USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 593 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 414 THR OG1 : rot -86:sc= 1.19 USER MOD Set 1.2: A 415 SER OG : rot 180:sc=-0.00235 USER MOD Set 2.1: A 115 CYS SG : rot -155:sc= 1.37 USER MOD Set 2.2: A 118 CYS SG : rot 124:sc= -5.13! USER MOD Set 2.3: A 137 CYS SG : rot -50:sc= -0.99! USER MOD Set 2.4: A 139 HIS : no HD1:sc= -0.193 X(o=-4.9,f=-4.5) USER MOD Set 3.1: A 106 ASN : amide:sc= 1.16 K(o=2.1,f=1.4) USER MOD Set 3.2: A 108 TYR OH : rot 0:sc= 0.977 USER MOD Set 4.1: A 87 CYS SG : rot 131:sc= 1.41 USER MOD Set 4.2: A 90 CYS SG : rot -58:sc= 0.81! USER MOD Set 4.3: A 109 HIS : no HD1:sc= 0.788 K(o=-2.2,f=-6.6) USER MOD Set 4.4: A 112 CYS SG : rot 144:sc= -5.16! USER MOD Single : A 83 ASN : amide:sc= 0.523 K(o=0.52,f=-4.3!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 170:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -2.05! K(o=-2.1!,f=-0.91) USER MOD Single : A 93 SER OG : rot 150:sc= 0.275 USER MOD Single : A 97 SER OG : rot 180:sc= 0.122 USER MOD Single : A 101 MET CE :methyl 158:sc= -2.22 (180deg=-4.07!) USER MOD Single : A 104 GLN : amide:sc= -0.649 X(o=-0.65,f=-0.2) USER MOD Single : A 111 LYS NZ :NH3+ -118:sc= 1.26 (180deg=-0.195) USER MOD Single : A 114 THR OG1 : rot -56:sc= 0.256 USER MOD Single : A 116 SER OG : rot 180:sc= 0.092 USER MOD Single : A 117 THR OG1 : rot 180:sc= 1.22 USER MOD Single : A 120 ASN : amide:sc= -0.939 X(o=-0.94,f=-1.1) USER MOD Single : A 129 HIS : no HE2:sc= -4.12! K(o=-4.1!,f=-3.5) USER MOD Single : A 130 TYR OH : rot 180:sc= -0.118 USER MOD Single : A 132 ASN : amide:sc= 0.203 X(o=0.2,f=0) USER MOD Single : A 134 SER OG : rot 79:sc= 1.1 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.845 USER MOD Single : A 208 SER OG : rot 92:sc= 0.17 USER MOD ----------------------------------------------------------------- ATOM 61 N ARG A 79 -13.094 7.903 -0.967 1.00 0.00 N ATOM 62 CA ARG A 79 -12.655 7.253 -2.199 1.00 0.00 C ATOM 63 C ARG A 79 -13.205 5.836 -2.258 1.00 0.00 C ATOM 64 O ARG A 79 -12.568 4.926 -2.779 1.00 0.00 O ATOM 65 CB ARG A 79 -11.125 7.235 -2.301 1.00 0.00 C ATOM 66 CG ARG A 79 -10.615 7.296 -3.733 1.00 0.00 C ATOM 67 CD ARG A 79 -9.094 7.346 -3.791 1.00 0.00 C ATOM 68 NE ARG A 79 -8.581 6.889 -5.083 1.00 0.00 N ATOM 69 CZ ARG A 79 -8.413 7.680 -6.148 1.00 0.00 C ATOM 70 NH1 ARG A 79 -8.681 8.978 -6.073 1.00 0.00 N ATOM 71 NH2 ARG A 79 -7.972 7.166 -7.288 1.00 0.00 N ATOM 0 HA ARG A 79 -13.039 7.824 -3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.721 8.080 -1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.747 6.329 -1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.971 6.425 -4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.027 8.176 -4.228 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.757 8.366 -3.607 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.680 6.726 -2.996 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.336 5.903 -5.177 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.018 9.379 -5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.550 9.574 -6.890 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.762 6.170 -7.351 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.843 7.767 -8.102 1.00 0.00 H new ATOM 85 N LEU A 80 -14.392 5.666 -1.701 1.00 0.00 N ATOM 86 CA LEU A 80 -15.058 4.374 -1.673 1.00 0.00 C ATOM 87 C LEU A 80 -16.560 4.590 -1.567 1.00 0.00 C ATOM 88 O LEU A 80 -17.021 5.734 -1.572 1.00 0.00 O ATOM 89 CB LEU A 80 -14.562 3.530 -0.488 1.00 0.00 C ATOM 90 CG LEU A 80 -15.135 3.914 0.880 1.00 0.00 C ATOM 91 CD1 LEU A 80 -15.597 2.672 1.634 1.00 0.00 C ATOM 92 CD2 LEU A 80 -14.101 4.687 1.687 1.00 0.00 C ATOM 0 H LEU A 80 -14.920 6.417 -1.257 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.827 3.835 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.802 2.485 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.476 3.604 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 80 -16.001 4.558 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -16.001 2.964 2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -16.369 2.163 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -14.751 2.000 1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -14.521 4.954 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.216 4.068 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -13.824 5.594 1.150 1.00 0.00 H new ATOM 104 N PHE A 81 -17.320 3.508 -1.462 1.00 0.00 N ATOM 105 CA PHE A 81 -18.761 3.614 -1.280 1.00 0.00 C ATOM 106 C PHE A 81 -19.087 3.856 0.193 1.00 0.00 C ATOM 107 O PHE A 81 -19.582 2.974 0.897 1.00 0.00 O ATOM 108 CB PHE A 81 -19.460 2.351 -1.787 1.00 0.00 C ATOM 109 CG PHE A 81 -20.619 2.637 -2.704 1.00 0.00 C ATOM 110 CD1 PHE A 81 -21.398 3.775 -2.529 1.00 0.00 C ATOM 111 CD2 PHE A 81 -20.925 1.775 -3.747 1.00 0.00 C ATOM 112 CE1 PHE A 81 -22.454 4.044 -3.379 1.00 0.00 C ATOM 113 CE2 PHE A 81 -21.983 2.040 -4.597 1.00 0.00 C ATOM 114 CZ PHE A 81 -22.747 3.178 -4.412 1.00 0.00 C ATOM 0 H PHE A 81 -16.965 2.552 -1.499 1.00 0.00 H new ATOM 0 HA PHE A 81 -19.126 4.461 -1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -18.735 1.729 -2.313 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -19.815 1.774 -0.933 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -21.176 4.456 -1.721 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -20.330 0.886 -3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -23.050 4.933 -3.234 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -22.212 1.360 -5.404 1.00 0.00 H new ATOM 0 HZ PHE A 81 -23.572 3.388 -5.076 1.00 0.00 H new ATOM 124 N GLY A 82 -18.788 5.061 0.651 1.00 0.00 N ATOM 125 CA GLY A 82 -19.004 5.414 2.039 1.00 0.00 C ATOM 126 C GLY A 82 -17.735 5.935 2.681 1.00 0.00 C ATOM 127 O GLY A 82 -17.192 6.953 2.250 1.00 0.00 O ATOM 0 H GLY A 82 -18.395 5.809 0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -19.785 6.172 2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -19.359 4.541 2.587 1.00 0.00 H new ATOM 131 N ASN A 83 -17.250 5.234 3.695 1.00 0.00 N ATOM 132 CA ASN A 83 -16.020 5.626 4.372 1.00 0.00 C ATOM 133 C ASN A 83 -15.425 4.440 5.113 1.00 0.00 C ATOM 134 O ASN A 83 -16.025 3.365 5.143 1.00 0.00 O ATOM 135 CB ASN A 83 -16.267 6.779 5.348 1.00 0.00 C ATOM 136 CG ASN A 83 -15.122 7.774 5.354 1.00 0.00 C ATOM 137 OD1 ASN A 83 -14.036 7.486 5.866 1.00 0.00 O ATOM 138 ND2 ASN A 83 -15.353 8.941 4.777 1.00 0.00 N ATOM 0 H ASN A 83 -17.688 4.392 4.068 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.315 5.966 3.613 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -17.191 7.291 5.078 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -16.406 6.380 6.353 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.618 9.647 4.742 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -16.266 9.135 4.367 1.00 0.00 H new ATOM 145 N SER A 84 -14.245 4.649 5.697 1.00 0.00 N ATOM 146 CA SER A 84 -13.551 3.621 6.474 1.00 0.00 C ATOM 147 C SER A 84 -13.192 2.402 5.622 1.00 0.00 C ATOM 148 O SER A 84 -13.800 1.341 5.746 1.00 0.00 O ATOM 149 CB SER A 84 -14.400 3.203 7.680 1.00 0.00 C ATOM 150 OG SER A 84 -14.864 4.348 8.382 1.00 0.00 O ATOM 0 H SER A 84 -13.743 5.535 5.645 1.00 0.00 H new ATOM 0 HA SER A 84 -12.616 4.054 6.829 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.248 2.606 7.346 1.00 0.00 H new ATOM 0 HB3 SER A 84 -13.810 2.574 8.347 1.00 0.00 H new ATOM 0 HG SER A 84 -15.406 4.065 9.148 1.00 0.00 H new ATOM 156 N GLY A 85 -12.195 2.565 4.761 1.00 0.00 N ATOM 157 CA GLY A 85 -11.724 1.446 3.972 1.00 0.00 C ATOM 158 C GLY A 85 -11.657 1.754 2.489 1.00 0.00 C ATOM 159 O GLY A 85 -12.571 1.427 1.738 1.00 0.00 O ATOM 0 H GLY A 85 -11.708 3.446 4.597 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -10.734 1.153 4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.384 0.593 4.131 1.00 0.00 H new ATOM 163 N ALA A 86 -10.569 2.376 2.061 1.00 0.00 N ATOM 164 CA ALA A 86 -10.377 2.688 0.652 1.00 0.00 C ATOM 165 C ALA A 86 -8.900 2.647 0.303 1.00 0.00 C ATOM 166 O ALA A 86 -8.050 2.995 1.124 1.00 0.00 O ATOM 167 CB ALA A 86 -10.962 4.052 0.307 1.00 0.00 C ATOM 0 H ALA A 86 -9.806 2.675 2.668 1.00 0.00 H new ATOM 0 HA ALA A 86 -10.903 1.936 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.804 4.258 -0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.031 4.054 0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.470 4.820 0.904 1.00 0.00 H new ATOM 173 N CYS A 87 -8.606 2.189 -0.901 1.00 0.00 N ATOM 174 CA CYS A 87 -7.244 2.146 -1.392 1.00 0.00 C ATOM 175 C CYS A 87 -6.696 3.551 -1.579 1.00 0.00 C ATOM 176 O CYS A 87 -7.414 4.464 -1.999 1.00 0.00 O ATOM 177 CB CYS A 87 -7.208 1.408 -2.722 1.00 0.00 C ATOM 178 SG CYS A 87 -5.598 0.685 -3.183 1.00 0.00 S ATOM 0 H CYS A 87 -9.301 1.839 -1.561 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.626 1.625 -0.661 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.949 0.609 -2.693 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.514 2.099 -3.508 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.764 -0.555 -3.535 1.00 0.00 H new ATOM 183 N SER A 88 -5.425 3.715 -1.269 1.00 0.00 N ATOM 184 CA SER A 88 -4.748 4.972 -1.508 1.00 0.00 C ATOM 185 C SER A 88 -4.022 4.918 -2.851 1.00 0.00 C ATOM 186 O SER A 88 -3.258 5.820 -3.197 1.00 0.00 O ATOM 187 CB SER A 88 -3.771 5.263 -0.367 1.00 0.00 C ATOM 188 OG SER A 88 -4.175 4.602 0.821 1.00 0.00 O ATOM 0 H SER A 88 -4.840 2.992 -0.850 1.00 0.00 H new ATOM 0 HA SER A 88 -5.479 5.780 -1.544 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.769 4.937 -0.648 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.719 6.338 -0.191 1.00 0.00 H new ATOM 0 HG SER A 88 -3.461 4.666 1.490 1.00 0.00 H new ATOM 194 N ALA A 89 -4.274 3.851 -3.609 1.00 0.00 N ATOM 195 CA ALA A 89 -3.635 3.669 -4.904 1.00 0.00 C ATOM 196 C ALA A 89 -4.660 3.628 -6.037 1.00 0.00 C ATOM 197 O ALA A 89 -4.611 4.463 -6.941 1.00 0.00 O ATOM 198 CB ALA A 89 -2.780 2.415 -4.906 1.00 0.00 C ATOM 0 H ALA A 89 -4.916 3.103 -3.346 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.989 4.530 -5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.311 2.296 -5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.009 2.499 -4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.406 1.548 -4.696 1.00 0.00 H new ATOM 204 N CYS A 90 -5.592 2.674 -5.998 1.00 0.00 N ATOM 205 CA CYS A 90 -6.598 2.590 -7.048 1.00 0.00 C ATOM 206 C CYS A 90 -7.831 3.407 -6.663 1.00 0.00 C ATOM 207 O CYS A 90 -8.051 4.498 -7.188 1.00 0.00 O ATOM 208 CB CYS A 90 -6.957 1.125 -7.393 1.00 0.00 C ATOM 209 SG CYS A 90 -7.781 0.144 -6.084 1.00 0.00 S ATOM 0 H CYS A 90 -5.668 1.966 -5.268 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.176 3.020 -7.957 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -7.604 1.132 -8.270 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -6.040 0.609 -7.677 1.00 0.00 H new ATOM 0 HG CYS A 90 -7.031 0.120 -5.022 1.00 0.00 H new ATOM 214 N GLY A 91 -8.614 2.898 -5.733 1.00 0.00 N ATOM 215 CA GLY A 91 -9.766 3.632 -5.254 1.00 0.00 C ATOM 216 C GLY A 91 -11.028 2.803 -5.269 1.00 0.00 C ATOM 217 O GLY A 91 -11.993 3.137 -5.958 1.00 0.00 O ATOM 0 H GLY A 91 -8.475 1.986 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.575 3.979 -4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.910 4.518 -5.872 1.00 0.00 H new ATOM 221 N GLN A 92 -11.025 1.717 -4.518 1.00 0.00 N ATOM 222 CA GLN A 92 -12.189 0.857 -4.427 1.00 0.00 C ATOM 223 C GLN A 92 -12.417 0.427 -2.990 1.00 0.00 C ATOM 224 O GLN A 92 -11.470 0.335 -2.204 1.00 0.00 O ATOM 225 CB GLN A 92 -12.021 -0.370 -5.325 1.00 0.00 C ATOM 226 CG GLN A 92 -12.975 -0.379 -6.506 1.00 0.00 C ATOM 227 CD GLN A 92 -14.420 -0.152 -6.098 1.00 0.00 C ATOM 228 OE1 GLN A 92 -15.157 -1.102 -5.838 1.00 0.00 O ATOM 229 NE2 GLN A 92 -14.835 1.107 -6.038 1.00 0.00 N ATOM 0 H GLN A 92 -10.227 1.410 -3.961 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.059 1.419 -4.766 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.996 -0.405 -5.694 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.178 -1.271 -4.732 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.677 0.394 -7.214 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.895 -1.334 -7.025 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.192 1.867 -6.261 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.797 1.315 -5.768 1.00 0.00 H new ATOM 238 N SER A 93 -13.674 0.186 -2.651 1.00 0.00 N ATOM 239 CA SER A 93 -14.035 -0.303 -1.334 1.00 0.00 C ATOM 240 C SER A 93 -13.566 -1.747 -1.167 1.00 0.00 C ATOM 241 O SER A 93 -13.975 -2.632 -1.920 1.00 0.00 O ATOM 242 CB SER A 93 -15.549 -0.197 -1.152 1.00 0.00 C ATOM 243 OG SER A 93 -16.118 0.660 -2.132 1.00 0.00 O ATOM 0 H SER A 93 -14.467 0.324 -3.278 1.00 0.00 H new ATOM 0 HA SER A 93 -13.547 0.303 -0.570 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.998 -1.187 -1.224 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.774 0.183 -0.156 1.00 0.00 H new ATOM 0 HG SER A 93 -17.033 0.370 -2.328 1.00 0.00 H new ATOM 249 N ILE A 94 -12.706 -1.974 -0.186 1.00 0.00 N ATOM 250 CA ILE A 94 -12.086 -3.279 0.006 1.00 0.00 C ATOM 251 C ILE A 94 -13.054 -4.280 0.648 1.00 0.00 C ATOM 252 O ILE A 94 -13.579 -4.044 1.740 1.00 0.00 O ATOM 253 CB ILE A 94 -10.811 -3.156 0.869 1.00 0.00 C ATOM 254 CG1 ILE A 94 -9.737 -2.372 0.109 1.00 0.00 C ATOM 255 CG2 ILE A 94 -10.285 -4.528 1.274 1.00 0.00 C ATOM 256 CD1 ILE A 94 -9.376 -1.057 0.762 1.00 0.00 C ATOM 0 H ILE A 94 -12.420 -1.269 0.493 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.816 -3.655 -0.981 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.066 -2.616 1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.840 -2.986 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.087 -2.181 -0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.387 -4.409 1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.046 -5.054 1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.045 -5.104 0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.610 -0.555 0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.262 -0.424 0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.995 -1.242 1.767 1.00 0.00 H new ATOM 268 N PRO A 95 -13.332 -5.396 -0.055 1.00 0.00 N ATOM 269 CA PRO A 95 -14.122 -6.507 0.473 1.00 0.00 C ATOM 270 C PRO A 95 -13.305 -7.383 1.422 1.00 0.00 C ATOM 271 O PRO A 95 -12.081 -7.299 1.458 1.00 0.00 O ATOM 272 CB PRO A 95 -14.519 -7.310 -0.778 1.00 0.00 C ATOM 273 CG PRO A 95 -13.995 -6.547 -1.952 1.00 0.00 C ATOM 274 CD PRO A 95 -12.903 -5.657 -1.432 1.00 0.00 C ATOM 0 HA PRO A 95 -14.977 -6.156 1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.095 -8.314 -0.746 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.601 -7.423 -0.840 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.612 -7.225 -2.715 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.786 -5.959 -2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -11.930 -6.146 -1.467 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.819 -4.738 -2.012 1.00 0.00 H new ATOM 282 N ALA A 96 -13.982 -8.244 2.173 1.00 0.00 N ATOM 283 CA ALA A 96 -13.301 -9.138 3.109 1.00 0.00 C ATOM 284 C ALA A 96 -12.554 -10.240 2.366 1.00 0.00 C ATOM 285 O ALA A 96 -11.626 -10.844 2.898 1.00 0.00 O ATOM 286 CB ALA A 96 -14.299 -9.741 4.087 1.00 0.00 C ATOM 0 H ALA A 96 -14.997 -8.344 2.154 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.572 -8.552 3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -13.777 -10.404 4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -14.786 -8.943 4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -15.050 -10.308 3.537 1.00 0.00 H new ATOM 292 N SER A 97 -12.964 -10.487 1.131 1.00 0.00 N ATOM 293 CA SER A 97 -12.346 -11.512 0.304 1.00 0.00 C ATOM 294 C SER A 97 -11.049 -11.008 -0.327 1.00 0.00 C ATOM 295 O SER A 97 -10.254 -11.791 -0.850 1.00 0.00 O ATOM 296 CB SER A 97 -13.329 -11.935 -0.784 1.00 0.00 C ATOM 297 OG SER A 97 -14.537 -11.190 -0.687 1.00 0.00 O ATOM 0 H SER A 97 -13.728 -9.987 0.677 1.00 0.00 H new ATOM 0 HA SER A 97 -12.098 -12.367 0.933 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.880 -11.783 -1.766 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.544 -13.000 -0.693 1.00 0.00 H new ATOM 0 HG SER A 97 -15.154 -11.474 -1.394 1.00 0.00 H new ATOM 303 N GLU A 98 -10.843 -9.699 -0.271 1.00 0.00 N ATOM 304 CA GLU A 98 -9.656 -9.084 -0.841 1.00 0.00 C ATOM 305 C GLU A 98 -8.705 -8.654 0.271 1.00 0.00 C ATOM 306 O GLU A 98 -9.067 -7.871 1.147 1.00 0.00 O ATOM 307 CB GLU A 98 -10.044 -7.884 -1.710 1.00 0.00 C ATOM 308 CG GLU A 98 -8.950 -7.453 -2.675 1.00 0.00 C ATOM 309 CD GLU A 98 -9.474 -6.636 -3.839 1.00 0.00 C ATOM 310 OE1 GLU A 98 -10.155 -5.618 -3.606 1.00 0.00 O ATOM 311 OE2 GLU A 98 -9.184 -6.999 -5.002 1.00 0.00 O ATOM 0 H GLU A 98 -11.488 -9.041 0.167 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.148 -9.814 -1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.941 -8.132 -2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -10.298 -7.044 -1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.206 -6.868 -2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.443 -8.338 -3.059 1.00 0.00 H new ATOM 318 N LEU A 99 -7.496 -9.185 0.241 1.00 0.00 N ATOM 319 CA LEU A 99 -6.514 -8.873 1.264 1.00 0.00 C ATOM 320 C LEU A 99 -5.776 -7.583 0.922 1.00 0.00 C ATOM 321 O LEU A 99 -5.425 -7.345 -0.237 1.00 0.00 O ATOM 322 CB LEU A 99 -5.523 -10.032 1.424 1.00 0.00 C ATOM 323 CG LEU A 99 -6.149 -11.427 1.507 1.00 0.00 C ATOM 324 CD1 LEU A 99 -5.064 -12.490 1.490 1.00 0.00 C ATOM 325 CD2 LEU A 99 -6.994 -11.557 2.765 1.00 0.00 C ATOM 0 H LEU A 99 -7.171 -9.832 -0.478 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.035 -8.730 2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.830 -10.013 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.935 -9.862 2.326 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.795 -11.570 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.521 -13.478 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.491 -12.410 0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.400 -12.346 2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.431 -12.554 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.367 -11.397 3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.790 -10.812 2.747 1.00 0.00 H new ATOM 337 N VAL A 100 -5.537 -6.756 1.932 1.00 0.00 N ATOM 338 CA VAL A 100 -4.875 -5.477 1.729 1.00 0.00 C ATOM 339 C VAL A 100 -3.527 -5.445 2.432 1.00 0.00 C ATOM 340 O VAL A 100 -3.361 -6.020 3.509 1.00 0.00 O ATOM 341 CB VAL A 100 -5.723 -4.290 2.233 1.00 0.00 C ATOM 342 CG1 VAL A 100 -6.480 -3.652 1.082 1.00 0.00 C ATOM 343 CG2 VAL A 100 -6.685 -4.725 3.328 1.00 0.00 C ATOM 0 H VAL A 100 -5.793 -6.950 2.900 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.738 -5.373 0.653 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.045 -3.550 2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.073 -2.817 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.772 -3.290 0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.140 -4.391 0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.268 -3.867 3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.356 -5.491 2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.121 -5.130 4.168 1.00 0.00 H new ATOM 353 N MET A 101 -2.572 -4.775 1.814 1.00 0.00 N ATOM 354 CA MET A 101 -1.236 -4.659 2.367 1.00 0.00 C ATOM 355 C MET A 101 -1.133 -3.403 3.219 1.00 0.00 C ATOM 356 O MET A 101 -1.343 -2.284 2.735 1.00 0.00 O ATOM 357 CB MET A 101 -0.197 -4.623 1.247 1.00 0.00 C ATOM 358 CG MET A 101 0.603 -5.905 1.104 1.00 0.00 C ATOM 359 SD MET A 101 0.206 -6.800 -0.408 1.00 0.00 S ATOM 360 CE MET A 101 1.762 -6.698 -1.287 1.00 0.00 C ATOM 0 H MET A 101 -2.699 -4.299 0.921 1.00 0.00 H new ATOM 0 HA MET A 101 -1.040 -5.529 2.994 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.702 -4.415 0.304 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.490 -3.797 1.429 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.667 -5.669 1.114 1.00 0.00 H new ATOM 0 HG3 MET A 101 0.411 -6.547 1.964 1.00 0.00 H new ATOM 0 HE1 MET A 101 1.817 -7.499 -2.024 1.00 0.00 H new ATOM 0 HE2 MET A 101 1.832 -5.735 -1.792 1.00 0.00 H new ATOM 0 HE3 MET A 101 2.586 -6.798 -0.581 1.00 0.00 H new ATOM 370 N ARG A 102 -0.817 -3.592 4.486 1.00 0.00 N ATOM 371 CA ARG A 102 -0.728 -2.486 5.422 1.00 0.00 C ATOM 372 C ARG A 102 0.711 -2.018 5.579 1.00 0.00 C ATOM 373 O ARG A 102 1.538 -2.715 6.165 1.00 0.00 O ATOM 374 CB ARG A 102 -1.299 -2.905 6.776 1.00 0.00 C ATOM 375 CG ARG A 102 -1.693 -1.731 7.651 1.00 0.00 C ATOM 376 CD ARG A 102 -3.100 -1.256 7.340 1.00 0.00 C ATOM 377 NE ARG A 102 -3.450 -0.051 8.096 1.00 0.00 N ATOM 378 CZ ARG A 102 -3.836 -0.050 9.376 1.00 0.00 C ATOM 379 NH1 ARG A 102 -3.951 -1.195 10.043 1.00 0.00 N ATOM 380 NH2 ARG A 102 -4.108 1.100 9.990 1.00 0.00 N ATOM 0 H ARG A 102 -0.617 -4.506 4.893 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.312 -1.654 5.028 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.172 -3.537 6.614 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.560 -3.510 7.302 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.628 -2.019 8.700 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.990 -0.912 7.502 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.187 -1.053 6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.811 -2.049 7.572 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.396 0.846 7.614 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.744 -2.079 9.578 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.246 -1.189 11.019 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.022 1.981 9.484 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.402 1.100 10.967 1.00 0.00 H new ATOM 394 N ALA A 103 1.007 -0.841 5.041 1.00 0.00 N ATOM 395 CA ALA A 103 2.320 -0.240 5.205 1.00 0.00 C ATOM 396 C ALA A 103 2.405 0.478 6.547 1.00 0.00 C ATOM 397 O ALA A 103 3.423 0.420 7.234 1.00 0.00 O ATOM 398 CB ALA A 103 2.611 0.720 4.061 1.00 0.00 C ATOM 0 H ALA A 103 0.354 -0.286 4.488 1.00 0.00 H new ATOM 0 HA ALA A 103 3.072 -1.029 5.187 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.598 1.162 4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.585 0.178 3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 103 1.859 1.509 4.048 1.00 0.00 H new ATOM 404 N GLN A 104 1.318 1.154 6.906 1.00 0.00 N ATOM 405 CA GLN A 104 1.203 1.840 8.188 1.00 0.00 C ATOM 406 C GLN A 104 -0.209 2.395 8.346 1.00 0.00 C ATOM 407 O GLN A 104 -1.151 1.640 8.569 1.00 0.00 O ATOM 408 CB GLN A 104 2.233 2.968 8.314 1.00 0.00 C ATOM 409 CG GLN A 104 2.584 3.309 9.754 1.00 0.00 C ATOM 410 CD GLN A 104 4.047 3.080 10.085 1.00 0.00 C ATOM 411 OE1 GLN A 104 4.610 3.763 10.943 1.00 0.00 O ATOM 412 NE2 GLN A 104 4.674 2.119 9.422 1.00 0.00 N ATOM 0 H GLN A 104 0.491 1.242 6.315 1.00 0.00 H new ATOM 0 HA GLN A 104 1.403 1.120 8.981 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.142 2.681 7.785 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.846 3.860 7.821 1.00 0.00 H new ATOM 0 HG2 GLN A 104 2.335 4.353 9.944 1.00 0.00 H new ATOM 0 HG3 GLN A 104 1.969 2.707 10.423 1.00 0.00 H new ATOM 0 HE21 GLN A 104 4.174 1.575 8.719 1.00 0.00 H new ATOM 0 HE22 GLN A 104 5.656 1.924 9.615 1.00 0.00 H new ATOM 421 N GLY A 105 -0.359 3.710 8.211 1.00 0.00 N ATOM 422 CA GLY A 105 -1.675 4.313 8.277 1.00 0.00 C ATOM 423 C GLY A 105 -2.455 4.099 6.995 1.00 0.00 C ATOM 424 O GLY A 105 -3.680 3.985 7.017 1.00 0.00 O ATOM 0 H GLY A 105 0.407 4.366 8.057 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.228 3.888 9.115 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.576 5.381 8.469 1.00 0.00 H new ATOM 428 N ASN A 106 -1.734 4.008 5.883 1.00 0.00 N ATOM 429 CA ASN A 106 -2.351 3.869 4.564 1.00 0.00 C ATOM 430 C ASN A 106 -2.565 2.402 4.214 1.00 0.00 C ATOM 431 O ASN A 106 -1.917 1.516 4.783 1.00 0.00 O ATOM 432 CB ASN A 106 -1.467 4.526 3.500 1.00 0.00 C ATOM 433 CG ASN A 106 -1.837 5.973 3.236 1.00 0.00 C ATOM 434 OD1 ASN A 106 -2.451 6.634 4.074 1.00 0.00 O ATOM 435 ND2 ASN A 106 -1.459 6.479 2.072 1.00 0.00 N ATOM 0 H ASN A 106 -0.714 4.028 5.867 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.321 4.365 4.590 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -0.426 4.475 3.818 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -1.545 3.961 2.571 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -1.675 7.449 1.843 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.952 5.898 1.404 1.00 0.00 H new ATOM 442 N VAL A 107 -3.472 2.153 3.274 1.00 0.00 N ATOM 443 CA VAL A 107 -3.788 0.797 2.839 1.00 0.00 C ATOM 444 C VAL A 107 -3.719 0.685 1.322 1.00 0.00 C ATOM 445 O VAL A 107 -4.207 1.558 0.600 1.00 0.00 O ATOM 446 CB VAL A 107 -5.192 0.340 3.303 1.00 0.00 C ATOM 447 CG1 VAL A 107 -5.074 -0.804 4.296 1.00 0.00 C ATOM 448 CG2 VAL A 107 -5.988 1.497 3.901 1.00 0.00 C ATOM 0 H VAL A 107 -4.005 2.880 2.796 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.042 0.149 3.299 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.736 -0.013 2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.069 -1.115 4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.565 -1.644 3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.503 -0.475 5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -6.968 1.140 4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.454 1.899 4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.110 2.280 3.152 1.00 0.00 H new ATOM 458 N TYR A 108 -3.104 -0.388 0.846 1.00 0.00 N ATOM 459 CA TYR A 108 -2.961 -0.616 -0.586 1.00 0.00 C ATOM 460 C TYR A 108 -3.275 -2.068 -0.928 1.00 0.00 C ATOM 461 O TYR A 108 -3.314 -2.926 -0.047 1.00 0.00 O ATOM 462 CB TYR A 108 -1.540 -0.275 -1.047 1.00 0.00 C ATOM 463 CG TYR A 108 -1.104 1.133 -0.700 1.00 0.00 C ATOM 464 CD1 TYR A 108 -1.417 2.200 -1.533 1.00 0.00 C ATOM 465 CD2 TYR A 108 -0.386 1.395 0.462 1.00 0.00 C ATOM 466 CE1 TYR A 108 -1.030 3.487 -1.217 1.00 0.00 C ATOM 467 CE2 TYR A 108 0.004 2.680 0.784 1.00 0.00 C ATOM 468 CZ TYR A 108 -0.321 3.724 -0.059 1.00 0.00 C ATOM 469 OH TYR A 108 0.068 5.006 0.259 1.00 0.00 O ATOM 0 H TYR A 108 -2.695 -1.116 1.431 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.667 0.033 -1.104 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.843 -0.982 -0.597 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.477 -0.409 -2.127 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.972 2.020 -2.442 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.129 0.580 1.123 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.282 4.305 -1.875 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.560 2.867 1.691 1.00 0.00 H new ATOM 0 HH TYR A 108 -0.237 5.623 -0.439 1.00 0.00 H new ATOM 479 N HIS A 109 -3.489 -2.345 -2.207 1.00 0.00 N ATOM 480 CA HIS A 109 -3.781 -3.704 -2.658 1.00 0.00 C ATOM 481 C HIS A 109 -2.497 -4.422 -3.059 1.00 0.00 C ATOM 482 O HIS A 109 -1.438 -3.806 -3.140 1.00 0.00 O ATOM 483 CB HIS A 109 -4.723 -3.687 -3.861 1.00 0.00 C ATOM 484 CG HIS A 109 -6.171 -3.518 -3.523 1.00 0.00 C ATOM 485 ND1 HIS A 109 -6.865 -2.388 -3.872 1.00 0.00 N ATOM 486 CD2 HIS A 109 -7.019 -4.380 -2.915 1.00 0.00 C ATOM 487 CE1 HIS A 109 -8.110 -2.579 -3.483 1.00 0.00 C ATOM 488 NE2 HIS A 109 -8.256 -3.780 -2.889 1.00 0.00 N ATOM 0 H HIS A 109 -3.467 -1.649 -2.952 1.00 0.00 H new ATOM 0 HA HIS A 109 -4.256 -4.229 -1.830 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -4.423 -2.878 -4.528 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -4.600 -4.618 -4.414 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.771 -5.356 -2.524 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -8.909 -1.866 -3.622 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -9.115 -4.167 -2.497 1.00 0.00 H new ATOM 496 N LEU A 110 -2.603 -5.718 -3.339 1.00 0.00 N ATOM 497 CA LEU A 110 -1.466 -6.497 -3.835 1.00 0.00 C ATOM 498 C LEU A 110 -1.034 -6.002 -5.216 1.00 0.00 C ATOM 499 O LEU A 110 0.137 -6.081 -5.587 1.00 0.00 O ATOM 500 CB LEU A 110 -1.831 -7.982 -3.918 1.00 0.00 C ATOM 501 CG LEU A 110 -1.822 -8.726 -2.584 1.00 0.00 C ATOM 502 CD1 LEU A 110 -3.221 -9.209 -2.231 1.00 0.00 C ATOM 503 CD2 LEU A 110 -0.851 -9.896 -2.632 1.00 0.00 C ATOM 0 H LEU A 110 -3.464 -6.254 -3.232 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.639 -6.368 -3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.823 -8.072 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.134 -8.474 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.491 -8.035 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.194 -9.737 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.892 -8.354 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.580 -9.883 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.858 -10.414 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.152 -10.587 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.154 -9.527 -2.838 1.00 0.00 H new ATOM 515 N LYS A 111 -2.006 -5.507 -5.972 1.00 0.00 N ATOM 516 CA LYS A 111 -1.767 -4.989 -7.314 1.00 0.00 C ATOM 517 C LYS A 111 -1.442 -3.496 -7.271 1.00 0.00 C ATOM 518 O LYS A 111 -0.961 -2.921 -8.248 1.00 0.00 O ATOM 519 CB LYS A 111 -3.001 -5.231 -8.194 1.00 0.00 C ATOM 520 CG LYS A 111 -4.324 -4.920 -7.504 1.00 0.00 C ATOM 521 CD LYS A 111 -5.329 -6.054 -7.685 1.00 0.00 C ATOM 522 CE LYS A 111 -6.728 -5.643 -7.239 1.00 0.00 C ATOM 523 NZ LYS A 111 -7.674 -6.795 -7.197 1.00 0.00 N ATOM 0 H LYS A 111 -2.980 -5.453 -5.674 1.00 0.00 H new ATOM 0 HA LYS A 111 -0.912 -5.514 -7.739 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.919 -4.620 -9.093 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.007 -6.272 -8.516 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.151 -4.752 -6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.739 -3.997 -7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -5.354 -6.354 -8.733 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.005 -6.923 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.672 -5.187 -6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.115 -4.884 -7.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.449 -6.632 -7.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -7.170 -7.668 -7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.064 -6.889 -6.237 1.00 0.00 H new ATOM 537 N CYS A 112 -1.699 -2.881 -6.127 1.00 0.00 N ATOM 538 CA CYS A 112 -1.562 -1.441 -5.982 1.00 0.00 C ATOM 539 C CYS A 112 -0.293 -1.057 -5.220 1.00 0.00 C ATOM 540 O CYS A 112 0.183 0.074 -5.324 1.00 0.00 O ATOM 541 CB CYS A 112 -2.803 -0.893 -5.285 1.00 0.00 C ATOM 542 SG CYS A 112 -4.347 -1.438 -6.080 1.00 0.00 S ATOM 0 H CYS A 112 -2.006 -3.361 -5.281 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.471 -1.000 -6.975 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.802 -1.213 -4.243 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.764 0.196 -5.284 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.253 -1.648 -5.171 1.00 0.00 H new ATOM 547 N PHE A 113 0.247 -1.998 -4.457 1.00 0.00 N ATOM 548 CA PHE A 113 1.485 -1.767 -3.722 1.00 0.00 C ATOM 549 C PHE A 113 2.644 -1.548 -4.693 1.00 0.00 C ATOM 550 O PHE A 113 3.202 -2.504 -5.225 1.00 0.00 O ATOM 551 CB PHE A 113 1.784 -2.955 -2.794 1.00 0.00 C ATOM 552 CG PHE A 113 2.176 -2.552 -1.395 1.00 0.00 C ATOM 553 CD1 PHE A 113 2.026 -1.238 -0.975 1.00 0.00 C ATOM 554 CD2 PHE A 113 2.691 -3.484 -0.498 1.00 0.00 C ATOM 555 CE1 PHE A 113 2.383 -0.861 0.305 1.00 0.00 C ATOM 556 CE2 PHE A 113 3.048 -3.108 0.783 1.00 0.00 C ATOM 557 CZ PHE A 113 2.894 -1.794 1.184 1.00 0.00 C ATOM 0 H PHE A 113 -0.152 -2.928 -4.330 1.00 0.00 H new ATOM 0 HA PHE A 113 1.367 -0.871 -3.113 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.903 -3.595 -2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.587 -3.550 -3.229 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.626 -0.502 -1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 113 2.813 -4.512 -0.807 1.00 0.00 H new ATOM 0 HE1 PHE A 113 2.262 0.165 0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.447 -3.840 1.470 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.173 -1.498 2.184 1.00 0.00 H new ATOM 567 N THR A 114 2.984 -0.285 -4.936 1.00 0.00 N ATOM 568 CA THR A 114 4.047 0.068 -5.870 1.00 0.00 C ATOM 569 C THR A 114 4.750 1.344 -5.407 1.00 0.00 C ATOM 570 O THR A 114 4.195 2.092 -4.601 1.00 0.00 O ATOM 571 CB THR A 114 3.486 0.305 -7.290 1.00 0.00 C ATOM 572 OG1 THR A 114 2.232 1.001 -7.216 1.00 0.00 O ATOM 573 CG2 THR A 114 3.282 -0.998 -8.036 1.00 0.00 C ATOM 0 H THR A 114 2.534 0.517 -4.494 1.00 0.00 H new ATOM 0 HA THR A 114 4.751 -0.763 -5.897 1.00 0.00 H new ATOM 0 HB THR A 114 4.217 0.905 -7.832 1.00 0.00 H new ATOM 0 HG1 THR A 114 1.609 0.494 -6.655 1.00 0.00 H new ATOM 0 HG21 THR A 114 2.887 -0.790 -9.030 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.235 -1.519 -8.126 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.577 -1.624 -7.489 1.00 0.00 H new ATOM 581 N CYS A 115 5.960 1.590 -5.901 1.00 0.00 N ATOM 582 CA CYS A 115 6.650 2.833 -5.605 1.00 0.00 C ATOM 583 C CYS A 115 6.193 3.932 -6.559 1.00 0.00 C ATOM 584 O CYS A 115 5.768 3.656 -7.684 1.00 0.00 O ATOM 585 CB CYS A 115 8.164 2.653 -5.697 1.00 0.00 C ATOM 586 SG CYS A 115 8.740 1.886 -7.243 1.00 0.00 S ATOM 0 H CYS A 115 6.476 0.948 -6.503 1.00 0.00 H new ATOM 0 HA CYS A 115 6.402 3.124 -4.584 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.640 3.628 -5.590 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.496 2.042 -4.857 1.00 0.00 H new ATOM 0 HG CYS A 115 9.889 1.312 -7.041 1.00 0.00 H new ATOM 591 N SER A 116 6.281 5.172 -6.111 1.00 0.00 N ATOM 592 CA SER A 116 5.873 6.305 -6.925 1.00 0.00 C ATOM 593 C SER A 116 6.924 6.635 -7.984 1.00 0.00 C ATOM 594 O SER A 116 6.641 7.343 -8.951 1.00 0.00 O ATOM 595 CB SER A 116 5.631 7.525 -6.033 1.00 0.00 C ATOM 596 OG SER A 116 6.043 7.269 -4.697 1.00 0.00 O ATOM 0 H SER A 116 6.632 5.421 -5.186 1.00 0.00 H new ATOM 0 HA SER A 116 4.949 6.039 -7.438 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.176 8.382 -6.428 1.00 0.00 H new ATOM 0 HB3 SER A 116 4.573 7.786 -6.047 1.00 0.00 H new ATOM 0 HG SER A 116 5.880 8.063 -4.147 1.00 0.00 H new ATOM 602 N THR A 117 8.131 6.110 -7.807 1.00 0.00 N ATOM 603 CA THR A 117 9.244 6.465 -8.670 1.00 0.00 C ATOM 604 C THR A 117 9.359 5.550 -9.894 1.00 0.00 C ATOM 605 O THR A 117 9.426 6.033 -11.028 1.00 0.00 O ATOM 606 CB THR A 117 10.559 6.435 -7.878 1.00 0.00 C ATOM 607 OG1 THR A 117 10.273 6.522 -6.473 1.00 0.00 O ATOM 608 CG2 THR A 117 11.464 7.585 -8.285 1.00 0.00 C ATOM 0 H THR A 117 8.361 5.439 -7.074 1.00 0.00 H new ATOM 0 HA THR A 117 9.050 7.474 -9.035 1.00 0.00 H new ATOM 0 HB THR A 117 11.073 5.499 -8.095 1.00 0.00 H new ATOM 0 HG1 THR A 117 11.111 6.494 -5.966 1.00 0.00 H new ATOM 0 HG21 THR A 117 12.389 7.541 -7.710 1.00 0.00 H new ATOM 0 HG22 THR A 117 11.694 7.509 -9.348 1.00 0.00 H new ATOM 0 HG23 THR A 117 10.960 8.531 -8.090 1.00 0.00 H new ATOM 616 N CYS A 118 9.359 4.237 -9.679 1.00 0.00 N ATOM 617 CA CYS A 118 9.508 3.299 -10.787 1.00 0.00 C ATOM 618 C CYS A 118 8.233 2.496 -11.008 1.00 0.00 C ATOM 619 O CYS A 118 8.060 1.878 -12.061 1.00 0.00 O ATOM 620 CB CYS A 118 10.692 2.355 -10.543 1.00 0.00 C ATOM 621 SG CYS A 118 11.836 2.903 -9.233 1.00 0.00 S ATOM 0 H CYS A 118 9.259 3.803 -8.761 1.00 0.00 H new ATOM 0 HA CYS A 118 9.703 3.881 -11.688 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.307 1.369 -10.283 1.00 0.00 H new ATOM 0 HB3 CYS A 118 11.250 2.244 -11.473 1.00 0.00 H new ATOM 0 HG CYS A 118 11.942 1.972 -8.332 1.00 0.00 H new ATOM 626 N ARG A 119 7.347 2.521 -10.013 1.00 0.00 N ATOM 627 CA ARG A 119 6.115 1.740 -10.036 1.00 0.00 C ATOM 628 C ARG A 119 6.434 0.254 -9.947 1.00 0.00 C ATOM 629 O ARG A 119 5.773 -0.579 -10.569 1.00 0.00 O ATOM 630 CB ARG A 119 5.283 2.036 -11.290 1.00 0.00 C ATOM 631 CG ARG A 119 4.156 3.027 -11.052 1.00 0.00 C ATOM 632 CD ARG A 119 2.872 2.331 -10.625 1.00 0.00 C ATOM 633 NE ARG A 119 1.980 2.071 -11.755 1.00 0.00 N ATOM 634 CZ ARG A 119 1.342 3.019 -12.441 1.00 0.00 C ATOM 635 NH1 ARG A 119 1.434 4.293 -12.078 1.00 0.00 N ATOM 636 NH2 ARG A 119 0.586 2.679 -13.476 1.00 0.00 N ATOM 0 H ARG A 119 7.465 3.083 -9.170 1.00 0.00 H new ATOM 0 HA ARG A 119 5.519 2.029 -9.170 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.940 2.425 -12.068 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.862 1.103 -11.665 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.455 3.740 -10.284 1.00 0.00 H new ATOM 0 HG3 ARG A 119 3.975 3.597 -11.963 1.00 0.00 H new ATOM 0 HD2 ARG A 119 3.118 1.389 -10.134 1.00 0.00 H new ATOM 0 HD3 ARG A 119 2.354 2.947 -9.890 1.00 0.00 H new ATOM 0 HE ARG A 119 1.837 1.101 -12.036 1.00 0.00 H new ATOM 0 HH11 ARG A 119 1.997 4.553 -11.268 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.942 5.011 -12.609 1.00 0.00 H new ATOM 0 HH21 ARG A 119 0.496 1.698 -13.742 1.00 0.00 H new ATOM 0 HH22 ARG A 119 0.094 3.398 -14.006 1.00 0.00 H new ATOM 650 N ASN A 120 7.460 -0.073 -9.171 1.00 0.00 N ATOM 651 CA ASN A 120 7.813 -1.462 -8.921 1.00 0.00 C ATOM 652 C ASN A 120 6.794 -2.074 -7.968 1.00 0.00 C ATOM 653 O ASN A 120 6.553 -1.544 -6.882 1.00 0.00 O ATOM 654 CB ASN A 120 9.224 -1.568 -8.331 1.00 0.00 C ATOM 655 CG ASN A 120 9.745 -2.992 -8.320 1.00 0.00 C ATOM 656 OD1 ASN A 120 9.410 -3.795 -9.194 1.00 0.00 O ATOM 657 ND2 ASN A 120 10.587 -3.305 -7.350 1.00 0.00 N ATOM 0 H ASN A 120 8.061 0.606 -8.705 1.00 0.00 H new ATOM 0 HA ASN A 120 7.803 -2.007 -9.865 1.00 0.00 H new ATOM 0 HB2 ASN A 120 9.903 -0.941 -8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.218 -1.179 -7.313 1.00 0.00 H new ATOM 0 HD21 ASN A 120 10.987 -4.242 -7.304 1.00 0.00 H new ATOM 0 HD22 ASN A 120 10.837 -2.609 -6.647 1.00 0.00 H new ATOM 664 N ARG A 121 6.165 -3.159 -8.387 1.00 0.00 N ATOM 665 CA ARG A 121 5.113 -3.768 -7.594 1.00 0.00 C ATOM 666 C ARG A 121 5.698 -4.515 -6.406 1.00 0.00 C ATOM 667 O ARG A 121 6.286 -5.586 -6.560 1.00 0.00 O ATOM 668 CB ARG A 121 4.276 -4.713 -8.458 1.00 0.00 C ATOM 669 CG ARG A 121 2.835 -4.265 -8.621 1.00 0.00 C ATOM 670 CD ARG A 121 1.860 -5.380 -8.289 1.00 0.00 C ATOM 671 NE ARG A 121 2.231 -6.635 -8.938 1.00 0.00 N ATOM 672 CZ ARG A 121 2.185 -7.828 -8.348 1.00 0.00 C ATOM 673 NH1 ARG A 121 1.751 -7.941 -7.097 1.00 0.00 N ATOM 674 NH2 ARG A 121 2.573 -8.907 -9.020 1.00 0.00 N ATOM 0 H ARG A 121 6.364 -3.634 -9.268 1.00 0.00 H new ATOM 0 HA ARG A 121 4.467 -2.976 -7.215 1.00 0.00 H new ATOM 0 HB2 ARG A 121 4.736 -4.796 -9.443 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.291 -5.708 -8.014 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.644 -3.410 -7.973 1.00 0.00 H new ATOM 0 HG3 ARG A 121 2.671 -3.931 -9.646 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.827 -5.525 -7.209 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.857 -5.091 -8.602 1.00 0.00 H new ATOM 0 HE ARG A 121 2.546 -6.595 -9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.451 -7.112 -6.584 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.718 -8.857 -6.650 1.00 0.00 H new ATOM 0 HH21 ARG A 121 2.903 -8.818 -9.981 1.00 0.00 H new ATOM 0 HH22 ARG A 121 2.541 -9.824 -8.575 1.00 0.00 H new ATOM 688 N LEU A 122 5.536 -3.937 -5.225 1.00 0.00 N ATOM 689 CA LEU A 122 6.038 -4.527 -3.999 1.00 0.00 C ATOM 690 C LEU A 122 5.298 -5.823 -3.704 1.00 0.00 C ATOM 691 O LEU A 122 4.070 -5.882 -3.779 1.00 0.00 O ATOM 692 CB LEU A 122 5.888 -3.544 -2.836 1.00 0.00 C ATOM 693 CG LEU A 122 6.006 -2.059 -3.212 1.00 0.00 C ATOM 694 CD1 LEU A 122 5.507 -1.174 -2.078 1.00 0.00 C ATOM 695 CD2 LEU A 122 7.446 -1.709 -3.568 1.00 0.00 C ATOM 0 H LEU A 122 5.054 -3.048 -5.093 1.00 0.00 H new ATOM 0 HA LEU A 122 7.097 -4.752 -4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 122 4.918 -3.707 -2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 122 6.646 -3.774 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 122 5.381 -1.879 -4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 122 5.600 -0.127 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.461 -1.402 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.102 -1.358 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.509 -0.653 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.091 -1.909 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.769 -2.314 -4.415 1.00 0.00 H new ATOM 707 N VAL A 123 6.054 -6.848 -3.358 1.00 0.00 N ATOM 708 CA VAL A 123 5.516 -8.190 -3.212 1.00 0.00 C ATOM 709 C VAL A 123 6.009 -8.802 -1.905 1.00 0.00 C ATOM 710 O VAL A 123 7.146 -8.553 -1.503 1.00 0.00 O ATOM 711 CB VAL A 123 5.950 -9.079 -4.414 1.00 0.00 C ATOM 712 CG1 VAL A 123 5.809 -10.568 -4.108 1.00 0.00 C ATOM 713 CG2 VAL A 123 5.153 -8.714 -5.662 1.00 0.00 C ATOM 0 H VAL A 123 7.054 -6.776 -3.171 1.00 0.00 H new ATOM 0 HA VAL A 123 4.428 -8.135 -3.195 1.00 0.00 H new ATOM 0 HB VAL A 123 7.007 -8.884 -4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.123 -11.149 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 123 6.435 -10.825 -3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 123 4.768 -10.795 -3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 123 5.469 -9.345 -6.493 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.091 -8.868 -5.473 1.00 0.00 H new ATOM 0 HG23 VAL A 123 5.329 -7.668 -5.913 1.00 0.00 H new ATOM 723 N PRO A 124 5.163 -9.573 -1.200 1.00 0.00 N ATOM 724 CA PRO A 124 5.596 -10.309 -0.016 1.00 0.00 C ATOM 725 C PRO A 124 6.758 -11.241 -0.354 1.00 0.00 C ATOM 726 O PRO A 124 6.588 -12.246 -1.047 1.00 0.00 O ATOM 727 CB PRO A 124 4.352 -11.108 0.395 1.00 0.00 C ATOM 728 CG PRO A 124 3.208 -10.372 -0.213 1.00 0.00 C ATOM 729 CD PRO A 124 3.732 -9.777 -1.490 1.00 0.00 C ATOM 0 HA PRO A 124 5.957 -9.657 0.780 1.00 0.00 H new ATOM 0 HB2 PRO A 124 4.402 -12.133 0.029 1.00 0.00 H new ATOM 0 HB3 PRO A 124 4.257 -11.161 1.480 1.00 0.00 H new ATOM 0 HG2 PRO A 124 2.372 -11.043 -0.409 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.842 -9.595 0.459 1.00 0.00 H new ATOM 0 HD2 PRO A 124 3.584 -10.446 -2.337 1.00 0.00 H new ATOM 0 HD3 PRO A 124 3.232 -8.839 -1.733 1.00 0.00 H new ATOM 737 N GLY A 125 7.936 -10.899 0.139 1.00 0.00 N ATOM 738 CA GLY A 125 9.133 -11.639 -0.212 1.00 0.00 C ATOM 739 C GLY A 125 10.134 -10.765 -0.947 1.00 0.00 C ATOM 740 O GLY A 125 11.298 -11.137 -1.116 1.00 0.00 O ATOM 0 H GLY A 125 8.088 -10.119 0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 125 9.593 -12.039 0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 125 8.865 -12.491 -0.837 1.00 0.00 H new ATOM 744 N ASP A 126 9.665 -9.604 -1.389 1.00 0.00 N ATOM 745 CA ASP A 126 10.515 -8.605 -2.033 1.00 0.00 C ATOM 746 C ASP A 126 10.700 -7.428 -1.082 1.00 0.00 C ATOM 747 O ASP A 126 10.003 -7.341 -0.066 1.00 0.00 O ATOM 748 CB ASP A 126 9.896 -8.126 -3.355 1.00 0.00 C ATOM 749 CG ASP A 126 10.875 -8.185 -4.514 1.00 0.00 C ATOM 750 OD1 ASP A 126 11.991 -8.714 -4.326 1.00 0.00 O ATOM 751 OD2 ASP A 126 10.529 -7.719 -5.622 1.00 0.00 O ATOM 0 H ASP A 126 8.686 -9.327 -1.312 1.00 0.00 H new ATOM 0 HA ASP A 126 11.482 -9.053 -2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 126 9.026 -8.740 -3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.541 -7.102 -3.236 1.00 0.00 H new ATOM 756 N ARG A 127 11.617 -6.529 -1.402 1.00 0.00 N ATOM 757 CA ARG A 127 11.952 -5.431 -0.495 1.00 0.00 C ATOM 758 C ARG A 127 11.267 -4.131 -0.917 1.00 0.00 C ATOM 759 O ARG A 127 11.081 -3.870 -2.106 1.00 0.00 O ATOM 760 CB ARG A 127 13.473 -5.222 -0.429 1.00 0.00 C ATOM 761 CG ARG A 127 14.268 -6.491 -0.156 1.00 0.00 C ATOM 762 CD ARG A 127 15.534 -6.546 -1.002 1.00 0.00 C ATOM 763 NE ARG A 127 16.034 -7.916 -1.168 1.00 0.00 N ATOM 764 CZ ARG A 127 15.608 -8.763 -2.112 1.00 0.00 C ATOM 765 NH1 ARG A 127 14.674 -8.395 -2.973 1.00 0.00 N ATOM 766 NH2 ARG A 127 16.132 -9.977 -2.204 1.00 0.00 N ATOM 0 H ARG A 127 12.142 -6.533 -2.276 1.00 0.00 H new ATOM 0 HA ARG A 127 11.589 -5.705 0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.810 -4.792 -1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.694 -4.494 0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 127 14.532 -6.537 0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 127 13.649 -7.363 -0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 127 15.332 -6.114 -1.982 1.00 0.00 H new ATOM 0 HD3 ARG A 127 16.306 -5.934 -0.536 1.00 0.00 H new ATOM 0 HE ARG A 127 16.752 -8.243 -0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 127 14.272 -7.459 -2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 127 14.355 -9.047 -3.689 1.00 0.00 H new ATOM 0 HH21 ARG A 127 16.862 -10.268 -1.554 1.00 0.00 H new ATOM 0 HH22 ARG A 127 15.805 -10.620 -2.925 1.00 0.00 H new ATOM 780 N PHE A 128 10.889 -3.324 0.072 1.00 0.00 N ATOM 781 CA PHE A 128 10.220 -2.051 -0.166 1.00 0.00 C ATOM 782 C PHE A 128 10.597 -1.054 0.927 1.00 0.00 C ATOM 783 O PHE A 128 11.254 -1.422 1.901 1.00 0.00 O ATOM 784 CB PHE A 128 8.695 -2.263 -0.222 1.00 0.00 C ATOM 785 CG PHE A 128 7.955 -1.936 1.050 1.00 0.00 C ATOM 786 CD1 PHE A 128 8.108 -2.716 2.185 1.00 0.00 C ATOM 787 CD2 PHE A 128 7.097 -0.846 1.103 1.00 0.00 C ATOM 788 CE1 PHE A 128 7.424 -2.414 3.346 1.00 0.00 C ATOM 789 CE2 PHE A 128 6.411 -0.543 2.262 1.00 0.00 C ATOM 790 CZ PHE A 128 6.575 -1.328 3.384 1.00 0.00 C ATOM 0 H PHE A 128 11.038 -3.535 1.059 1.00 0.00 H new ATOM 0 HA PHE A 128 10.543 -1.644 -1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.288 -1.651 -1.028 1.00 0.00 H new ATOM 0 HB3 PHE A 128 8.498 -3.303 -0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 128 8.769 -3.569 2.161 1.00 0.00 H new ATOM 0 HD2 PHE A 128 6.965 -0.228 0.227 1.00 0.00 H new ATOM 0 HE1 PHE A 128 7.554 -3.029 4.225 1.00 0.00 H new ATOM 0 HE2 PHE A 128 5.747 0.308 2.290 1.00 0.00 H new ATOM 0 HZ PHE A 128 6.039 -1.092 4.292 1.00 0.00 H new ATOM 800 N HIS A 129 10.199 0.200 0.761 1.00 0.00 N ATOM 801 CA HIS A 129 10.473 1.220 1.760 1.00 0.00 C ATOM 802 C HIS A 129 9.289 2.166 1.924 1.00 0.00 C ATOM 803 O HIS A 129 8.640 2.547 0.948 1.00 0.00 O ATOM 804 CB HIS A 129 11.730 2.010 1.393 1.00 0.00 C ATOM 805 CG HIS A 129 12.948 1.560 2.139 1.00 0.00 C ATOM 806 ND1 HIS A 129 13.257 2.061 3.383 1.00 0.00 N ATOM 807 CD2 HIS A 129 13.883 0.647 1.784 1.00 0.00 C ATOM 808 CE1 HIS A 129 14.363 1.442 3.756 1.00 0.00 C ATOM 809 NE2 HIS A 129 14.782 0.579 2.819 1.00 0.00 N ATOM 0 H HIS A 129 9.686 0.534 -0.055 1.00 0.00 H new ATOM 0 HA HIS A 129 10.639 0.714 2.711 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.912 1.915 0.322 1.00 0.00 H new ATOM 0 HB3 HIS A 129 11.558 3.067 1.594 1.00 0.00 H new ATOM 0 HD1 HIS A 129 12.739 2.765 3.909 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.915 0.082 0.864 1.00 0.00 H new ATOM 0 HE1 HIS A 129 14.866 1.610 4.697 1.00 0.00 H new ATOM 817 N TYR A 130 9.010 2.528 3.168 1.00 0.00 N ATOM 818 CA TYR A 130 7.933 3.440 3.499 1.00 0.00 C ATOM 819 C TYR A 130 8.504 4.605 4.299 1.00 0.00 C ATOM 820 O TYR A 130 8.822 4.463 5.481 1.00 0.00 O ATOM 821 CB TYR A 130 6.862 2.696 4.306 1.00 0.00 C ATOM 822 CG TYR A 130 5.558 3.446 4.485 1.00 0.00 C ATOM 823 CD1 TYR A 130 4.691 3.635 3.419 1.00 0.00 C ATOM 824 CD2 TYR A 130 5.186 3.940 5.727 1.00 0.00 C ATOM 825 CE1 TYR A 130 3.488 4.295 3.587 1.00 0.00 C ATOM 826 CE2 TYR A 130 3.989 4.607 5.904 1.00 0.00 C ATOM 827 CZ TYR A 130 3.138 4.781 4.834 1.00 0.00 C ATOM 828 OH TYR A 130 1.936 5.429 5.008 1.00 0.00 O ATOM 0 H TYR A 130 9.530 2.193 3.979 1.00 0.00 H new ATOM 0 HA TYR A 130 7.470 3.826 2.591 1.00 0.00 H new ATOM 0 HB2 TYR A 130 6.653 1.746 3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 130 7.267 2.463 5.291 1.00 0.00 H new ATOM 0 HD1 TYR A 130 4.960 3.261 2.442 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.845 3.801 6.572 1.00 0.00 H new ATOM 0 HE1 TYR A 130 2.823 4.431 2.747 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.721 4.991 6.877 1.00 0.00 H new ATOM 0 HH TYR A 130 1.846 5.706 5.944 1.00 0.00 H new ATOM 838 N ILE A 131 8.667 5.745 3.646 1.00 0.00 N ATOM 839 CA ILE A 131 9.297 6.899 4.277 1.00 0.00 C ATOM 840 C ILE A 131 8.319 8.056 4.412 1.00 0.00 C ATOM 841 O ILE A 131 7.971 8.703 3.422 1.00 0.00 O ATOM 842 CB ILE A 131 10.541 7.374 3.486 1.00 0.00 C ATOM 843 CG1 ILE A 131 11.499 6.204 3.269 1.00 0.00 C ATOM 844 CG2 ILE A 131 11.244 8.516 4.220 1.00 0.00 C ATOM 845 CD1 ILE A 131 12.335 6.327 2.014 1.00 0.00 C ATOM 0 H ILE A 131 8.373 5.898 2.681 1.00 0.00 H new ATOM 0 HA ILE A 131 9.613 6.578 5.270 1.00 0.00 H new ATOM 0 HB ILE A 131 10.216 7.747 2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 131 12.162 6.124 4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.924 5.279 3.223 1.00 0.00 H new ATOM 0 HG21 ILE A 131 12.115 8.835 3.648 1.00 0.00 H new ATOM 0 HG22 ILE A 131 10.557 9.354 4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.562 8.174 5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 131 12.990 5.460 1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 131 11.680 6.375 1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 131 12.937 7.234 2.066 1.00 0.00 H new ATOM 857 N ASN A 132 7.851 8.280 5.641 1.00 0.00 N ATOM 858 CA ASN A 132 7.003 9.431 5.967 1.00 0.00 C ATOM 859 C ASN A 132 5.670 9.354 5.232 1.00 0.00 C ATOM 860 O ASN A 132 5.009 10.369 5.002 1.00 0.00 O ATOM 861 CB ASN A 132 7.721 10.743 5.631 1.00 0.00 C ATOM 862 CG ASN A 132 7.429 11.840 6.636 1.00 0.00 C ATOM 863 OD1 ASN A 132 8.206 12.077 7.560 1.00 0.00 O ATOM 864 ND2 ASN A 132 6.305 12.518 6.463 1.00 0.00 N ATOM 0 H ASN A 132 8.047 7.672 6.436 1.00 0.00 H new ATOM 0 HA ASN A 132 6.803 9.407 7.038 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.796 10.566 5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 132 7.418 11.075 4.638 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.057 13.268 7.109 1.00 0.00 H new ATOM 0 HD22 ASN A 132 5.687 12.291 5.684 1.00 0.00 H new ATOM 871 N GLY A 133 5.279 8.139 4.875 1.00 0.00 N ATOM 872 CA GLY A 133 4.036 7.944 4.158 1.00 0.00 C ATOM 873 C GLY A 133 4.226 7.933 2.655 1.00 0.00 C ATOM 874 O GLY A 133 3.337 8.348 1.912 1.00 0.00 O ATOM 0 H GLY A 133 5.801 7.284 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 133 3.585 7.002 4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 133 3.338 8.737 4.426 1.00 0.00 H new ATOM 878 N SER A 134 5.378 7.453 2.204 1.00 0.00 N ATOM 879 CA SER A 134 5.664 7.388 0.775 1.00 0.00 C ATOM 880 C SER A 134 6.252 6.029 0.422 1.00 0.00 C ATOM 881 O SER A 134 7.078 5.493 1.165 1.00 0.00 O ATOM 882 CB SER A 134 6.628 8.505 0.359 1.00 0.00 C ATOM 883 OG SER A 134 6.530 9.621 1.231 1.00 0.00 O ATOM 0 H SER A 134 6.127 7.104 2.803 1.00 0.00 H new ATOM 0 HA SER A 134 4.729 7.524 0.231 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.650 8.126 0.363 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.407 8.818 -0.662 1.00 0.00 H new ATOM 0 HG SER A 134 7.020 9.433 2.059 1.00 0.00 H new ATOM 889 N LEU A 135 5.826 5.473 -0.701 1.00 0.00 N ATOM 890 CA LEU A 135 6.260 4.141 -1.102 1.00 0.00 C ATOM 891 C LEU A 135 7.418 4.201 -2.088 1.00 0.00 C ATOM 892 O LEU A 135 7.351 4.896 -3.102 1.00 0.00 O ATOM 893 CB LEU A 135 5.100 3.359 -1.724 1.00 0.00 C ATOM 894 CG LEU A 135 3.847 3.244 -0.857 1.00 0.00 C ATOM 895 CD1 LEU A 135 2.656 2.827 -1.708 1.00 0.00 C ATOM 896 CD2 LEU A 135 4.070 2.254 0.275 1.00 0.00 C ATOM 0 H LEU A 135 5.181 5.921 -1.351 1.00 0.00 H new ATOM 0 HA LEU A 135 6.601 3.629 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.827 3.835 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.449 2.354 -1.964 1.00 0.00 H new ATOM 0 HG LEU A 135 3.636 4.219 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.769 2.748 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.485 3.572 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.860 1.861 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.167 2.185 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.304 1.274 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 135 4.899 2.592 0.896 1.00 0.00 H new ATOM 908 N PHE A 136 8.480 3.476 -1.768 1.00 0.00 N ATOM 909 CA PHE A 136 9.615 3.321 -2.664 1.00 0.00 C ATOM 910 C PHE A 136 10.027 1.857 -2.693 1.00 0.00 C ATOM 911 O PHE A 136 9.669 1.100 -1.786 1.00 0.00 O ATOM 912 CB PHE A 136 10.792 4.187 -2.203 1.00 0.00 C ATOM 913 CG PHE A 136 10.460 5.648 -2.080 1.00 0.00 C ATOM 914 CD1 PHE A 136 10.287 6.429 -3.211 1.00 0.00 C ATOM 915 CD2 PHE A 136 10.324 6.235 -0.835 1.00 0.00 C ATOM 916 CE1 PHE A 136 9.986 7.773 -3.102 1.00 0.00 C ATOM 917 CE2 PHE A 136 10.021 7.579 -0.718 1.00 0.00 C ATOM 918 CZ PHE A 136 9.853 8.349 -1.854 1.00 0.00 C ATOM 0 H PHE A 136 8.578 2.980 -0.882 1.00 0.00 H new ATOM 0 HA PHE A 136 9.327 3.645 -3.664 1.00 0.00 H new ATOM 0 HB2 PHE A 136 11.144 3.822 -1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 136 11.615 4.069 -2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 136 10.389 5.982 -4.189 1.00 0.00 H new ATOM 0 HD2 PHE A 136 10.456 5.637 0.055 1.00 0.00 H new ATOM 0 HE1 PHE A 136 9.855 8.372 -3.991 1.00 0.00 H new ATOM 0 HE2 PHE A 136 9.916 8.027 0.259 1.00 0.00 H new ATOM 0 HZ PHE A 136 9.618 9.399 -1.765 1.00 0.00 H new ATOM 928 N CYS A 137 10.765 1.447 -3.713 1.00 0.00 N ATOM 929 CA CYS A 137 11.203 0.063 -3.797 1.00 0.00 C ATOM 930 C CYS A 137 12.656 -0.061 -3.371 1.00 0.00 C ATOM 931 O CYS A 137 13.260 0.893 -2.877 1.00 0.00 O ATOM 932 CB CYS A 137 11.019 -0.495 -5.213 1.00 0.00 C ATOM 933 SG CYS A 137 12.110 0.247 -6.468 1.00 0.00 S ATOM 0 H CYS A 137 11.069 2.042 -4.483 1.00 0.00 H new ATOM 0 HA CYS A 137 10.583 -0.523 -3.119 1.00 0.00 H new ATOM 0 HB2 CYS A 137 11.192 -1.571 -5.191 1.00 0.00 H new ATOM 0 HB3 CYS A 137 9.983 -0.345 -5.517 1.00 0.00 H new ATOM 0 HG CYS A 137 12.043 1.543 -6.390 1.00 0.00 H new ATOM 938 N GLU A 138 13.206 -1.245 -3.570 1.00 0.00 N ATOM 939 CA GLU A 138 14.604 -1.502 -3.270 1.00 0.00 C ATOM 940 C GLU A 138 15.495 -0.916 -4.366 1.00 0.00 C ATOM 941 O GLU A 138 16.673 -0.642 -4.146 1.00 0.00 O ATOM 942 CB GLU A 138 14.843 -3.013 -3.147 1.00 0.00 C ATOM 943 CG GLU A 138 14.059 -3.838 -4.163 1.00 0.00 C ATOM 944 CD GLU A 138 14.353 -5.319 -4.070 1.00 0.00 C ATOM 945 OE1 GLU A 138 15.362 -5.770 -4.649 1.00 0.00 O ATOM 946 OE2 GLU A 138 13.577 -6.044 -3.418 1.00 0.00 O ATOM 0 H GLU A 138 12.702 -2.050 -3.941 1.00 0.00 H new ATOM 0 HA GLU A 138 14.856 -1.025 -2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 138 15.907 -3.216 -3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 138 14.571 -3.335 -2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 138 12.992 -3.674 -4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 138 14.295 -3.488 -5.168 1.00 0.00 H new ATOM 953 N HIS A 139 14.911 -0.704 -5.538 1.00 0.00 N ATOM 954 CA HIS A 139 15.655 -0.232 -6.697 1.00 0.00 C ATOM 955 C HIS A 139 15.826 1.285 -6.641 1.00 0.00 C ATOM 956 O HIS A 139 16.895 1.817 -6.949 1.00 0.00 O ATOM 957 CB HIS A 139 14.928 -0.660 -7.979 1.00 0.00 C ATOM 958 CG HIS A 139 15.455 -0.041 -9.239 1.00 0.00 C ATOM 959 ND1 HIS A 139 16.567 -0.537 -9.875 1.00 0.00 N ATOM 960 CD2 HIS A 139 14.976 1.015 -9.939 1.00 0.00 C ATOM 961 CE1 HIS A 139 16.735 0.220 -10.946 1.00 0.00 C ATOM 962 NE2 HIS A 139 15.795 1.172 -11.027 1.00 0.00 N ATOM 0 H HIS A 139 13.917 -0.853 -5.711 1.00 0.00 H new ATOM 0 HA HIS A 139 16.650 -0.677 -6.694 1.00 0.00 H new ATOM 0 HB2 HIS A 139 14.990 -1.744 -8.070 1.00 0.00 H new ATOM 0 HB3 HIS A 139 13.872 -0.409 -7.882 1.00 0.00 H new ATOM 0 HD2 HIS A 139 14.115 1.617 -9.688 1.00 0.00 H new ATOM 0 HE1 HIS A 139 17.530 0.088 -11.665 1.00 0.00 H new ATOM 0 HE2 HIS A 139 15.706 1.878 -11.758 1.00 0.00 H new ATOM 970 N ASP A 140 14.773 1.979 -6.234 1.00 0.00 N ATOM 971 CA ASP A 140 14.809 3.437 -6.183 1.00 0.00 C ATOM 972 C ASP A 140 14.982 3.936 -4.750 1.00 0.00 C ATOM 973 O ASP A 140 14.914 5.135 -4.490 1.00 0.00 O ATOM 974 CB ASP A 140 13.565 4.044 -6.864 1.00 0.00 C ATOM 975 CG ASP A 140 12.385 4.321 -5.944 1.00 0.00 C ATOM 976 OD1 ASP A 140 12.362 5.410 -5.324 1.00 0.00 O ATOM 977 OD2 ASP A 140 11.453 3.488 -5.879 1.00 0.00 O ATOM 0 H ASP A 140 13.890 1.563 -5.937 1.00 0.00 H new ATOM 0 HA ASP A 140 15.680 3.776 -6.744 1.00 0.00 H new ATOM 0 HB2 ASP A 140 13.855 4.978 -7.346 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.237 3.367 -7.653 1.00 0.00 H new ATOM 982 N ARG A 141 15.272 2.998 -3.848 1.00 0.00 N ATOM 983 CA ARG A 141 15.468 3.282 -2.421 1.00 0.00 C ATOM 984 C ARG A 141 16.330 4.530 -2.191 1.00 0.00 C ATOM 985 O ARG A 141 17.531 4.529 -2.467 1.00 0.00 O ATOM 986 CB ARG A 141 16.123 2.074 -1.749 1.00 0.00 C ATOM 987 CG ARG A 141 16.117 2.136 -0.233 1.00 0.00 C ATOM 988 CD ARG A 141 17.261 1.326 0.361 1.00 0.00 C ATOM 989 NE ARG A 141 18.452 2.149 0.577 1.00 0.00 N ATOM 990 CZ ARG A 141 19.592 1.704 1.097 1.00 0.00 C ATOM 991 NH1 ARG A 141 19.705 0.442 1.491 1.00 0.00 N ATOM 992 NH2 ARG A 141 20.625 2.524 1.220 1.00 0.00 N ATOM 0 H ARG A 141 15.379 2.012 -4.086 1.00 0.00 H new ATOM 0 HA ARG A 141 14.489 3.476 -1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 141 15.606 1.169 -2.068 1.00 0.00 H new ATOM 0 HB3 ARG A 141 17.153 1.992 -2.096 1.00 0.00 H new ATOM 0 HG2 ARG A 141 16.198 3.174 0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 141 15.167 1.758 0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 141 16.944 0.889 1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 141 17.506 0.499 -0.306 1.00 0.00 H new ATOM 0 HE ARG A 141 18.404 3.132 0.310 1.00 0.00 H new ATOM 0 HH11 ARG A 141 18.914 -0.195 1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 141 20.583 0.109 1.889 1.00 0.00 H new ATOM 0 HH21 ARG A 141 20.545 3.494 0.916 1.00 0.00 H new ATOM 0 HH22 ARG A 141 21.501 2.185 1.619 1.00 0.00 H new ATOM 1006 N PRO A 142 15.718 5.610 -1.679 1.00 0.00 N ATOM 1007 CA PRO A 142 16.402 6.873 -1.427 1.00 0.00 C ATOM 1008 C PRO A 142 17.221 6.838 -0.142 1.00 0.00 C ATOM 1009 O PRO A 142 16.672 6.853 0.957 1.00 0.00 O ATOM 1010 CB PRO A 142 15.261 7.897 -1.303 1.00 0.00 C ATOM 1011 CG PRO A 142 13.992 7.142 -1.561 1.00 0.00 C ATOM 1012 CD PRO A 142 14.302 5.694 -1.318 1.00 0.00 C ATOM 0 HA PRO A 142 17.113 7.109 -2.219 1.00 0.00 H new ATOM 0 HB2 PRO A 142 15.250 8.349 -0.311 1.00 0.00 H new ATOM 0 HB3 PRO A 142 15.385 8.707 -2.022 1.00 0.00 H new ATOM 0 HG2 PRO A 142 13.195 7.485 -0.900 1.00 0.00 H new ATOM 0 HG3 PRO A 142 13.648 7.299 -2.583 1.00 0.00 H new ATOM 0 HD2 PRO A 142 14.130 5.411 -0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 142 13.686 5.038 -1.933 1.00 0.00 H new ATOM 1020 N THR A 143 18.533 6.783 -0.288 1.00 0.00 N ATOM 1021 CA THR A 143 19.427 6.757 0.855 1.00 0.00 C ATOM 1022 C THR A 143 19.617 8.166 1.444 1.00 0.00 C ATOM 1023 O THR A 143 19.993 8.315 2.605 1.00 0.00 O ATOM 1024 CB THR A 143 20.789 6.149 0.459 1.00 0.00 C ATOM 1025 OG1 THR A 143 20.577 4.925 -0.261 1.00 0.00 O ATOM 1026 CG2 THR A 143 21.649 5.872 1.679 1.00 0.00 C ATOM 0 H THR A 143 19.004 6.755 -1.192 1.00 0.00 H new ATOM 0 HA THR A 143 18.974 6.130 1.623 1.00 0.00 H new ATOM 0 HB THR A 143 21.311 6.870 -0.170 1.00 0.00 H new ATOM 0 HG1 THR A 143 21.442 4.540 -0.514 1.00 0.00 H new ATOM 0 HG21 THR A 143 22.601 5.444 1.364 1.00 0.00 H new ATOM 0 HG22 THR A 143 21.830 6.803 2.216 1.00 0.00 H new ATOM 0 HG23 THR A 143 21.135 5.169 2.335 1.00 0.00 H new ATOM 1034 N ALA A 144 19.331 9.193 0.643 1.00 0.00 N ATOM 1035 CA ALA A 144 19.455 10.577 1.098 1.00 0.00 C ATOM 1036 C ALA A 144 18.455 10.863 2.216 1.00 0.00 C ATOM 1037 O ALA A 144 18.833 11.249 3.321 1.00 0.00 O ATOM 1038 CB ALA A 144 19.244 11.539 -0.063 1.00 0.00 C ATOM 0 H ALA A 144 19.013 9.093 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 144 20.462 10.723 1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 144 19.340 12.565 0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 144 19.993 11.350 -0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 144 18.248 11.391 -0.482 1.00 0.00 H new ATOM 1044 N LEU A 145 17.180 10.653 1.919 1.00 0.00 N ATOM 1045 CA LEU A 145 16.125 10.811 2.911 1.00 0.00 C ATOM 1046 C LEU A 145 15.448 9.470 3.161 1.00 0.00 C ATOM 1047 O LEU A 145 14.390 9.176 2.607 1.00 0.00 O ATOM 1048 CB LEU A 145 15.100 11.849 2.450 1.00 0.00 C ATOM 1049 CG LEU A 145 15.113 13.170 3.228 1.00 0.00 C ATOM 1050 CD1 LEU A 145 16.354 13.986 2.893 1.00 0.00 C ATOM 1051 CD2 LEU A 145 13.857 13.973 2.933 1.00 0.00 C ATOM 0 H LEU A 145 16.850 10.372 0.996 1.00 0.00 H new ATOM 0 HA LEU A 145 16.569 11.164 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 145 15.274 12.065 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 145 14.105 11.411 2.525 1.00 0.00 H new ATOM 0 HG LEU A 145 15.136 12.936 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 145 16.340 14.918 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 145 17.246 13.417 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 145 16.366 14.208 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 145 13.883 14.908 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 145 13.807 14.191 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 145 12.980 13.397 3.228 1.00 0.00 H new ATOM 1063 N ILE A 146 16.072 8.661 4.000 1.00 0.00 N ATOM 1064 CA ILE A 146 15.608 7.305 4.249 1.00 0.00 C ATOM 1065 C ILE A 146 15.051 7.160 5.665 1.00 0.00 C ATOM 1066 O ILE A 146 15.535 7.794 6.604 1.00 0.00 O ATOM 1067 CB ILE A 146 16.751 6.284 4.018 1.00 0.00 C ATOM 1068 CG1 ILE A 146 16.232 4.849 4.122 1.00 0.00 C ATOM 1069 CG2 ILE A 146 17.897 6.514 4.994 1.00 0.00 C ATOM 1070 CD1 ILE A 146 16.715 3.961 2.999 1.00 0.00 C ATOM 0 H ILE A 146 16.907 8.921 4.524 1.00 0.00 H new ATOM 0 HA ILE A 146 14.803 7.097 3.544 1.00 0.00 H new ATOM 0 HB ILE A 146 17.133 6.435 3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 146 16.547 4.423 5.075 1.00 0.00 H new ATOM 0 HG13 ILE A 146 15.142 4.862 4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 146 18.685 5.784 4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 146 18.295 7.519 4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 146 17.533 6.404 6.015 1.00 0.00 H new ATOM 0 HD11 ILE A 146 16.312 2.957 3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 146 16.378 4.365 2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 146 17.804 3.919 3.011 1.00 0.00 H new ATOM 1146 N GLY A 207 16.283 -2.620 3.611 1.00 0.00 N ATOM 1147 CA GLY A 207 15.246 -2.800 2.617 1.00 0.00 C ATOM 1148 C GLY A 207 14.204 -3.766 3.124 1.00 0.00 C ATOM 1149 O GLY A 207 14.275 -4.962 2.851 1.00 0.00 O ATOM 0 HA2 GLY A 207 14.782 -1.841 2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 207 15.681 -3.175 1.690 1.00 0.00 H new ATOM 1153 N SER A 208 13.258 -3.249 3.887 1.00 0.00 N ATOM 1154 CA SER A 208 12.274 -4.075 4.560 1.00 0.00 C ATOM 1155 C SER A 208 11.397 -4.841 3.575 1.00 0.00 C ATOM 1156 O SER A 208 10.932 -4.291 2.581 1.00 0.00 O ATOM 1157 CB SER A 208 11.412 -3.189 5.448 1.00 0.00 C ATOM 1158 OG SER A 208 12.044 -1.936 5.668 1.00 0.00 O ATOM 0 H SER A 208 13.151 -2.249 4.057 1.00 0.00 H new ATOM 0 HA SER A 208 12.802 -4.816 5.160 1.00 0.00 H new ATOM 0 HB2 SER A 208 10.439 -3.035 4.982 1.00 0.00 H new ATOM 0 HB3 SER A 208 11.233 -3.685 6.402 1.00 0.00 H new ATOM 0 HG SER A 208 11.747 -1.296 4.988 1.00 0.00 H new ATOM 1164 N ILE A 404 11.194 -6.116 3.855 1.00 0.00 N ATOM 1165 CA ILE A 404 10.286 -6.938 3.069 1.00 0.00 C ATOM 1166 C ILE A 404 8.855 -6.451 3.265 1.00 0.00 C ATOM 1167 O ILE A 404 8.461 -6.125 4.387 1.00 0.00 O ATOM 1168 CB ILE A 404 10.390 -8.423 3.490 1.00 0.00 C ATOM 1169 CG1 ILE A 404 11.832 -8.923 3.344 1.00 0.00 C ATOM 1170 CG2 ILE A 404 9.434 -9.295 2.687 1.00 0.00 C ATOM 1171 CD1 ILE A 404 12.341 -8.931 1.916 1.00 0.00 C ATOM 0 H ILE A 404 11.647 -6.608 4.625 1.00 0.00 H new ATOM 0 HA ILE A 404 10.563 -6.854 2.018 1.00 0.00 H new ATOM 0 HB ILE A 404 10.102 -8.495 4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 404 12.486 -8.295 3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 404 11.898 -9.933 3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 404 9.532 -10.332 3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 404 8.410 -8.959 2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 404 9.675 -9.218 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 404 13.367 -9.297 1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 404 11.712 -9.583 1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 404 12.310 -7.919 1.513 1.00 0.00 H new ATOM 1183 N ALA A 405 8.099 -6.367 2.173 1.00 0.00 N ATOM 1184 CA ALA A 405 6.694 -5.984 2.246 1.00 0.00 C ATOM 1185 C ALA A 405 5.966 -6.875 3.250 1.00 0.00 C ATOM 1186 O ALA A 405 6.006 -8.097 3.123 1.00 0.00 O ATOM 1187 CB ALA A 405 6.043 -6.082 0.873 1.00 0.00 C ATOM 0 H ALA A 405 8.436 -6.559 1.230 1.00 0.00 H new ATOM 0 HA ALA A 405 6.627 -4.949 2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 405 4.995 -5.793 0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 405 6.556 -5.416 0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 405 6.112 -7.107 0.510 1.00 0.00 H new ATOM 1193 N PRO A 406 5.295 -6.262 4.251 1.00 0.00 N ATOM 1194 CA PRO A 406 4.679 -6.982 5.380 1.00 0.00 C ATOM 1195 C PRO A 406 3.874 -8.202 4.945 1.00 0.00 C ATOM 1196 O PRO A 406 4.390 -9.315 4.991 1.00 0.00 O ATOM 1197 CB PRO A 406 3.788 -5.918 6.032 1.00 0.00 C ATOM 1198 CG PRO A 406 4.459 -4.629 5.712 1.00 0.00 C ATOM 1199 CD PRO A 406 5.073 -4.807 4.349 1.00 0.00 C ATOM 0 HA PRO A 406 5.426 -7.396 6.057 1.00 0.00 H new ATOM 0 HB2 PRO A 406 2.774 -5.949 5.632 1.00 0.00 H new ATOM 0 HB3 PRO A 406 3.711 -6.069 7.109 1.00 0.00 H new ATOM 0 HG2 PRO A 406 3.744 -3.806 5.713 1.00 0.00 H new ATOM 0 HG3 PRO A 406 5.220 -4.391 6.455 1.00 0.00 H new ATOM 0 HD2 PRO A 406 4.410 -4.450 3.561 1.00 0.00 H new ATOM 0 HD3 PRO A 406 6.007 -4.253 4.255 1.00 0.00 H new ATOM 1207 N PHE A 407 2.630 -7.981 4.532 1.00 0.00 N ATOM 1208 CA PHE A 407 1.750 -9.034 4.024 1.00 0.00 C ATOM 1209 C PHE A 407 0.339 -8.482 3.884 1.00 0.00 C ATOM 1210 O PHE A 407 -0.037 -7.545 4.592 1.00 0.00 O ATOM 1211 CB PHE A 407 1.730 -10.267 4.951 1.00 0.00 C ATOM 1212 CG PHE A 407 2.153 -11.549 4.284 1.00 0.00 C ATOM 1213 CD1 PHE A 407 3.493 -11.877 4.177 1.00 0.00 C ATOM 1214 CD2 PHE A 407 1.210 -12.426 3.776 1.00 0.00 C ATOM 1215 CE1 PHE A 407 3.887 -13.055 3.575 1.00 0.00 C ATOM 1216 CE2 PHE A 407 1.598 -13.606 3.170 1.00 0.00 C ATOM 1217 CZ PHE A 407 2.938 -13.921 3.070 1.00 0.00 C ATOM 0 H PHE A 407 2.198 -7.057 4.540 1.00 0.00 H new ATOM 0 HA PHE A 407 2.134 -9.354 3.055 1.00 0.00 H new ATOM 0 HB2 PHE A 407 2.386 -10.079 5.801 1.00 0.00 H new ATOM 0 HB3 PHE A 407 0.723 -10.393 5.348 1.00 0.00 H new ATOM 0 HD1 PHE A 407 4.240 -11.203 4.569 1.00 0.00 H new ATOM 0 HD2 PHE A 407 0.160 -12.186 3.854 1.00 0.00 H new ATOM 0 HE1 PHE A 407 4.936 -13.299 3.499 1.00 0.00 H new ATOM 0 HE2 PHE A 407 0.853 -14.281 2.775 1.00 0.00 H new ATOM 0 HZ PHE A 407 3.243 -14.843 2.598 1.00 0.00 H new ATOM 1227 N PRO A 408 -0.440 -9.012 2.935 1.00 0.00 N ATOM 1228 CA PRO A 408 -1.844 -8.646 2.780 1.00 0.00 C ATOM 1229 C PRO A 408 -2.770 -9.469 3.681 1.00 0.00 C ATOM 1230 O PRO A 408 -2.703 -10.699 3.707 1.00 0.00 O ATOM 1231 CB PRO A 408 -2.109 -8.956 1.310 1.00 0.00 C ATOM 1232 CG PRO A 408 -1.206 -10.106 0.996 1.00 0.00 C ATOM 1233 CD PRO A 408 -0.006 -9.973 1.901 1.00 0.00 C ATOM 0 HA PRO A 408 -2.036 -7.611 3.061 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -3.154 -9.216 1.142 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -1.889 -8.096 0.678 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -1.715 -11.055 1.165 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -0.905 -10.087 -0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 408 0.271 -10.932 2.339 1.00 0.00 H new ATOM 0 HD3 PRO A 408 0.865 -9.607 1.357 1.00 0.00 H new ATOM 1241 N GLU A 409 -3.635 -8.786 4.415 1.00 0.00 N ATOM 1242 CA GLU A 409 -4.609 -9.451 5.271 1.00 0.00 C ATOM 1243 C GLU A 409 -5.949 -8.731 5.185 1.00 0.00 C ATOM 1244 O GLU A 409 -6.020 -7.605 4.694 1.00 0.00 O ATOM 1245 CB GLU A 409 -4.122 -9.497 6.723 1.00 0.00 C ATOM 1246 CG GLU A 409 -4.653 -10.696 7.493 1.00 0.00 C ATOM 1247 CD GLU A 409 -3.783 -11.072 8.676 1.00 0.00 C ATOM 1248 OE1 GLU A 409 -2.571 -11.308 8.482 1.00 0.00 O ATOM 1249 OE2 GLU A 409 -4.312 -11.151 9.807 1.00 0.00 O ATOM 0 H GLU A 409 -3.683 -7.767 4.436 1.00 0.00 H new ATOM 0 HA GLU A 409 -4.731 -10.477 4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -3.032 -9.520 6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -4.427 -8.582 7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -5.661 -10.477 7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -4.729 -11.549 6.819 1.00 0.00 H new ATOM 1256 N ALA A 410 -7.012 -9.388 5.638 1.00 0.00 N ATOM 1257 CA ALA A 410 -8.342 -8.792 5.624 1.00 0.00 C ATOM 1258 C ALA A 410 -8.468 -7.744 6.726 1.00 0.00 C ATOM 1259 O ALA A 410 -8.467 -8.076 7.912 1.00 0.00 O ATOM 1260 CB ALA A 410 -9.407 -9.868 5.777 1.00 0.00 C ATOM 0 H ALA A 410 -6.978 -10.333 6.019 1.00 0.00 H new ATOM 0 HA ALA A 410 -8.492 -8.297 4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 410 -10.395 -9.407 5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -9.328 -10.578 4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 410 -9.263 -10.391 6.722 1.00 0.00 H new ATOM 1266 N ALA A 411 -8.558 -6.482 6.326 1.00 0.00 N ATOM 1267 CA ALA A 411 -8.607 -5.386 7.278 1.00 0.00 C ATOM 1268 C ALA A 411 -10.025 -5.139 7.792 1.00 0.00 C ATOM 1269 O ALA A 411 -10.447 -5.732 8.784 1.00 0.00 O ATOM 1270 CB ALA A 411 -8.042 -4.122 6.651 1.00 0.00 C ATOM 0 H ALA A 411 -8.598 -6.195 5.348 1.00 0.00 H new ATOM 0 HA ALA A 411 -7.995 -5.666 8.135 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -8.084 -3.307 7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -7.007 -4.293 6.357 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -8.630 -3.858 5.772 1.00 0.00 H new ATOM 1276 N LEU A 412 -10.760 -4.268 7.113 1.00 0.00 N ATOM 1277 CA LEU A 412 -12.091 -3.887 7.554 1.00 0.00 C ATOM 1278 C LEU A 412 -13.081 -3.972 6.401 1.00 0.00 C ATOM 1279 O LEU A 412 -12.805 -3.483 5.306 1.00 0.00 O ATOM 1280 CB LEU A 412 -12.074 -2.464 8.122 1.00 0.00 C ATOM 1281 CG LEU A 412 -13.091 -2.192 9.229 1.00 0.00 C ATOM 1282 CD1 LEU A 412 -12.448 -2.350 10.597 1.00 0.00 C ATOM 1283 CD2 LEU A 412 -13.681 -0.801 9.069 1.00 0.00 C ATOM 0 H LEU A 412 -10.454 -3.812 6.253 1.00 0.00 H new ATOM 0 HA LEU A 412 -12.404 -4.579 8.336 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -11.076 -2.256 8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -12.252 -1.763 7.307 1.00 0.00 H new ATOM 0 HG LEU A 412 -13.897 -2.921 9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -13.188 -2.152 11.372 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -12.071 -3.367 10.707 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -11.623 -1.644 10.695 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -14.404 -0.619 9.864 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -12.884 -0.059 9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -14.178 -0.726 8.102 1.00 0.00 H new ATOM 1295 N PRO A 413 -14.231 -4.632 6.621 1.00 0.00 N ATOM 1296 CA PRO A 413 -15.327 -4.669 5.645 1.00 0.00 C ATOM 1297 C PRO A 413 -15.879 -3.275 5.379 1.00 0.00 C ATOM 1298 O PRO A 413 -16.162 -2.522 6.311 1.00 0.00 O ATOM 1299 CB PRO A 413 -16.383 -5.552 6.325 1.00 0.00 C ATOM 1300 CG PRO A 413 -15.613 -6.342 7.324 1.00 0.00 C ATOM 1301 CD PRO A 413 -14.553 -5.413 7.824 1.00 0.00 C ATOM 0 HA PRO A 413 -15.011 -5.050 4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 413 -17.156 -4.951 6.804 1.00 0.00 H new ATOM 0 HB3 PRO A 413 -16.883 -6.200 5.605 1.00 0.00 H new ATOM 0 HG2 PRO A 413 -16.255 -6.682 8.137 1.00 0.00 H new ATOM 0 HG3 PRO A 413 -15.175 -7.231 6.870 1.00 0.00 H new ATOM 0 HD2 PRO A 413 -14.915 -4.781 8.635 1.00 0.00 H new ATOM 0 HD3 PRO A 413 -13.685 -5.952 8.204 1.00 0.00 H new ATOM 1309 N THR A 414 -16.026 -2.942 4.106 1.00 0.00 N ATOM 1310 CA THR A 414 -16.385 -1.595 3.708 1.00 0.00 C ATOM 1311 C THR A 414 -17.805 -1.526 3.150 1.00 0.00 C ATOM 1312 O THR A 414 -18.428 -2.558 2.882 1.00 0.00 O ATOM 1313 CB THR A 414 -15.403 -1.083 2.637 1.00 0.00 C ATOM 1314 OG1 THR A 414 -15.403 -1.970 1.512 1.00 0.00 O ATOM 1315 CG2 THR A 414 -13.995 -0.983 3.194 1.00 0.00 C ATOM 0 H THR A 414 -15.901 -3.591 3.330 1.00 0.00 H new ATOM 0 HA THR A 414 -16.334 -0.970 4.599 1.00 0.00 H new ATOM 0 HB THR A 414 -15.729 -0.090 2.327 1.00 0.00 H new ATOM 0 HG1 THR A 414 -14.773 -2.703 1.674 1.00 0.00 H new ATOM 0 HG21 THR A 414 -13.322 -0.619 2.418 1.00 0.00 H new ATOM 0 HG22 THR A 414 -13.985 -0.291 4.036 1.00 0.00 H new ATOM 0 HG23 THR A 414 -13.665 -1.967 3.529 1.00 0.00 H new ATOM 1323 N SER A 415 -18.294 -0.298 2.970 1.00 0.00 N ATOM 1324 CA SER A 415 -19.612 -0.037 2.389 1.00 0.00 C ATOM 1325 C SER A 415 -20.728 -0.751 3.161 1.00 0.00 C ATOM 1326 O SER A 415 -20.867 -0.569 4.372 1.00 0.00 O ATOM 1327 CB SER A 415 -19.633 -0.439 0.909 1.00 0.00 C ATOM 1328 OG SER A 415 -18.328 -0.422 0.355 1.00 0.00 O ATOM 0 H SER A 415 -17.784 0.548 3.225 1.00 0.00 H new ATOM 0 HA SER A 415 -19.800 1.034 2.465 1.00 0.00 H new ATOM 0 HB2 SER A 415 -20.062 -1.436 0.806 1.00 0.00 H new ATOM 0 HB3 SER A 415 -20.276 0.243 0.353 1.00 0.00 H new ATOM 0 HG SER A 415 -18.370 -0.684 -0.588 1.00 0.00 H new