 13.374 -8.290 2.127 1.00 0.00 C ATOM 611 O PRO A 64 12.889 -7.740 1.155 1.00 0.00 O ATOM 612 CB PRO A 64 13.099 -10.798 2.045 1.00 0.00 C ATOM 613 CG PRO A 64 12.018 -11.033 1.042 1.00 0.00 C ATOM 614 CD PRO A 64 10.751 -10.477 1.632 1.00 0.00 C ATOM 0 HA PRO A 64 12.995 -9.503 3.812 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.070 -10.693 1.561 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.178 -11.632 2.743 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.253 -10.542 0.098 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.912 -12.097 0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.108 -10.046 0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.172 -11.251 2.136 1.00 0.00 H new ATOM 622 N LYS A 65 14.493 -7.870 2.674 1.00 0.00 N ATOM 623 CA LYS A 65 15.228 -6.683 2.125 1.00 0.00 C ATOM 624 C LYS A 65 14.273 -5.496 1.941 1.00 0.00 C ATOM 625 O LYS A 65 14.018 -5.048 0.838 1.00 0.00 O ATOM 626 CB LYS A 65 15.800 -7.143 0.778 1.00 0.00 C ATOM 627 CG LYS A 65 17.075 -7.960 1.009 1.00 0.00 C ATOM 628 CD LYS A 65 16.775 -9.449 0.811 1.00 0.00 C ATOM 629 CE LYS A 65 18.040 -10.270 1.079 1.00 0.00 C ATOM 630 NZ LYS A 65 17.595 -11.694 1.051 1.00 0.00 N ATOM 0 H LYS A 65 14.932 -8.304 3.486 1.00 0.00 H new ATOM 0 HA LYS A 65 16.016 -6.345 2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 65 15.063 -7.744 0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.019 -6.279 0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 65 17.854 -7.641 0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 65 17.453 -7.786 2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.977 -9.762 1.485 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.423 -9.627 -0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 65 18.801 -10.080 0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 65 18.479 -10.013 2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.410 -12.316 1.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.877 -11.848 1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.188 -11.912 0.119 1.00 0.00 H new ATOM 644 N ALA A 66 13.748 -4.987 3.024 1.00 0.00 N ATOM 645 CA ALA A 66 12.809 -3.827 2.936 1.00 0.00 C ATOM 646 C ALA A 66 13.526 -2.513 3.296 1.00 0.00 C ATOM 647 O ALA A 66 12.962 -1.444 3.169 1.00 0.00 O ATOM 648 CB ALA A 66 11.702 -4.134 3.947 1.00 0.00 C ATOM 0 H ALA A 66 13.929 -5.325 3.969 1.00 0.00 H new ATOM 0 HA ALA A 66 12.417 -3.697 1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.970 -3.326 3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.212 -5.069 3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.134 -4.226 4.943 1.00 0.00 H new ATOM 654 N ASP A 67 14.762 -2.579 3.737 1.00 0.00 N ATOM 655 CA ASP A 67 15.503 -1.329 4.092 1.00 0.00 C ATOM 656 C ASP A 67 16.979 -1.454 3.682 1.00 0.00 C ATOM 657 O ASP A 67 17.873 -1.102 4.428 1.00 0.00 O ATOM 658 CB ASP A 67 15.366 -1.201 5.615 1.00 0.00 C ATOM 659 CG ASP A 67 14.580 0.067 5.953 1.00 0.00 C ATOM 660 OD1 ASP A 67 13.363 0.023 5.888 1.00 0.00 O ATOM 661 OD2 ASP A 67 15.210 1.062 6.271 1.00 0.00 O ATOM 0 H ASP A 67 15.287 -3.444 3.865 1.00 0.00 H new ATOM 0 HA ASP A 67 15.108 -0.452 3.578 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.857 -2.076 6.020 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.352 -1.164 6.077 1.00 0.00 H new ATOM 666 N GLU A 68 17.236 -1.953 2.497 1.00 0.00 N ATOM 667 CA GLU A 68 18.648 -2.103 2.029 1.00 0.00 C ATOM 668 C GLU A 68 18.691 -2.303 0.509 1.00 0.00 C ATOM 669 O GLU A 68 17.771 -2.840 -0.076 1.00 0.00 O ATOM 670 CB GLU A 68 19.181 -3.347 2.747 1.00 0.00 C ATOM 671 CG GLU A 68 20.495 -3.008 3.456 1.00 0.00 C ATOM 672 CD GLU A 68 21.637 -2.965 2.436 1.00 0.00 C ATOM 673 OE1 GLU A 68 22.184 -4.016 2.144 1.00 0.00 O ATOM 674 OE2 GLU A 68 21.947 -1.883 1.966 1.00 0.00 O ATOM 0 H GLU A 68 16.527 -2.263 1.833 1.00 0.00 H new ATOM 0 HA GLU A 68 19.245 -1.218 2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.448 -3.704 3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.340 -4.153 2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.409 -2.046 3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.708 -3.752 4.223 1.00 0.00 H new ATOM 681 N ASP A 69 19.761 -1.873 -0.125 1.00 0.00 N ATOM 682 CA ASP A 69 19.901 -2.024 -1.615 1.00 0.00 C ATOM 683 C ASP A 69 18.732 -1.332 -2.338 1.00 0.00 C ATOM 684 O ASP A 69 17.820 -1.981 -2.814 1.00 0.00 O ATOM 685 CB ASP A 69 19.899 -3.538 -1.887 1.00 0.00 C ATOM 686 CG ASP A 69 20.875 -4.248 -0.945 1.00 0.00 C ATOM 687 OD1 ASP A 69 22.069 -4.037 -1.088 1.00 0.00 O ATOM 688 OD2 ASP A 69 20.408 -4.994 -0.101 1.00 0.00 O ATOM 0 H ASP A 69 20.552 -1.419 0.331 1.00 0.00 H new ATOM 0 HA ASP A 69 20.815 -1.559 -1.983 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.894 -3.938 -1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 69 20.179 -3.729 -2.923 1.00 0.00 H new ATOM 693 N PRO A 70 18.799 -0.021 -2.380 1.00 0.00 N ATOM 694 CA PRO A 70 17.732 0.791 -3.028 1.00 0.00 C ATOM 695 C PRO A 70 17.798 0.708 -4.563 1.00 0.00 C ATOM 696 O PRO A 70 16.779 0.703 -5.231 1.00 0.00 O ATOM 697 CB PRO A 70 18.025 2.211 -2.549 1.00 0.00 C ATOM 698 CG PRO A 70 19.485 2.223 -2.219 1.00 0.00 C ATOM 699 CD PRO A 70 19.872 0.817 -1.832 1.00 0.00 C ATOM 0 HA PRO A 70 16.733 0.443 -2.767 1.00 0.00 H new ATOM 0 HB2 PRO A 70 17.790 2.943 -3.322 1.00 0.00 H new ATOM 0 HB3 PRO A 70 17.422 2.464 -1.677 1.00 0.00 H new ATOM 0 HG2 PRO A 70 20.069 2.560 -3.075 1.00 0.00 H new ATOM 0 HG3 PRO A 70 19.688 2.916 -1.402 1.00 0.00 H new ATOM 0 HD2 PRO A 70 20.842 0.543 -2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 70 19.947 0.709 -0.750 1.00 0.00 H new ATOM 707 N GLY A 71 18.983 0.648 -5.128 1.00 0.00 N ATOM 708 CA GLY A 71 19.108 0.570 -6.617 1.00 0.00 C ATOM 709 C GLY A 71 18.421 -0.700 -7.129 1.00 0.00 C ATOM 710 O GLY A 71 17.717 -0.679 -8.121 1.00 0.00 O ATOM 0 H GLY A 71 19.868 0.650 -4.620 1.00 0.00 H new ATOM 0 HA2 GLY A 71 18.656 1.449 -7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 71 20.160 0.566 -6.903 1.00 0.00 H new ATOM 714 N THR A 72 18.625 -1.802 -6.454 1.00 0.00 N ATOM 715 CA THR A 72 17.997 -3.091 -6.877 1.00 0.00 C ATOM 716 C THR A 72 16.481 -3.067 -6.611 1.00 0.00 C ATOM 717 O THR A 72 15.980 -2.179 -5.945 1.00 0.00 O ATOM 718 CB THR A 72 18.682 -4.182 -6.031 1.00 0.00 C ATOM 719 OG1 THR A 72 19.479 -3.589 -5.011 1.00 0.00 O ATOM 720 CG2 THR A 72 19.567 -5.047 -6.933 1.00 0.00 C ATOM 0 H THR A 72 19.206 -1.865 -5.618 1.00 0.00 H new ATOM 0 HA THR A 72 18.125 -3.272 -7.944 1.00 0.00 H new ATOM 0 HB THR A 72 17.915 -4.801 -5.565 1.00 0.00 H new ATOM 0 HG1 THR A 72 18.898 -3.141 -4.361 1.00 0.00 H new ATOM 0 HG21 THR A 72 20.052 -5.819 -6.335 1.00 0.00 H new ATOM 0 HG22 THR A 72 18.954 -5.516 -7.703 1.00 0.00 H new ATOM 0 HG23 THR A 72 20.326 -4.423 -7.404 1.00 0.00 H new ATOM 728 N PRO A 73 15.796 -4.052 -7.149 1.00 0.00 N ATOM 729 CA PRO A 73 14.321 -4.148 -6.974 1.00 0.00 C ATOM 730 C PRO A 73 13.960 -4.486 -5.522 1.00 0.00 C ATOM 731 O PRO A 73 14.661 -5.220 -4.851 1.00 0.00 O ATOM 732 CB PRO A 73 13.920 -5.282 -7.917 1.00 0.00 C ATOM 733 CG PRO A 73 15.156 -6.107 -8.070 1.00 0.00 C ATOM 734 CD PRO A 73 16.322 -5.162 -7.959 1.00 0.00 C ATOM 0 HA PRO A 73 13.807 -3.213 -7.195 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.101 -5.870 -7.503 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.581 -4.896 -8.878 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.206 -6.876 -7.299 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.163 -6.619 -9.032 1.00 0.00 H new ATOM 0 HD2 PRO A 73 17.178 -5.637 -7.480 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.655 -4.820 -8.939 1.00 0.00 H new ATOM 742 N LYS A 74 12.870 -3.951 -5.039 1.00 0.00 N ATOM 743 CA LYS A 74 12.436 -4.221 -3.642 1.00 0.00 C ATOM 744 C LYS A 74 11.100 -4.963 -3.656 1.00 0.00 C ATOM 745 O LYS A 74 10.131 -4.472 -4.205 1.00 0.00 O ATOM 746 CB LYS A 74 12.268 -2.841 -3.004 1.00 0.00 C ATOM 747 CG LYS A 74 12.592 -2.921 -1.510 1.00 0.00 C ATOM 748 CD LYS A 74 13.673 -1.893 -1.170 1.00 0.00 C ATOM 749 CE LYS A 74 15.036 -2.587 -1.087 1.00 0.00 C ATOM 750 NZ LYS A 74 15.432 -2.858 -2.501 1.00 0.00 N ATOM 0 H LYS A 74 12.255 -3.329 -5.564 1.00 0.00 H new ATOM 0 HA LYS A 74 13.149 -4.837 -3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.927 -2.122 -3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.247 -2.486 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.695 -2.730 -0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.934 -3.924 -1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.697 -1.112 -1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.442 -1.408 -0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.769 -1.953 -0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.971 -3.512 -0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.467 -2.808 -2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.107 -3.807 -2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.998 -2.148 -3.125 1.00 0.00 H new ATOM 764 N PRO A 75 11.086 -6.122 -3.051 1.00 0.00 N ATOM 765 CA PRO A 75 9.844 -6.925 -2.998 1.00 0.00 C ATOM 766 C PRO A 75 8.830 -6.240 -2.079 1.00 0.00 C ATOM 767 O PRO A 75 9.081 -6.031 -0.910 1.00 0.00 O ATOM 768 CB PRO A 75 10.306 -8.268 -2.435 1.00 0.00 C ATOM 769 CG PRO A 75 11.552 -7.954 -1.673 1.00 0.00 C ATOM 770 CD PRO A 75 12.201 -6.787 -2.365 1.00 0.00 C ATOM 0 HA PRO A 75 9.349 -7.040 -3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.547 -8.708 -1.788 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.500 -8.985 -3.232 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.320 -7.709 -0.637 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.221 -8.814 -1.655 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.688 -6.120 -1.653 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.966 -7.114 -3.069 1.00 0.00 H new ATOM 778 N VAL A 76 7.699 -5.871 -2.613 1.00 0.00 N ATOM 779 CA VAL A 76 6.658 -5.180 -1.793 1.00 0.00 C ATOM 780 C VAL A 76 5.393 -6.040 -1.723 1.00 0.00 C ATOM 781 O VAL A 76 5.036 -6.714 -2.672 1.00 0.00 O ATOM 782 CB VAL A 76 6.362 -3.861 -2.522 1.00 0.00 C ATOM 783 CG1 VAL A 76 5.711 -2.875 -1.553 1.00 0.00 C ATOM 784 CG2 VAL A 76 7.660 -3.247 -3.061 1.00 0.00 C ATOM 0 H VAL A 76 7.447 -6.019 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 76 6.995 -5.007 -0.771 1.00 0.00 H new ATOM 0 HB VAL A 76 5.689 -4.066 -3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.502 -1.940 -2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.780 -3.297 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.387 -2.684 -0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.434 -2.313 -3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.341 -3.050 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.129 -3.941 -3.759 1.00 0.00 H new ATOM 794 N SER A 77 4.710 -6.012 -0.611 1.00 0.00 N ATOM 795 CA SER A 77 3.463 -6.820 -0.475 1.00 0.00 C ATOM 796 C SER A 77 2.494 -6.133 0.493 1.00 0.00 C ATOM 797 O SER A 77 2.885 -5.645 1.536 1.00 0.00 O ATOM 798 CB SER A 77 3.923 -8.172 0.079 1.00 0.00 C ATOM 799 OG SER A 77 4.440 -8.965 -0.986 1.00 0.00 O ATOM 0 H SER A 77 4.962 -5.463 0.211 1.00 0.00 H new ATOM 0 HA SER A 77 2.935 -6.933 -1.422 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.687 -8.024 0.842 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.089 -8.685 0.558 1.00 0.00 H new ATOM 0 HG SER A 77 4.634 -8.391 -1.757 1.00 0.00 H new ATOM 805 N PHE A 78 1.229 -6.087 0.150 1.00 0.00 N ATOM 806 CA PHE A 78 0.228 -5.430 1.048 1.00 0.00 C ATOM 807 C PHE A 78 -1.196 -5.837 0.663 1.00 0.00 C ATOM 808 O PHE A 78 -1.443 -6.364 -0.405 1.00 0.00 O ATOM 809 CB PHE A 78 0.411 -3.914 0.863 1.00 0.00 C ATOM 810 CG PHE A 78 0.489 -3.553 -0.606 1.00 0.00 C ATOM 811 CD1 PHE A 78 -0.684 -3.417 -1.359 1.00 0.00 C ATOM 812 CD2 PHE A 78 1.734 -3.341 -1.209 1.00 0.00 C ATOM 813 CE1 PHE A 78 -0.612 -3.069 -2.712 1.00 0.00 C ATOM 814 CE2 PHE A 78 1.807 -2.997 -2.564 1.00 0.00 C ATOM 815 CZ PHE A 78 0.634 -2.860 -3.315 1.00 0.00 C ATOM 0 H PHE A 78 0.847 -6.476 -0.712 1.00 0.00 H new ATOM 0 HA PHE A 78 0.380 -5.729 2.085 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.420 -3.384 1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.320 -3.589 1.370 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.645 -3.581 -0.895 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.639 -3.443 -0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.517 -2.962 -3.291 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.768 -2.837 -3.030 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.690 -2.593 -4.360 1.00 0.00 H new ATOM 825 N THR A 79 -2.132 -5.574 1.531 1.00 0.00 N ATOM 826 CA THR A 79 -3.551 -5.917 1.242 1.00 0.00 C ATOM 827 C THR A 79 -4.339 -4.636 0.974 1.00 0.00 C ATOM 828 O THR A 79 -4.182 -3.649 1.663 1.00 0.00 O ATOM 829 CB THR A 79 -4.070 -6.630 2.498 1.00 0.00 C ATOM 830 OG1 THR A 79 -3.685 -5.903 3.661 1.00 0.00 O ATOM 831 CG2 THR A 79 -3.494 -8.048 2.557 1.00 0.00 C ATOM 0 H THR A 79 -1.973 -5.132 2.436 1.00 0.00 H new ATOM 0 HA THR A 79 -3.656 -6.552 0.362 1.00 0.00 H new ATOM 0 HB THR A 79 -5.158 -6.684 2.458 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.270 -6.513 4.306 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.863 -8.554 3.449 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.803 -8.603 1.671 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.406 -7.997 2.592 1.00 0.00 H new ATOM 839 N VAL A 80 -5.181 -4.647 -0.026 1.00 0.00 N ATOM 840 CA VAL A 80 -5.984 -3.426 -0.348 1.00 0.00 C ATOM 841 C VAL A 80 -7.482 -3.754 -0.297 1.00 0.00 C ATOM 842 O VAL A 80 -7.888 -4.874 -0.539 1.00 0.00 O ATOM 843 CB VAL A 80 -5.550 -2.997 -1.761 1.00 0.00 C ATOM 844 CG1 VAL A 80 -4.070 -2.599 -1.745 1.00 0.00 C ATOM 845 CG2 VAL A 80 -5.753 -4.147 -2.754 1.00 0.00 C ATOM 0 H VAL A 80 -5.349 -5.448 -0.635 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.815 -2.622 0.369 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.159 -2.148 -2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.764 -2.295 -2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.924 -1.769 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.468 -3.449 -1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.442 -3.828 -3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.156 -5.005 -2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.806 -4.427 -2.776 1.00 0.00 H new ATOM 855 N LYS A 81 -8.301 -2.786 0.030 1.00 0.00 N ATOM 856 CA LYS A 81 -9.775 -3.034 0.119 1.00 0.00 C ATOM 857 C LYS A 81 -10.541 -2.030 -0.757 1.00 0.00 C ATOM 858 O LYS A 81 -10.047 -0.965 -1.077 1.00 0.00 O ATOM 859 CB LYS A 81 -10.108 -2.847 1.611 1.00 0.00 C ATOM 860 CG LYS A 81 -11.596 -2.525 1.801 1.00 0.00 C ATOM 861 CD LYS A 81 -12.117 -3.233 3.053 1.00 0.00 C ATOM 862 CE LYS A 81 -13.030 -4.388 2.634 1.00 0.00 C ATOM 863 NZ LYS A 81 -12.939 -5.386 3.738 1.00 0.00 N ATOM 0 H LYS A 81 -8.012 -1.831 0.240 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.059 -4.024 -0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.854 -3.753 2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.501 -2.042 2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.737 -1.448 1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.163 -2.846 0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.283 -3.609 3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.664 -2.531 3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.056 -4.047 2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.707 -4.820 1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.910 -6.345 3.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.074 -5.215 4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.769 -5.295 4.358 1.00 0.00 H new ATOM 877 N GLU A 82 -11.746 -2.372 -1.147 1.00 0.00 N ATOM 878 CA GLU A 82 -12.560 -1.451 -2.002 1.00 0.00 C ATOM 879 C GLU A 82 -12.998 -0.210 -1.206 1.00 0.00 C ATOM 880 O GLU A 82 -13.557 -0.313 -0.130 1.00 0.00 O ATOM 881 CB GLU A 82 -13.783 -2.276 -2.427 1.00 0.00 C ATOM 882 CG GLU A 82 -13.801 -2.422 -3.953 1.00 0.00 C ATOM 883 CD GLU A 82 -14.731 -3.572 -4.362 1.00 0.00 C ATOM 884 OE1 GLU A 82 -14.671 -4.617 -3.732 1.00 0.00 O ATOM 885 OE2 GLU A 82 -15.481 -3.392 -5.311 1.00 0.00 O ATOM 0 H GLU A 82 -12.202 -3.253 -0.909 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.993 -1.086 -2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.751 -3.259 -1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.698 -1.790 -2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -14.137 -1.492 -4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.792 -2.612 -4.320 1.00 0.00 H new ATOM 892 N THR A 83 -12.752 0.962 -1.739 1.00 0.00 N ATOM 893 CA THR A 83 -13.157 2.223 -1.032 1.00 0.00 C ATOM 894 C THR A 83 -14.550 2.672 -1.492 1.00 0.00 C ATOM 895 O THR A 83 -15.112 2.129 -2.425 1.00 0.00 O ATOM 896 CB THR A 83 -12.111 3.274 -1.429 1.00 0.00 C ATOM 897 OG1 THR A 83 -11.912 3.245 -2.838 1.00 0.00 O ATOM 898 CG2 THR A 83 -10.791 2.983 -0.717 1.00 0.00 C ATOM 0 H THR A 83 -12.287 1.103 -2.636 1.00 0.00 H new ATOM 0 HA THR A 83 -13.202 2.079 0.047 1.00 0.00 H new ATOM 0 HB THR A 83 -12.467 4.262 -1.136 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.695 3.628 -3.287 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.051 3.731 -1.002 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.944 3.016 0.362 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.434 1.993 -1.002 1.00 0.00 H new ATOM 906 N VAL A 84 -15.104 3.671 -0.849 1.00 0.00 N ATOM 907 CA VAL A 84 -16.458 4.168 -1.255 1.00 0.00 C ATOM 908 C VAL A 84 -16.376 4.919 -2.594 1.00 0.00 C ATOM 909 O VAL A 84 -17.369 5.088 -3.276 1.00 0.00 O ATOM 910 CB VAL A 84 -16.923 5.113 -0.132 1.00 0.00 C ATOM 911 CG1 VAL A 84 -16.935 4.369 1.207 1.00 0.00 C ATOM 912 CG2 VAL A 84 -15.982 6.321 -0.036 1.00 0.00 C ATOM 0 H VAL A 84 -14.680 4.163 -0.063 1.00 0.00 H new ATOM 0 HA VAL A 84 -17.158 3.344 -1.393 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.931 5.460 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.265 5.045 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -17.618 3.521 1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -15.931 4.011 1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -16.320 6.983 0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -14.971 5.978 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.986 6.862 -0.983 1.00 0.00 H new ATOM 922 N CYS A 85 -15.205 5.375 -2.973 1.00 0.00 N ATOM 923 CA CYS A 85 -15.066 6.120 -4.260 1.00 0.00 C ATOM 924 C CYS A 85 -14.730 5.167 -5.414 1.00 0.00 C ATOM 925 O CYS A 85 -13.906 4.283 -5.267 1.00 0.00 O ATOM 926 CB CYS A 85 -13.912 7.094 -4.037 1.00 0.00 C ATOM 927 SG CYS A 85 -14.522 8.571 -3.190 1.00 0.00 S ATOM 0 H CYS A 85 -14.340 5.262 -2.444 1.00 0.00 H new ATOM 0 HA CYS A 85 -15.993 6.627 -4.528 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -13.131 6.619 -3.444 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -13.465 7.369 -4.992 1.00 0.00 H new ATOM 932 N PRO A 86 -15.374 5.396 -6.535 1.00 0.00 N ATOM 933 CA PRO A 86 -15.131 4.567 -7.736 1.00 0.00 C ATOM 934 C PRO A 86 -13.878 5.057 -8.478 1.00 0.00 C ATOM 935 O PRO A 86 -13.404 6.156 -8.257 1.00 0.00 O ATOM 936 CB PRO A 86 -16.379 4.792 -8.583 1.00 0.00 C ATOM 937 CG PRO A 86 -16.914 6.129 -8.163 1.00 0.00 C ATOM 938 CD PRO A 86 -16.384 6.434 -6.782 1.00 0.00 C ATOM 0 HA PRO A 86 -14.960 3.516 -7.504 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -16.139 4.782 -9.646 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -17.114 4.005 -8.415 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -16.606 6.901 -8.868 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.004 6.118 -8.159 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -15.947 7.431 -6.737 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -17.178 6.400 -6.036 1.00 0.00 H new ATOM 946 N ARG A 87 -13.350 4.254 -9.362 1.00 0.00 N ATOM 947 CA ARG A 87 -12.138 4.666 -10.130 1.00 0.00 C ATOM 948 C ARG A 87 -12.544 5.087 -11.554 1.00 0.00 C ATOM 949 O ARG A 87 -13.385 4.446 -12.156 1.00 0.00 O ATOM 950 CB ARG A 87 -11.261 3.408 -10.171 1.00 0.00 C ATOM 951 CG ARG A 87 -9.807 3.763 -9.849 1.00 0.00 C ATOM 952 CD ARG A 87 -9.085 4.198 -11.130 1.00 0.00 C ATOM 953 NE ARG A 87 -8.176 3.066 -11.463 1.00 0.00 N ATOM 954 CZ ARG A 87 -8.289 2.447 -12.605 1.00 0.00 C ATOM 955 NH1 ARG A 87 -9.219 1.543 -12.763 1.00 0.00 N ATOM 956 NH2 ARG A 87 -7.473 2.731 -13.587 1.00 0.00 N ATOM 0 H ARG A 87 -13.707 3.325 -9.587 1.00 0.00 H new ATOM 0 HA ARG A 87 -11.619 5.513 -9.680 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.631 2.675 -9.454 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.320 2.947 -11.157 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.773 4.564 -9.111 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.301 2.903 -9.409 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.793 4.387 -11.937 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.526 5.121 -10.974 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.462 2.774 -10.795 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.853 1.324 -11.995 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.311 1.056 -13.655 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.748 3.437 -13.460 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.562 2.246 -14.480 1.00 0.00 H new ATOM 970 N PRO A 88 -11.934 6.138 -12.070 1.00 0.00 N ATOM 971 CA PRO A 88 -10.908 6.919 -11.333 1.00 0.00 C ATOM 972 C PRO A 88 -11.553 8.080 -10.556 1.00 0.00 C ATOM 973 O PRO A 88 -12.451 8.740 -11.045 1.00 0.00 O ATOM 974 CB PRO A 88 -10.029 7.463 -12.455 1.00 0.00 C ATOM 975 CG PRO A 88 -10.904 7.512 -13.678 1.00 0.00 C ATOM 976 CD PRO A 88 -12.142 6.684 -13.412 1.00 0.00 C ATOM 0 HA PRO A 88 -10.367 6.326 -10.596 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -9.648 8.454 -12.207 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.164 6.821 -12.619 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -11.178 8.542 -13.907 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -10.367 7.125 -14.544 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -13.045 7.293 -13.457 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.255 5.890 -14.151 1.00 0.00 H new ATOM 984 N THR A 89 -11.082 8.354 -9.361 1.00 0.00 N ATOM 985 CA THR A 89 -11.650 9.492 -8.572 1.00 0.00 C ATOM 986 C THR A 89 -10.783 10.743 -8.796 1.00 0.00 C ATOM 987 O THR A 89 -9.631 10.640 -9.177 1.00 0.00 O ATOM 988 CB THR A 89 -11.595 9.035 -7.101 1.00 0.00 C ATOM 989 OG1 THR A 89 -12.707 8.196 -6.828 1.00 0.00 O ATOM 990 CG2 THR A 89 -11.641 10.243 -6.159 1.00 0.00 C ATOM 0 H THR A 89 -10.331 7.840 -8.900 1.00 0.00 H new ATOM 0 HA THR A 89 -12.669 9.746 -8.865 1.00 0.00 H new ATOM 0 HB THR A 89 -10.663 8.493 -6.939 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.774 7.506 -7.520 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.601 9.900 -5.125 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.789 10.893 -6.359 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.566 10.797 -6.322 1.00 0.00 H new ATOM 998 N ARG A 90 -11.324 11.919 -8.562 1.00 0.00 N ATOM 999 CA ARG A 90 -10.522 13.172 -8.757 1.00 0.00 C ATOM 1000 C ARG A 90 -9.224 13.085 -7.945 1.00 0.00 C ATOM 1001 O ARG A 90 -8.140 13.262 -8.468 1.00 0.00 O ATOM 1002 CB ARG A 90 -11.407 14.313 -8.241 1.00 0.00 C ATOM 1003 CG ARG A 90 -11.976 15.100 -9.425 1.00 0.00 C ATOM 1004 CD ARG A 90 -13.105 14.298 -10.083 1.00 0.00 C ATOM 1005 NE ARG A 90 -14.214 15.275 -10.276 1.00 0.00 N ATOM 1006 CZ ARG A 90 -15.273 15.223 -9.513 1.00 0.00 C ATOM 1007 NH1 ARG A 90 -16.227 14.370 -9.778 1.00 0.00 N ATOM 1008 NH2 ARG A 90 -15.375 16.024 -8.483 1.00 0.00 N ATOM 0 H ARG A 90 -12.283 12.064 -8.246 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.244 13.327 -9.800 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -12.219 13.911 -7.635 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.826 14.974 -7.598 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.352 16.065 -9.086 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.189 15.302 -10.152 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.784 13.873 -11.034 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.418 13.466 -9.452 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.146 15.985 -11.005 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -16.144 13.745 -10.580 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -17.054 14.329 -9.183 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.628 16.688 -8.277 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.201 15.985 -7.886 1.00 0.00 H new ATOM 1022 N GLN A 91 -9.332 12.794 -6.673 1.00 0.00 N ATOM 1023 CA GLN A 91 -8.120 12.669 -5.816 1.00 0.00 C ATOM 1024 C GLN A 91 -7.777 11.178 -5.624 1.00 0.00 C ATOM 1025 O GLN A 91 -8.442 10.321 -6.178 1.00 0.00 O ATOM 1026 CB GLN A 91 -8.510 13.333 -4.488 1.00 0.00 C ATOM 1027 CG GLN A 91 -7.789 14.679 -4.359 1.00 0.00 C ATOM 1028 CD GLN A 91 -8.727 15.811 -4.793 1.00 0.00 C ATOM 1029 OE1 GLN A 91 -9.166 15.850 -5.925 1.00 0.00 O ATOM 1030 NE2 GLN A 91 -9.053 16.741 -3.939 1.00 0.00 N ATOM 0 H GLN A 91 -10.217 12.637 -6.190 1.00 0.00 H new ATOM 0 HA GLN A 91 -7.237 13.140 -6.249 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.589 13.481 -4.446 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -8.244 12.685 -3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -7.469 14.834 -3.329 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.890 14.682 -4.976 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.686 16.711 -2.988 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -9.675 17.498 -4.222 1.00 0.00 H new ATOM 1039 N PRO A 92 -6.747 10.911 -4.850 1.00 0.00 N ATOM 1040 CA PRO A 92 -6.322 9.502 -4.598 1.00 0.00 C ATOM 1041 C PRO A 92 -7.372 8.739 -3.766 1.00 0.00 C ATOM 1042 O PRO A 92 -8.295 9.332 -3.237 1.00 0.00 O ATOM 1043 CB PRO A 92 -5.012 9.662 -3.823 1.00 0.00 C ATOM 1044 CG PRO A 92 -5.100 11.013 -3.194 1.00 0.00 C ATOM 1045 CD PRO A 92 -5.889 11.873 -4.142 1.00 0.00 C ATOM 0 HA PRO A 92 -6.207 8.924 -5.515 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.901 8.882 -3.070 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.150 9.590 -4.486 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.589 10.957 -2.222 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.106 11.429 -3.028 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -6.478 12.620 -3.610 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.238 12.412 -4.830 1.00 0.00 H new ATOM 1053 N PRO A 93 -7.185 7.438 -3.678 1.00 0.00 N ATOM 1054 CA PRO A 93 -8.121 6.576 -2.897 1.00 0.00 C ATOM 1055 C PRO A 93 -8.035 6.890 -1.394 1.00 0.00 C ATOM 1056 O PRO A 93 -9.004 6.742 -0.669 1.00 0.00 O ATOM 1057 CB PRO A 93 -7.635 5.158 -3.197 1.00 0.00 C ATOM 1058 CG PRO A 93 -6.201 5.322 -3.581 1.00 0.00 C ATOM 1059 CD PRO A 93 -6.102 6.649 -4.283 1.00 0.00 C ATOM 0 HA PRO A 93 -9.166 6.729 -3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.740 4.511 -2.326 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.211 4.704 -4.003 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.558 5.298 -2.701 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.878 4.511 -4.234 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.129 7.115 -4.125 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.235 6.544 -5.360 1.00 0.00 H new ATOM 1067 N GLU A 94 -6.890 7.332 -0.927 1.00 0.00 N ATOM 1068 CA GLU A 94 -6.738 7.676 0.522 1.00 0.00 C ATOM 1069 C GLU A 94 -7.677 8.836 0.881 1.00 0.00 C ATOM 1070 O GLU A 94 -8.270 8.859 1.944 1.00 0.00 O ATOM 1071 CB GLU A 94 -5.266 8.090 0.676 1.00 0.00 C ATOM 1072 CG GLU A 94 -5.052 8.820 2.012 1.00 0.00 C ATOM 1073 CD GLU A 94 -4.958 10.333 1.770 1.00 0.00 C ATOM 1074 OE1 GLU A 94 -4.134 10.737 0.966 1.00 0.00 O ATOM 1075 OE2 GLU A 94 -5.711 11.062 2.396 1.00 0.00 O ATOM 0 H GLU A 94 -6.051 7.469 -1.491 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.993 6.847 1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.627 7.208 0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.975 8.738 -0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.876 8.602 2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.140 8.462 2.490 1.00 0.00 H new ATOM 1082 N LEU A 95 -7.813 9.791 -0.008 1.00 0.00 N ATOM 1083 CA LEU A 95 -8.710 10.962 0.248 1.00 0.00 C ATOM 1084 C LEU A 95 -10.167 10.513 0.455 1.00 0.00 C ATOM 1085 O LEU A 95 -10.954 11.215 1.061 1.00 0.00 O ATOM 1086 CB LEU A 95 -8.593 11.824 -1.017 1.00 0.00 C ATOM 1087 CG LEU A 95 -9.586 12.991 -0.953 1.00 0.00 C ATOM 1088 CD1 LEU A 95 -8.846 14.310 -1.193 1.00 0.00 C ATOM 1089 CD2 LEU A 95 -10.659 12.803 -2.030 1.00 0.00 C ATOM 0 H LEU A 95 -7.336 9.809 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.425 11.500 1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.577 12.206 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.790 11.216 -1.900 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.055 13.015 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -9.554 15.138 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.082 14.443 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.375 14.289 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -11.367 13.631 -1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.188 12.779 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.187 11.865 -1.858 1.00 0.00 H new ATOM 1101 N CYS A 96 -10.536 9.361 -0.054 1.00 0.00 N ATOM 1102 CA CYS A 96 -11.945 8.888 0.105 1.00 0.00 C ATOM 1103 C CYS A 96 -12.085 7.929 1.296 1.00 0.00 C ATOM 1104 O CYS A 96 -11.119 7.571 1.944 1.00 0.00 O ATOM 1105 CB CYS A 96 -12.274 8.179 -1.209 1.00 0.00 C ATOM 1106 SG CYS A 96 -12.854 9.400 -2.412 1.00 0.00 S ATOM 0 H CYS A 96 -9.923 8.731 -0.571 1.00 0.00 H new ATOM 0 HA CYS A 96 -12.626 9.714 0.309 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -11.391 7.665 -1.590 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -13.039 7.420 -1.045 1.00 0.00 H new ATOM 1111 N ASP A 97 -13.299 7.525 1.590 1.00 0.00 N ATOM 1112 CA ASP A 97 -13.544 6.601 2.743 1.00 0.00 C ATOM 1113 C ASP A 97 -13.140 5.157 2.399 1.00 0.00 C ATOM 1114 O ASP A 97 -12.393 4.911 1.470 1.00 0.00 O ATOM 1115 CB ASP A 97 -15.054 6.692 3.002 1.00 0.00 C ATOM 1116 CG ASP A 97 -15.334 6.530 4.498 1.00 0.00 C ATOM 1117 OD1 ASP A 97 -15.234 7.514 5.210 1.00 0.00 O ATOM 1118 OD2 ASP A 97 -15.643 5.422 4.906 1.00 0.00 O ATOM 0 H ASP A 97 -14.137 7.798 1.076 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.954 6.879 3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -15.435 7.652 2.653 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.576 5.918 2.439 1.00 0.00 H new ATOM 1123 N PHE A 98 -13.633 4.208 3.158 1.00 0.00 N ATOM 1124 CA PHE A 98 -13.298 2.775 2.920 1.00 0.00 C ATOM 1125 C PHE A 98 -14.558 1.913 3.071 1.00 0.00 C ATOM 1126 O PHE A 98 -15.276 2.026 4.047 1.00 0.00 O ATOM 1127 CB PHE A 98 -12.298 2.431 4.028 1.00 0.00 C ATOM 1128 CG PHE A 98 -11.045 1.808 3.451 1.00 0.00 C ATOM 1129 CD1 PHE A 98 -11.112 0.992 2.314 1.00 0.00 C ATOM 1130 CD2 PHE A 98 -9.811 2.044 4.068 1.00 0.00 C ATOM 1131 CE1 PHE A 98 -9.945 0.416 1.799 1.00 0.00 C ATOM 1132 CE2 PHE A 98 -8.646 1.465 3.554 1.00 0.00 C ATOM 1133 CZ PHE A 98 -8.714 0.652 2.418 1.00 0.00 C ATOM 0 H PHE A 98 -14.263 4.372 3.943 1.00 0.00 H new ATOM 0 HA PHE A 98 -12.898 2.597 1.922 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -12.038 3.333 4.582 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -12.758 1.743 4.737 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -12.063 0.808 1.836 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.758 2.675 4.943 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -9.996 -0.212 0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.695 1.646 4.034 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.815 0.206 2.019 1.00 0.00 H new ATOM 1143 N LYS A 99 -14.828 1.042 2.130 1.00 0.00 N ATOM 1144 CA LYS A 99 -16.038 0.169 2.254 1.00 0.00 C ATOM 1145 C LYS A 99 -15.652 -1.150 2.917 1.00 0.00 C ATOM 1146 O LYS A 99 -14.933 -1.949 2.346 1.00 0.00 O ATOM 1147 CB LYS A 99 -16.535 -0.108 0.831 1.00 0.00 C ATOM 1148 CG LYS A 99 -17.045 1.183 0.191 1.00 0.00 C ATOM 1149 CD LYS A 99 -17.700 0.862 -1.158 1.00 0.00 C ATOM 1150 CE LYS A 99 -19.108 0.294 -0.930 1.00 0.00 C ATOM 1151 NZ LYS A 99 -20.044 1.415 -1.240 1.00 0.00 N ATOM 0 H LYS A 99 -14.269 0.898 1.289 1.00 0.00 H new ATOM 0 HA LYS A 99 -16.808 0.652 2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -15.727 -0.526 0.230 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -17.332 -0.851 0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -17.765 1.668 0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -16.220 1.882 0.050 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -17.756 1.763 -1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -17.092 0.142 -1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -19.295 -0.564 -1.576 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -19.232 -0.048 0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -21.025 1.096 -1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -19.850 2.215 -0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -19.911 1.716 -2.227 1.00 0.00 H new ATOM 1165 N GLU A 100 -16.131 -1.397 4.106 1.00 0.00 N ATOM 1166 CA GLU A 100 -15.794 -2.683 4.784 1.00 0.00 C ATOM 1167 C GLU A 100 -16.428 -3.851 4.016 1.00 0.00 C ATOM 1168 O GLU A 100 -15.894 -4.943 3.982 1.00 0.00 O ATOM 1169 CB GLU A 100 -16.383 -2.569 6.194 1.00 0.00 C ATOM 1170 CG GLU A 100 -15.734 -3.610 7.113 1.00 0.00 C ATOM 1171 CD GLU A 100 -16.812 -4.537 7.679 1.00 0.00 C ATOM 1172 OE1 GLU A 100 -17.165 -5.486 6.999 1.00 0.00 O ATOM 1173 OE2 GLU A 100 -17.266 -4.280 8.782 1.00 0.00 O ATOM 0 H GLU A 100 -16.737 -0.770 4.635 1.00 0.00 H new ATOM 0 HA GLU A 100 -14.720 -2.867 4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -16.215 -1.567 6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.462 -2.722 6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -14.996 -4.190 6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -15.204 -3.113 7.926 1.00 0.00 H new ATOM 1180 N ASN A 101 -17.553 -3.616 3.379 1.00 0.00 N ATOM 1181 CA ASN A 101 -18.213 -4.702 2.586 1.00 0.00 C ATOM 1182 C ASN A 101 -17.442 -4.942 1.274 1.00 0.00 C ATOM 1183 O ASN A 101 -17.689 -5.910 0.579 1.00 0.00 O ATOM 1184 CB ASN A 101 -19.640 -4.207 2.295 1.00 0.00 C ATOM 1185 CG ASN A 101 -20.338 -3.800 3.600 1.00 0.00 C ATOM 1186 OD1 ASN A 101 -20.879 -2.716 3.696 1.00 0.00 O ATOM 1187 ND2 ASN A 101 -20.353 -4.627 4.611 1.00 0.00 N ATOM 0 H ASN A 101 -18.041 -2.720 3.375 1.00 0.00 H new ATOM 0 HA ASN A 101 -18.227 -5.647 3.129 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -19.606 -3.358 1.613 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -20.211 -4.992 1.799 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -20.818 -4.363 5.479 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -19.899 -5.537 4.532 1.00 0.00 H new ATOM 1194 N GLY A 102 -16.499 -4.082 0.935 1.00 0.00 N ATOM 1195 CA GLY A 102 -15.709 -4.281 -0.313 1.00 0.00 C ATOM 1196 C GLY A 102 -14.813 -5.509 -0.142 1.00 0.00 C ATOM 1197 O GLY A 102 -14.544 -5.942 0.964 1.00 0.00 O ATOM 0 H GLY A 102 -16.250 -3.254 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -16.376 -4.417 -1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.104 -3.399 -0.521 1.00 0.00 H new ATOM 1201 N ARG A 103 -14.339 -6.073 -1.218 1.00 0.00 N ATOM 1202 CA ARG A 103 -13.449 -7.264 -1.097 1.00 0.00 C ATOM 1203 C ARG A 103 -12.002 -6.804 -0.892 1.00 0.00 C ATOM 1204 O ARG A 103 -11.668 -5.658 -1.137 1.00 0.00 O ATOM 1205 CB ARG A 103 -13.611 -8.043 -2.408 1.00 0.00 C ATOM 1206 CG ARG A 103 -12.762 -7.406 -3.513 1.00 0.00 C ATOM 1207 CD ARG A 103 -13.306 -7.823 -4.882 1.00 0.00 C ATOM 1208 NE ARG A 103 -14.607 -7.105 -5.013 1.00 0.00 N ATOM 1209 CZ ARG A 103 -15.625 -7.700 -5.569 1.00 0.00 C ATOM 1210 NH1 ARG A 103 -16.170 -8.733 -4.986 1.00 0.00 N ATOM 1211 NH2 ARG A 103 -16.096 -7.260 -6.707 1.00 0.00 N ATOM 0 H ARG A 103 -14.527 -5.764 -2.172 1.00 0.00 H new ATOM 0 HA ARG A 103 -13.706 -7.892 -0.244 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -13.311 -9.081 -2.262 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -14.659 -8.053 -2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -12.779 -6.320 -3.419 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.722 -7.718 -3.413 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.619 -7.545 -5.681 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -13.443 -8.903 -4.941 1.00 0.00 H new ATOM 0 HE ARG A 103 -14.700 -6.150 -4.668 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -15.799 -9.072 -4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -16.967 -9.201 -5.418 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -15.667 -6.452 -7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -16.892 -7.725 -7.143 1.00 0.00 H new ATOM 1225 N VAL A 104 -11.147 -7.678 -0.434 1.00 0.00 N ATOM 1226 CA VAL A 104 -9.725 -7.282 -0.202 1.00 0.00 C ATOM 1227 C VAL A 104 -8.783 -8.136 -1.063 1.00 0.00 C ATOM 1228 O VAL A 104 -8.982 -9.327 -1.222 1.00 0.00 O ATOM 1229 CB VAL A 104 -9.467 -7.532 1.292 1.00 0.00 C ATOM 1230 CG1 VAL A 104 -8.179 -6.821 1.715 1.00 0.00 C ATOM 1231 CG2 VAL A 104 -10.632 -6.983 2.124 1.00 0.00 C ATOM 0 H VAL A 104 -11.370 -8.648 -0.210 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.545 -6.242 -0.473 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.373 -8.605 1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.997 -6.999 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.342 -7.207 1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.280 -5.750 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.441 -7.164 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.729 -5.911 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.555 -7.483 1.831 1.00 0.00 H new ATOM 1241 N LYS A 105 -7.758 -7.533 -1.613 1.00 0.00 N ATOM 1242 CA LYS A 105 -6.797 -8.299 -2.462 1.00 0.00 C ATOM 1243 C LYS A 105 -5.355 -8.026 -2.021 1.00 0.00 C ATOM 1244 O LYS A 105 -4.970 -6.895 -1.791 1.00 0.00 O ATOM 1245 CB LYS A 105 -7.027 -7.784 -3.884 1.00 0.00 C ATOM 1246 CG LYS A 105 -7.594 -8.908 -4.754 1.00 0.00 C ATOM 1247 CD LYS A 105 -8.086 -8.330 -6.081 1.00 0.00 C ATOM 1248 CE LYS A 105 -9.422 -7.610 -5.865 1.00 0.00 C ATOM 1249 NZ LYS A 105 -9.666 -6.845 -7.122 1.00 0.00 N ATOM 0 H LYS A 105 -7.546 -6.541 -1.510 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.951 -9.375 -2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.717 -6.940 -3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.090 -7.422 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.829 -9.662 -4.936 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.414 -9.405 -4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.348 -7.636 -6.483 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.206 -9.127 -6.814 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.226 -8.321 -5.675 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.375 -6.945 -5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.014 -5.893 -6.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.779 -6.767 -7.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.376 -7.341 -7.698 1.00 0.00 H new ATOM 1263 N GLN A 106 -4.556 -9.056 -1.905 1.00 0.00 N ATOM 1264 CA GLN A 106 -3.136 -8.859 -1.486 1.00 0.00 C ATOM 1265 C GLN A 106 -2.252 -8.636 -2.717 1.00 0.00 C ATOM 1266 O GLN A 106 -1.791 -9.571 -3.347 1.00 0.00 O ATOM 1267 CB GLN A 106 -2.744 -10.144 -0.754 1.00 0.00 C ATOM 1268 CG GLN A 106 -1.525 -9.873 0.130 1.00 0.00 C ATOM 1269 CD GLN A 106 -0.927 -11.201 0.596 1.00 0.00 C ATOM 1270 OE1 GLN A 106 -1.623 -12.036 1.134 1.00 0.00 O ATOM 1271 NE2 GLN A 106 0.345 -11.431 0.413 1.00 0.00 N ATOM 0 H GLN A 106 -4.825 -10.024 -2.082 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.012 -7.986 -0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.577 -10.498 -0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.518 -10.931 -1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -0.781 -9.301 -0.424 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.814 -9.270 0.991 1.00 0.00 H new ATOM 0 HE21 GLN A 106 0.930 -10.729 -0.039 1.00 0.00 H new ATOM 0 HE22 GLN A 106 0.753 -12.313 0.722 1.00 0.00 H new ATOM 1280 N CYS A 107 -2.017 -7.394 -3.060 1.00 0.00 N ATOM 1281 CA CYS A 107 -1.168 -7.081 -4.250 1.00 0.00 C ATOM 1282 C CYS A 107 0.316 -7.163 -3.881 1.00 0.00 C ATOM 1283 O CYS A 107 0.792 -6.443 -3.024 1.00 0.00 O ATOM 1284 CB CYS A 107 -1.548 -5.655 -4.648 1.00 0.00 C ATOM 1285 SG CYS A 107 -3.310 -5.595 -5.065 1.00 0.00 S ATOM 0 H CYS A 107 -2.379 -6.579 -2.564 1.00 0.00 H new ATOM 0 HA CYS A 107 -1.328 -7.785 -5.066 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -1.333 -4.968 -3.830 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -0.950 -5.332 -5.500 1.00 0.00 H new ATOM 1290 N VAL A 108 1.044 -8.041 -4.524 1.00 0.00 N ATOM 1291 CA VAL A 108 2.498 -8.186 -4.224 1.00 0.00 C ATOM 1292 C VAL A 108 3.327 -8.029 -5.507 1.00 0.00 C ATOM 1293 O VAL A 108 2.961 -8.520 -6.559 1.00 0.00 O ATOM 1294 CB VAL A 108 2.661 -9.597 -3.641 1.00 0.00 C ATOM 1295 CG1 VAL A 108 1.849 -9.721 -2.348 1.00 0.00 C ATOM 1296 CG2 VAL A 108 2.170 -10.644 -4.647 1.00 0.00 C ATOM 0 H VAL A 108 0.690 -8.666 -5.248 1.00 0.00 H new ATOM 0 HA VAL A 108 2.846 -7.423 -3.528 1.00 0.00 H new ATOM 0 HB VAL A 108 3.716 -9.768 -3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.968 -10.724 -1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.205 -8.989 -1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.796 -9.539 -2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.290 -11.641 -4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.117 -10.469 -4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.753 -10.568 -5.565 1.00 0.00 H new ATOM 1306 N GLY A 109 4.440 -7.347 -5.426 1.00 0.00 N ATOM 1307 CA GLY A 109 5.299 -7.152 -6.636 1.00 0.00 C ATOM 1308 C GLY A 109 6.681 -6.641 -6.214 1.00 0.00 C ATOM 1309 O GLY A 109 6.956 -6.467 -5.044 1.00 0.00 O ATOM 0 H GLY A 109 4.793 -6.915 -4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 109 5.399 -8.092 -7.178 1.00 0.00 H new ATOM 0 HA3 GLY A 109 4.830 -6.441 -7.316 1.00 0.00 H new ATOM 1313 N THR A 110 7.554 -6.395 -7.161 1.00 0.00 N ATOM 1314 CA THR A 110 8.921 -5.890 -6.807 1.00 0.00 C ATOM 1315 C THR A 110 9.197 -4.556 -7.516 1.00 0.00 C ATOM 1316 O THR A 110 8.906 -4.394 -8.687 1.00 0.00 O ATOM 1317 CB THR A 110 9.905 -6.971 -7.277 1.00 0.00 C ATOM 1318 OG1 THR A 110 9.876 -7.067 -8.696 1.00 0.00 O ATOM 1319 CG2 THR A 110 9.525 -8.323 -6.666 1.00 0.00 C ATOM 0 H THR A 110 7.382 -6.521 -8.159 1.00 0.00 H new ATOM 0 HA THR A 110 9.018 -5.707 -5.737 1.00 0.00 H new ATOM 0 HB THR A 110 10.910 -6.699 -6.954 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.507 -7.757 -8.990 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.227 -9.085 -7.004 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.560 -8.254 -5.579 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.517 -8.594 -6.980 1.00 0.00 H new ATOM 1327 N VAL A 111 9.753 -3.601 -6.812 1.00 0.00 N ATOM 1328 CA VAL A 111 10.044 -2.269 -7.433 1.00 0.00 C ATOM 1329 C VAL A 111 11.304 -1.645 -6.818 1.00 0.00 C ATOM 1330 O VAL A 111 11.512 -1.707 -5.620 1.00 0.00 O ATOM 1331 CB VAL A 111 8.817 -1.396 -7.124 1.00 0.00 C ATOM 1332 CG1 VAL A 111 7.627 -1.857 -7.968 1.00 0.00 C ATOM 1333 CG2 VAL A 111 8.455 -1.506 -5.636 1.00 0.00 C ATOM 0 H VAL A 111 10.019 -3.686 -5.831 1.00 0.00 H new ATOM 0 HA VAL A 111 10.225 -2.359 -8.504 1.00 0.00 H new ATOM 0 HB VAL A 111 9.054 -0.359 -7.363 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.760 -1.235 -7.745 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.875 -1.768 -9.026 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.397 -2.897 -7.735 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.585 -0.884 -5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 111 8.227 -2.544 -5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.296 -1.168 -5.031 1.00 0.00 H new ATOM 1343 N THR A 112 12.142 -1.039 -7.626 1.00 0.00 N ATOM 1344 CA THR A 112 13.388 -0.402 -7.081 1.00 0.00 C ATOM 1345 C THR A 112 13.024 0.692 -6.067 1.00 0.00 C ATOM 1346 O THR A 112 11.946 1.255 -6.105 1.00 0.00 O ATOM 1347 CB THR A 112 14.124 0.188 -8.296 1.00 0.00 C ATOM 1348 OG1 THR A 112 15.286 0.879 -7.857 1.00 0.00 O ATOM 1349 CG2 THR A 112 13.212 1.156 -9.052 1.00 0.00 C ATOM 0 H THR A 112 12.020 -0.957 -8.635 1.00 0.00 H new ATOM 0 HA THR A 112 14.017 -1.120 -6.555 1.00 0.00 H new ATOM 0 HB THR A 112 14.408 -0.625 -8.964 1.00 0.00 H new ATOM 0 HG1 THR A 112 16.069 0.297 -7.954 1.00 0.00 H new ATOM 0 HG21 THR A 112 13.747 1.565 -9.909 1.00 0.00 H new ATOM 0 HG22 THR A 112 12.325 0.625 -9.397 1.00 0.00 H new ATOM 0 HG23 THR A 112 12.914 1.968 -8.389 1.00 0.00 H new ATOM 1357 N LEU A 113 13.915 0.984 -5.154 1.00 0.00 N ATOM 1358 CA LEU A 113 13.625 2.025 -4.123 1.00 0.00 C ATOM 1359 C LEU A 113 13.997 3.431 -4.623 1.00 0.00 C ATOM 1360 O LEU A 113 13.541 4.419 -4.082 1.00 0.00 O ATOM 1361 CB LEU A 113 14.489 1.634 -2.922 1.00 0.00 C ATOM 1362 CG LEU A 113 13.793 2.060 -1.628 1.00 0.00 C ATOM 1363 CD1 LEU A 113 12.536 1.212 -1.411 1.00 0.00 C ATOM 1364 CD2 LEU A 113 14.749 1.866 -0.447 1.00 0.00 C ATOM 0 H LEU A 113 14.833 0.545 -5.078 1.00 0.00 H new ATOM 0 HA LEU A 113 12.564 2.066 -3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 113 14.658 0.557 -2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 113 15.467 2.110 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 113 13.510 3.110 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.044 1.520 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.854 1.352 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 113 12.814 0.160 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.254 2.169 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.034 0.816 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 113 15.641 2.474 -0.597 1.00 0.00 H new ATOM 1376 N ASP A 114 14.815 3.534 -5.643 1.00 0.00 N ATOM 1377 CA ASP A 114 15.200 4.887 -6.158 1.00 0.00 C ATOM 1378 C ASP A 114 13.994 5.566 -6.822 1.00 0.00 C ATOM 1379 O ASP A 114 13.606 6.658 -6.447 1.00 0.00 O ATOM 1380 CB ASP A 114 16.311 4.635 -7.184 1.00 0.00 C ATOM 1381 CG ASP A 114 17.673 4.631 -6.480 1.00 0.00 C ATOM 1382 OD1 ASP A 114 17.915 3.728 -5.695 1.00 0.00 O ATOM 1383 OD2 ASP A 114 18.452 5.534 -6.737 1.00 0.00 O ATOM 0 H ASP A 114 15.231 2.745 -6.139 1.00 0.00 H new ATOM 0 HA ASP A 114 15.536 5.547 -5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 114 16.147 3.681 -7.685 1.00 0.00 H new ATOM 0 HB3 ASP A 114 16.291 5.407 -7.953 1.00 0.00 H new ATOM 1388 N GLN A 115 13.398 4.924 -7.796 1.00 0.00 N ATOM 1389 CA GLN A 115 12.213 5.516 -8.486 1.00 0.00 C ATOM 1390 C GLN A 115 11.357 4.397 -9.092 1.00 0.00 C ATOM 1391 O GLN A 115 11.861 3.512 -9.755 1.00 0.00 O ATOM 1392 CB GLN A 115 12.785 6.430 -9.582 1.00 0.00 C ATOM 1393 CG GLN A 115 13.549 5.601 -10.622 1.00 0.00 C ATOM 1394 CD GLN A 115 14.309 6.535 -11.566 1.00 0.00 C ATOM 1395 OE1 GLN A 115 13.768 6.984 -12.559 1.00 0.00 O ATOM 1396 NE2 GLN A 115 15.548 6.845 -11.302 1.00 0.00 N ATOM 0 H GLN A 115 13.684 4.009 -8.144 1.00 0.00 H new ATOM 0 HA GLN A 115 11.573 6.076 -7.805 1.00 0.00 H new ATOM 0 HB2 GLN A 115 11.977 6.978 -10.066 1.00 0.00 H new ATOM 0 HB3 GLN A 115 13.450 7.170 -9.137 1.00 0.00 H new ATOM 0 HG2 GLN A 115 14.245 4.926 -10.124 1.00 0.00 H new ATOM 0 HG3 GLN A 115 12.855 4.981 -11.189 1.00 0.00 H new ATOM 0 HE21 GLN A 115 16.002 6.469 -10.470 1.00 0.00 H new ATOM 0 HE22 GLN A 115 16.063 7.464 -11.928 1.00 0.00 H new ATOM 1405 N ILE A 116 10.069 4.428 -8.862 1.00 0.00 N ATOM 1406 CA ILE A 116 9.179 3.360 -9.420 1.00 0.00 C ATOM 1407 C ILE A 116 9.231 3.373 -10.952 1.00 0.00 C ATOM 1408 O ILE A 116 9.444 4.399 -11.570 1.00 0.00 O ATOM 1409 CB ILE A 116 7.769 3.697 -8.916 1.00 0.00 C ATOM 1410 CG1 ILE A 116 7.700 3.521 -7.391 1.00 0.00 C ATOM 1411 CG2 ILE A 116 6.744 2.767 -9.576 1.00 0.00 C ATOM 1412 CD1 ILE A 116 8.355 2.197 -6.975 1.00 0.00 C ATOM 0 H ILE A 116 9.594 5.145 -8.313 1.00 0.00 H new ATOM 0 HA ILE A 116 9.487 2.363 -9.104 1.00 0.00 H new ATOM 0 HB ILE A 116 7.543 4.732 -9.173 1.00 0.00 H new ATOM 0 HG12 ILE A 116 8.204 4.353 -6.899 1.00 0.00 H new ATOM 0 HG13 ILE A 116 6.661 3.539 -7.063 1.00 0.00 H new ATOM 0 HG21 ILE A 116 5.745 3.011 -9.214 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.780 2.896 -10.658 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.978 1.732 -9.326 1.00 0.00 H new ATOM 0 HD11 ILE A 116 8.298 2.087 -5.892 1.00 0.00 H new ATOM 0 HD12 ILE A 116 7.833 1.367 -7.452 1.00 0.00 H new ATOM 0 HD13 ILE A 116 9.400 2.195 -7.285 1.00 0.00 H new ATOM 1424 N LYS A 117 9.043 2.232 -11.563 1.00 0.00 N ATOM 1425 CA LYS A 117 9.088 2.157 -13.052 1.00 0.00 C ATOM 1426 C LYS A 117 7.964 1.256 -13.579 1.00 0.00 C ATOM 1427 O LYS A 117 7.645 0.235 -12.996 1.00 0.00 O ATOM 1428 CB LYS A 117 10.461 1.557 -13.373 1.00 0.00 C ATOM 1429 CG LYS A 117 10.706 1.607 -14.886 1.00 0.00 C ATOM 1430 CD LYS A 117 11.884 2.539 -15.186 1.00 0.00 C ATOM 1431 CE LYS A 117 11.878 2.908 -16.674 1.00 0.00 C ATOM 1432 NZ LYS A 117 13.122 2.302 -17.235 1.00 0.00 N ATOM 0 H LYS A 117 8.860 1.346 -11.092 1.00 0.00 H new ATOM 0 HA LYS A 117 8.948 3.132 -13.519 1.00 0.00 H new ATOM 0 HB2 LYS A 117 11.241 2.110 -12.850 1.00 0.00 H new ATOM 0 HB3 LYS A 117 10.510 0.527 -13.021 1.00 0.00 H new ATOM 0 HG2 LYS A 117 10.916 0.606 -15.264 1.00 0.00 H new ATOM 0 HG3 LYS A 117 9.811 1.960 -15.398 1.00 0.00 H new ATOM 0 HD2 LYS A 117 11.813 3.440 -14.577 1.00 0.00 H new ATOM 0 HD3 LYS A 117 12.823 2.051 -14.925 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.991 2.518 -17.173 1.00 0.00 H new ATOM 0 HE3 LYS A 117 11.871 3.989 -16.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.184 2.515 -18.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 13.951 2.697 -16.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 13.099 1.271 -17.098 1.00 0.00 H new ATOM 1446 N ASP A 118 7.372 1.628 -14.683 1.00 0.00 N ATOM 1447 CA ASP A 118 6.271 0.804 -15.269 1.00 0.00 C ATOM 1448 C ASP A 118 6.845 -0.227 -16.256 1.00 0.00 C ATOM 1449 O ASP A 118 7.930 -0.043 -16.778 1.00 0.00 O ATOM 1450 CB ASP A 118 5.351 1.799 -15.995 1.00 0.00 C ATOM 1451 CG ASP A 118 6.152 2.621 -17.012 1.00 0.00 C ATOM 1452 OD1 ASP A 118 6.732 3.617 -16.609 1.00 0.00 O ATOM 1453 OD2 ASP A 118 6.170 2.243 -18.173 1.00 0.00 O ATOM 0 H ASP A 118 7.604 2.471 -15.208 1.00 0.00 H new ATOM 0 HA ASP A 118 5.730 0.245 -14.505 1.00 0.00 H new ATOM 0 HB2 ASP A 118 4.550 1.261 -16.502 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.879 2.463 -15.271 1.00 0.00 H new ATOM 1458 N PRO A 119 6.095 -1.282 -16.487 1.00 0.00 N ATOM 1459 CA PRO A 119 4.776 -1.459 -15.824 1.00 0.00 C ATOM 1460 C PRO A 119 4.950 -1.935 -14.375 1.00 0.00 C ATOM 1461 O PRO A 119 5.910 -2.603 -14.043 1.00 0.00 O ATOM 1462 CB PRO A 119 4.096 -2.534 -16.661 1.00 0.00 C ATOM 1463 CG PRO A 119 5.210 -3.308 -17.296 1.00 0.00 C ATOM 1464 CD PRO A 119 6.408 -2.395 -17.390 1.00 0.00 C ATOM 0 HA PRO A 119 4.204 -0.533 -15.771 1.00 0.00 H new ATOM 0 HB2 PRO A 119 3.473 -3.179 -16.041 1.00 0.00 H new ATOM 0 HB3 PRO A 119 3.445 -2.092 -17.415 1.00 0.00 H new ATOM 0 HG2 PRO A 119 5.448 -4.191 -16.704 1.00 0.00 H new ATOM 0 HG3 PRO A 119 4.917 -3.658 -18.286 1.00 0.00 H new ATOM 0 HD2 PRO A 119 7.321 -2.907 -17.087 1.00 0.00 H new ATOM 0 HD3 PRO A 119 6.562 -2.046 -18.411 1.00 0.00 H new ATOM 1472 N LEU A 120 4.018 -1.597 -13.518 1.00 0.00 N ATOM 1473 CA LEU A 120 4.109 -2.030 -12.088 1.00 0.00 C ATOM 1474 C LEU A 120 3.900 -3.547 -11.998 1.00 0.00 C ATOM 1475 O LEU A 120 2.782 -4.031 -12.020 1.00 0.00 O ATOM 1476 CB LEU A 120 2.983 -1.274 -11.369 1.00 0.00 C ATOM 1477 CG LEU A 120 3.286 -1.188 -9.870 1.00 0.00 C ATOM 1478 CD1 LEU A 120 4.449 -0.220 -9.631 1.00 0.00 C ATOM 1479 CD2 LEU A 120 2.045 -0.679 -9.131 1.00 0.00 C ATOM 0 H LEU A 120 3.196 -1.038 -13.747 1.00 0.00 H new ATOM 0 HA LEU A 120 5.080 -1.814 -11.641 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.882 -0.272 -11.786 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.032 -1.783 -11.528 1.00 0.00 H new ATOM 0 HG LEU A 120 3.557 -2.177 -9.500 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.661 -0.162 -8.563 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.334 -0.577 -10.158 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.181 0.769 -10.002 1.00 0.00 H new ATOM 0 HD21 LEU A 120 2.257 -0.617 -8.064 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.778 0.309 -9.506 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.216 -1.367 -9.296 1.00 0.00 H new ATOM 1491 N ASP A 121 4.971 -4.297 -11.919 1.00 0.00 N ATOM 1492 CA ASP A 121 4.848 -5.788 -11.853 1.00 0.00 C ATOM 1493 C ASP A 121 4.355 -6.242 -10.473 1.00 0.00 C ATOM 1494 O ASP A 121 5.103 -6.767 -9.668 1.00 0.00 O ATOM 1495 CB ASP A 121 6.256 -6.320 -12.134 1.00 0.00 C ATOM 1496 CG ASP A 121 6.348 -6.756 -13.598 1.00 0.00 C ATOM 1497 OD1 ASP A 121 6.701 -5.928 -14.423 1.00 0.00 O ATOM 1498 OD2 ASP A 121 6.060 -7.909 -13.871 1.00 0.00 O ATOM 0 H ASP A 121 5.927 -3.942 -11.897 1.00 0.00 H new ATOM 0 HA ASP A 121 4.120 -6.165 -12.572 1.00 0.00 H new ATOM 0 HB2 ASP A 121 6.997 -5.549 -11.925 1.00 0.00 H new ATOM 0 HB3 ASP A 121 6.477 -7.161 -11.477 1.00 0.00 H new ATOM 1503 N ILE A 122 3.086 -6.064 -10.215 1.00 0.00 N ATOM 1504 CA ILE A 122 2.505 -6.500 -8.908 1.00 0.00 C ATOM 1505 C ILE A 122 1.244 -7.338 -9.169 1.00 0.00 C ATOM 1506 O ILE A 122 0.507 -7.088 -10.104 1.00 0.00 O ATOM 1507 CB ILE A 122 2.159 -5.217 -8.129 1.00 0.00 C ATOM 1508 CG1 ILE A 122 1.214 -4.327 -8.951 1.00 0.00 C ATOM 1509 CG2 ILE A 122 3.439 -4.441 -7.808 1.00 0.00 C ATOM 1510 CD1 ILE A 122 -0.227 -4.558 -8.492 1.00 0.00 C ATOM 0 H ILE A 122 2.422 -5.632 -10.857 1.00 0.00 H new ATOM 0 HA ILE A 122 3.202 -7.114 -8.337 1.00 0.00 H new ATOM 0 HB ILE A 122 1.661 -5.500 -7.201 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.484 -3.278 -8.826 1.00 0.00 H new ATOM 0 HG13 ILE A 122 1.311 -4.557 -10.012 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.187 -3.535 -7.257 1.00 0.00 H new ATOM 0 HG22 ILE A 122 4.099 -5.062 -7.202 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.944 -4.173 -8.736 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.900 -3.928 -9.074 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.492 -5.605 -8.639 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -0.317 -4.306 -7.435 1.00 0.00 H new ATOM 1522 N THR A 123 1.000 -8.335 -8.360 1.00 0.00 N ATOM 1523 CA THR A 123 -0.204 -9.196 -8.575 1.00 0.00 C ATOM 1524 C THR A 123 -1.009 -9.339 -7.280 1.00 0.00 C ATOM 1525 O THR A 123 -0.465 -9.603 -6.225 1.00 0.00 O ATOM 1526 CB THR A 123 0.347 -10.559 -9.011 1.00 0.00 C ATOM 1527 OG1 THR A 123 1.239 -10.391 -10.107 1.00 0.00 O ATOM 1528 CG2 THR A 123 -0.807 -11.472 -9.434 1.00 0.00 C ATOM 0 H THR A 123 1.580 -8.591 -7.561 1.00 0.00 H new ATOM 0 HA THR A 123 -0.877 -8.768 -9.318 1.00 0.00 H new ATOM 0 HB THR A 123 0.881 -11.010 -8.174 1.00 0.00 H new ATOM 0 HG1 THR A 123 1.589 -11.264 -10.381 1.00 0.00 H new ATOM 0 HG21 THR A 123 -0.411 -12.439 -9.743 1.00 0.00 H new ATOM 0 HG22 THR A 123 -1.488 -11.610 -8.594 1.00 0.00 H new ATOM 0 HG23 THR A 123 -1.344 -11.017 -10.266 1.00 0.00 H new ATOM 1536 N CYS A 124 -2.304 -9.185 -7.362 1.00 0.00 N ATOM 1537 CA CYS A 124 -3.158 -9.328 -6.145 1.00 0.00 C ATOM 1538 C CYS A 124 -3.794 -10.718 -6.133 1.00 0.00 C ATOM 1539 O CYS A 124 -4.501 -11.094 -7.050 1.00 0.00 O ATOM 1540 CB CYS A 124 -4.223 -8.233 -6.253 1.00 0.00 C ATOM 1541 SG CYS A 124 -3.456 -6.673 -6.767 1.00 0.00 S ATOM 0 H CYS A 124 -2.809 -8.966 -8.221 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.589 -9.224 -5.221 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -4.987 -8.527 -6.973 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -4.722 -8.104 -5.293 1.00 0.00 H new ATOM 1546 N ASN A 125 -3.530 -11.490 -5.111 1.00 0.00 N ATOM 1547 CA ASN A 125 -4.096 -12.874 -5.047 1.00 0.00 C ATOM 1548 C ASN A 125 -5.003 -13.056 -3.822 1.00 0.00 C ATOM 1549 O ASN A 125 -4.869 -14.014 -3.083 1.00 0.00 O ATOM 1550 CB ASN A 125 -2.873 -13.804 -4.973 1.00 0.00 C ATOM 1551 CG ASN A 125 -1.989 -13.455 -3.761 1.00 0.00 C ATOM 1552 OD1 ASN A 125 -2.280 -12.543 -3.012 1.00 0.00 O ATOM 1553 ND2 ASN A 125 -0.907 -14.151 -3.539 1.00 0.00 N ATOM 0 H ASN A 125 -2.947 -11.224 -4.317 1.00 0.00 H new ATOM 0 HA ASN A 125 -4.723 -13.091 -5.912 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -3.203 -14.840 -4.901 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -2.290 -13.718 -5.890 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -0.312 -13.928 -2.741 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -0.657 -14.918 -4.163 1.00 0.00 H new ATOM 1560 N GLU A 126 -5.940 -12.156 -3.623 1.00 0.00 N ATOM 1561 CA GLU A 126 -6.891 -12.262 -2.464 1.00 0.00 C ATOM 1562 C GLU A 126 -6.156 -12.152 -1.115 1.00 0.00 C ATOM 1563 O GLU A 126 -5.025 -12.574 -0.964 1.00 0.00 O ATOM 1564 CB GLU A 126 -7.551 -13.642 -2.606 1.00 0.00 C ATOM 1565 CG GLU A 126 -9.062 -13.526 -2.371 1.00 0.00 C ATOM 1566 CD GLU A 126 -9.487 -14.506 -1.275 1.00 0.00 C ATOM 1567 OE1 GLU A 126 -9.693 -15.667 -1.592 1.00 0.00 O ATOM 1568 OE2 GLU A 126 -9.598 -14.078 -0.139 1.00 0.00 O ATOM 0 H GLU A 126 -6.089 -11.343 -4.221 1.00 0.00 H new ATOM 0 HA GLU A 126 -7.620 -11.452 -2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -7.359 -14.046 -3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -7.115 -14.338 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -9.318 -12.507 -2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -9.601 -13.740 -3.294 1.00 0.00 H new