USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=22 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 115 CYS SG : rot 145:sc= 0.657 USER MOD Set 1.2: A 117 THR OG1 : rot 154:sc= 0.657 USER MOD Set 1.3: A 118 CYS SG : rot -54:sc= -0.0701 USER MOD Set 1.4: A 137 CYS SG : rot -133:sc= -3.35! USER MOD Set 2.1: A 108 TYR OH : rot 30:sc= 0.909 USER MOD Set 2.2: A 130 TYR OH : rot 11:sc= 1.07 USER MOD Set 3.1: A 87 CYS SG : rot -172:sc= 1.79 USER MOD Set 3.2: A 90 CYS SG : rot 129:sc= 1.75 USER MOD Set 3.3: A 109 HIS : no HD1:sc= -2.1! K(o=-4.6!,f=-5.4) USER MOD Set 3.4: A 111 LYS NZ :NH3+ -162:sc= 0.752 (180deg=0) USER MOD Set 3.5: A 112 CYS SG : rot -158:sc= -6.82! USER MOD Single : A 83 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.4) USER MOD Single : A 84 SER OG : rot -152:sc= 0.143 USER MOD Single : A 88 SER OG : rot 88:sc= 0.518 USER MOD Single : A 92 GLN : amide:sc= -0.597 X(o=-0.6,f=-1) USER MOD Single : A 93 SER OG : rot 110:sc= 0.845 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 101 MET CE :methyl 155:sc= -0.207 (180deg=-1.8) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= -0.241 K(o=-0.24,f=-2.5!) USER MOD Single : A 114 THR OG1 : rot -89:sc= 0.806 USER MOD Single : A 116 SER OG : rot 88:sc= 1.25 USER MOD Single : A 120 ASN : amide:sc= -0.262 X(o=-0.26,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-4.5!) USER MOD Single : A 132 ASN : amide:sc= -0.177 K(o=-0.18,f=-2.1!) USER MOD Single : A 134 SER OG : rot 90:sc= 0.703 USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 THR OG1 : rot 132:sc= -0.423 USER MOD Single : A 208 SER OG : rot -8:sc= 1.06 USER MOD Single : A 414 THR OG1 : rot 40:sc= 0.0168 USER MOD Single : A 415 SER OG : rot 9:sc= 0.605 USER MOD ----------------------------------------------------------------- ATOM 61 N ARG A 79 -15.973 8.091 -1.795 1.00 0.00 N ATOM 62 CA ARG A 79 -15.187 7.487 -2.874 1.00 0.00 C ATOM 63 C ARG A 79 -15.455 5.987 -2.960 1.00 0.00 C ATOM 64 O ARG A 79 -15.337 5.380 -4.026 1.00 0.00 O ATOM 65 CB ARG A 79 -13.683 7.730 -2.663 1.00 0.00 C ATOM 66 CG ARG A 79 -12.821 7.336 -3.857 1.00 0.00 C ATOM 67 CD ARG A 79 -11.764 8.386 -4.163 1.00 0.00 C ATOM 68 NE ARG A 79 -10.403 7.841 -4.076 1.00 0.00 N ATOM 69 CZ ARG A 79 -9.418 8.411 -3.378 1.00 0.00 C ATOM 70 NH1 ARG A 79 -9.619 9.583 -2.785 1.00 0.00 N ATOM 71 NH2 ARG A 79 -8.228 7.823 -3.301 1.00 0.00 N ATOM 0 HA ARG A 79 -15.491 7.959 -3.808 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.523 8.786 -2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.353 7.169 -1.788 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.336 6.381 -3.656 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.455 7.193 -4.732 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.930 8.787 -5.163 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.867 9.217 -3.465 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.198 6.977 -4.578 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.525 10.046 -2.863 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.868 10.020 -2.251 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.066 6.935 -3.776 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.477 8.260 -2.767 1.00 0.00 H new ATOM 85 N LEU A 80 -15.838 5.402 -1.840 1.00 0.00 N ATOM 86 CA LEU A 80 -16.007 3.963 -1.748 1.00 0.00 C ATOM 87 C LEU A 80 -17.485 3.589 -1.664 1.00 0.00 C ATOM 88 O LEU A 80 -18.367 4.455 -1.703 1.00 0.00 O ATOM 89 CB LEU A 80 -15.254 3.432 -0.524 1.00 0.00 C ATOM 90 CG LEU A 80 -15.958 3.637 0.821 1.00 0.00 C ATOM 91 CD1 LEU A 80 -15.938 2.350 1.631 1.00 0.00 C ATOM 92 CD2 LEU A 80 -15.301 4.765 1.605 1.00 0.00 C ATOM 0 H LEU A 80 -16.039 5.905 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 80 -15.597 3.507 -2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -15.076 2.366 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -14.278 3.915 -0.481 1.00 0.00 H new ATOM 0 HG LEU A 80 -16.995 3.911 0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -16.442 2.512 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -16.452 1.564 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -14.906 2.051 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.816 4.894 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.255 4.519 1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.361 5.690 1.031 1.00 0.00 H new ATOM 104 N PHE A 81 -17.750 2.295 -1.555 1.00 0.00 N ATOM 105 CA PHE A 81 -19.104 1.796 -1.367 1.00 0.00 C ATOM 106 C PHE A 81 -19.501 1.923 0.103 1.00 0.00 C ATOM 107 O PHE A 81 -19.406 0.964 0.873 1.00 0.00 O ATOM 108 CB PHE A 81 -19.200 0.335 -1.825 1.00 0.00 C ATOM 109 CG PHE A 81 -19.435 0.175 -3.302 1.00 0.00 C ATOM 110 CD1 PHE A 81 -18.487 0.607 -4.216 1.00 0.00 C ATOM 111 CD2 PHE A 81 -20.597 -0.411 -3.777 1.00 0.00 C ATOM 112 CE1 PHE A 81 -18.695 0.464 -5.572 1.00 0.00 C ATOM 113 CE2 PHE A 81 -20.811 -0.556 -5.134 1.00 0.00 C ATOM 114 CZ PHE A 81 -19.858 -0.120 -6.032 1.00 0.00 C ATOM 0 H PHE A 81 -17.038 1.566 -1.594 1.00 0.00 H new ATOM 0 HA PHE A 81 -19.790 2.390 -1.970 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -18.279 -0.182 -1.555 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -20.010 -0.153 -1.283 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -17.574 1.062 -3.862 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -21.344 -0.758 -3.079 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -17.949 0.808 -6.273 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -21.723 -1.010 -5.492 1.00 0.00 H new ATOM 0 HZ PHE A 81 -20.022 -0.236 -7.093 1.00 0.00 H new ATOM 124 N GLY A 82 -19.923 3.114 0.492 1.00 0.00 N ATOM 125 CA GLY A 82 -20.266 3.362 1.874 1.00 0.00 C ATOM 126 C GLY A 82 -19.316 4.358 2.507 1.00 0.00 C ATOM 127 O GLY A 82 -19.001 5.380 1.903 1.00 0.00 O ATOM 0 H GLY A 82 -20.034 3.917 -0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -21.286 3.740 1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -20.239 2.426 2.431 1.00 0.00 H new ATOM 131 N ASN A 83 -18.850 4.060 3.714 1.00 0.00 N ATOM 132 CA ASN A 83 -17.912 4.938 4.410 1.00 0.00 C ATOM 133 C ASN A 83 -17.032 4.140 5.371 1.00 0.00 C ATOM 134 O ASN A 83 -16.669 4.617 6.447 1.00 0.00 O ATOM 135 CB ASN A 83 -18.657 6.061 5.159 1.00 0.00 C ATOM 136 CG ASN A 83 -19.533 5.566 6.305 1.00 0.00 C ATOM 137 OD1 ASN A 83 -19.710 4.362 6.514 1.00 0.00 O ATOM 138 ND2 ASN A 83 -20.094 6.501 7.054 1.00 0.00 N ATOM 0 H ASN A 83 -19.105 3.219 4.232 1.00 0.00 H new ATOM 0 HA ASN A 83 -17.268 5.401 3.662 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -17.927 6.768 5.553 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -19.279 6.607 4.449 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -20.696 6.237 7.834 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -19.925 7.486 6.851 1.00 0.00 H new ATOM 145 N SER A 84 -16.689 2.924 4.974 1.00 0.00 N ATOM 146 CA SER A 84 -15.861 2.059 5.800 1.00 0.00 C ATOM 147 C SER A 84 -14.440 1.951 5.233 1.00 0.00 C ATOM 148 O SER A 84 -13.707 2.938 5.203 1.00 0.00 O ATOM 149 CB SER A 84 -16.515 0.682 5.909 1.00 0.00 C ATOM 150 OG SER A 84 -17.834 0.710 5.387 1.00 0.00 O ATOM 0 H SER A 84 -16.972 2.514 4.084 1.00 0.00 H new ATOM 0 HA SER A 84 -15.780 2.493 6.797 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.920 -0.053 5.367 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.538 0.367 6.952 1.00 0.00 H new ATOM 0 HG SER A 84 -18.377 0.028 5.834 1.00 0.00 H new ATOM 156 N GLY A 85 -14.062 0.761 4.773 1.00 0.00 N ATOM 157 CA GLY A 85 -12.715 0.551 4.284 1.00 0.00 C ATOM 158 C GLY A 85 -12.567 0.877 2.810 1.00 0.00 C ATOM 159 O GLY A 85 -13.296 0.339 1.976 1.00 0.00 O ATOM 0 H GLY A 85 -14.666 -0.060 4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.024 1.168 4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.430 -0.488 4.452 1.00 0.00 H new ATOM 163 N ALA A 86 -11.626 1.759 2.497 1.00 0.00 N ATOM 164 CA ALA A 86 -11.337 2.134 1.117 1.00 0.00 C ATOM 165 C ALA A 86 -9.836 2.278 0.914 1.00 0.00 C ATOM 166 O ALA A 86 -9.084 2.433 1.878 1.00 0.00 O ATOM 167 CB ALA A 86 -12.037 3.434 0.751 1.00 0.00 C ATOM 0 H ALA A 86 -11.044 2.233 3.188 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.711 1.345 0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.806 3.693 -0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -13.114 3.311 0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.693 4.231 1.410 1.00 0.00 H new ATOM 173 N CYS A 87 -9.410 2.218 -0.337 1.00 0.00 N ATOM 174 CA CYS A 87 -8.005 2.346 -0.676 1.00 0.00 C ATOM 175 C CYS A 87 -7.562 3.798 -0.651 1.00 0.00 C ATOM 176 O CYS A 87 -8.314 4.706 -1.012 1.00 0.00 O ATOM 177 CB CYS A 87 -7.743 1.760 -2.058 1.00 0.00 C ATOM 178 SG CYS A 87 -5.984 1.666 -2.529 1.00 0.00 S ATOM 0 H CYS A 87 -10.024 2.080 -1.140 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.432 1.796 0.070 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.169 0.758 -2.099 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.271 2.361 -2.798 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.887 1.304 -3.774 1.00 0.00 H new ATOM 183 N SER A 88 -6.330 4.000 -0.236 1.00 0.00 N ATOM 184 CA SER A 88 -5.744 5.320 -0.212 1.00 0.00 C ATOM 185 C SER A 88 -5.115 5.635 -1.567 1.00 0.00 C ATOM 186 O SER A 88 -4.751 6.778 -1.839 1.00 0.00 O ATOM 187 CB SER A 88 -4.697 5.410 0.895 1.00 0.00 C ATOM 188 OG SER A 88 -4.961 4.470 1.925 1.00 0.00 O ATOM 0 H SER A 88 -5.711 3.259 0.092 1.00 0.00 H new ATOM 0 HA SER A 88 -6.526 6.052 -0.010 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.706 5.229 0.478 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.689 6.417 1.311 1.00 0.00 H new ATOM 0 HG SER A 88 -4.536 3.615 1.704 1.00 0.00 H new ATOM 194 N ALA A 89 -4.997 4.613 -2.411 1.00 0.00 N ATOM 195 CA ALA A 89 -4.411 4.779 -3.735 1.00 0.00 C ATOM 196 C ALA A 89 -5.482 4.701 -4.819 1.00 0.00 C ATOM 197 O ALA A 89 -5.567 5.575 -5.686 1.00 0.00 O ATOM 198 CB ALA A 89 -3.324 3.739 -3.976 1.00 0.00 C ATOM 0 H ALA A 89 -5.300 3.662 -2.200 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.955 5.768 -3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.899 3.880 -4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.540 3.852 -3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.754 2.740 -3.904 1.00 0.00 H new ATOM 204 N CYS A 90 -6.303 3.657 -4.765 1.00 0.00 N ATOM 205 CA CYS A 90 -7.406 3.513 -5.706 1.00 0.00 C ATOM 206 C CYS A 90 -8.595 4.337 -5.234 1.00 0.00 C ATOM 207 O CYS A 90 -9.109 5.192 -5.953 1.00 0.00 O ATOM 208 CB CYS A 90 -7.832 2.044 -5.844 1.00 0.00 C ATOM 209 SG CYS A 90 -6.469 0.872 -6.145 1.00 0.00 S ATOM 0 H CYS A 90 -6.226 2.902 -4.083 1.00 0.00 H new ATOM 0 HA CYS A 90 -7.067 3.868 -6.679 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -8.354 1.746 -4.935 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -8.547 1.964 -6.663 1.00 0.00 H new ATOM 0 HG CYS A 90 -6.541 -0.105 -5.291 1.00 0.00 H new ATOM 214 N GLY A 91 -9.003 4.090 -4.000 1.00 0.00 N ATOM 215 CA GLY A 91 -10.200 4.706 -3.478 1.00 0.00 C ATOM 216 C GLY A 91 -11.354 3.735 -3.473 1.00 0.00 C ATOM 217 O GLY A 91 -12.406 4.005 -2.899 1.00 0.00 O ATOM 0 H GLY A 91 -8.522 3.470 -3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.017 5.062 -2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.457 5.577 -4.081 1.00 0.00 H new ATOM 221 N GLN A 92 -11.147 2.600 -4.124 1.00 0.00 N ATOM 222 CA GLN A 92 -12.139 1.541 -4.149 1.00 0.00 C ATOM 223 C GLN A 92 -12.263 0.916 -2.769 1.00 0.00 C ATOM 224 O GLN A 92 -11.282 0.833 -2.026 1.00 0.00 O ATOM 225 CB GLN A 92 -11.760 0.472 -5.177 1.00 0.00 C ATOM 226 CG GLN A 92 -12.742 0.357 -6.334 1.00 0.00 C ATOM 227 CD GLN A 92 -14.189 0.283 -5.879 1.00 0.00 C ATOM 228 OE1 GLN A 92 -14.872 1.303 -5.785 1.00 0.00 O ATOM 229 NE2 GLN A 92 -14.667 -0.917 -5.588 1.00 0.00 N ATOM 0 H GLN A 92 -10.295 2.390 -4.644 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.099 1.970 -4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.770 0.698 -5.574 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.690 -0.493 -4.675 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.618 1.215 -6.995 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.505 -0.532 -6.918 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.070 -1.739 -5.678 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.632 -1.019 -5.274 1.00 0.00 H new ATOM 238 N SER A 93 -13.466 0.492 -2.430 1.00 0.00 N ATOM 239 CA SER A 93 -13.723 -0.115 -1.140 1.00 0.00 C ATOM 240 C SER A 93 -12.983 -1.443 -1.002 1.00 0.00 C ATOM 241 O SER A 93 -12.832 -2.187 -1.972 1.00 0.00 O ATOM 242 CB SER A 93 -15.223 -0.320 -0.967 1.00 0.00 C ATOM 243 OG SER A 93 -15.937 0.173 -2.093 1.00 0.00 O ATOM 0 H SER A 93 -14.284 0.558 -3.035 1.00 0.00 H new ATOM 0 HA SER A 93 -13.356 0.551 -0.359 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.436 -1.381 -0.833 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.562 0.190 -0.065 1.00 0.00 H new ATOM 0 HG SER A 93 -16.310 -0.579 -2.599 1.00 0.00 H new ATOM 249 N ILE A 94 -12.517 -1.726 0.206 1.00 0.00 N ATOM 250 CA ILE A 94 -11.818 -2.970 0.480 1.00 0.00 C ATOM 251 C ILE A 94 -12.795 -4.021 1.001 1.00 0.00 C ATOM 252 O ILE A 94 -13.453 -3.823 2.024 1.00 0.00 O ATOM 253 CB ILE A 94 -10.664 -2.761 1.492 1.00 0.00 C ATOM 254 CG1 ILE A 94 -9.473 -2.100 0.793 1.00 0.00 C ATOM 255 CG2 ILE A 94 -10.242 -4.081 2.130 1.00 0.00 C ATOM 256 CD1 ILE A 94 -8.763 -1.075 1.646 1.00 0.00 C ATOM 0 H ILE A 94 -12.611 -1.109 1.012 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.382 -3.321 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.020 -2.107 2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.761 -2.871 0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -9.820 -1.621 -0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.431 -3.901 2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.090 -4.518 2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.903 -4.768 1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.931 -0.649 1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.460 -0.283 1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.385 -1.553 2.550 1.00 0.00 H new ATOM 268 N PRO A 95 -12.938 -5.134 0.270 1.00 0.00 N ATOM 269 CA PRO A 95 -13.807 -6.240 0.666 1.00 0.00 C ATOM 270 C PRO A 95 -13.183 -7.099 1.758 1.00 0.00 C ATOM 271 O PRO A 95 -11.972 -7.318 1.773 1.00 0.00 O ATOM 272 CB PRO A 95 -13.969 -7.063 -0.621 1.00 0.00 C ATOM 273 CG PRO A 95 -13.300 -6.271 -1.702 1.00 0.00 C ATOM 274 CD PRO A 95 -12.290 -5.402 -1.018 1.00 0.00 C ATOM 0 HA PRO A 95 -14.750 -5.880 1.077 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.510 -8.046 -0.516 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.022 -7.226 -0.851 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.821 -6.929 -2.427 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.025 -5.669 -2.249 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -11.333 -5.909 -0.895 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.096 -4.486 -1.575 1.00 0.00 H new ATOM 282 N ALA A 96 -14.017 -7.599 2.660 1.00 0.00 N ATOM 283 CA ALA A 96 -13.549 -8.463 3.733 1.00 0.00 C ATOM 284 C ALA A 96 -13.292 -9.870 3.214 1.00 0.00 C ATOM 285 O ALA A 96 -12.781 -10.731 3.931 1.00 0.00 O ATOM 286 CB ALA A 96 -14.560 -8.490 4.864 1.00 0.00 C ATOM 0 H ALA A 96 -15.021 -7.420 2.669 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.610 -8.063 4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.198 -9.140 5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -14.697 -7.481 5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -15.512 -8.868 4.492 1.00 0.00 H new ATOM 292 N SER A 97 -13.653 -10.090 1.959 1.00 0.00 N ATOM 293 CA SER A 97 -13.470 -11.376 1.313 1.00 0.00 C ATOM 294 C SER A 97 -12.278 -11.337 0.365 1.00 0.00 C ATOM 295 O SER A 97 -12.137 -12.194 -0.507 1.00 0.00 O ATOM 296 CB SER A 97 -14.732 -11.741 0.540 1.00 0.00 C ATOM 297 OG SER A 97 -15.722 -10.734 0.697 1.00 0.00 O ATOM 0 H SER A 97 -14.080 -9.382 1.362 1.00 0.00 H new ATOM 0 HA SER A 97 -13.278 -12.128 2.078 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.495 -11.864 -0.517 1.00 0.00 H new ATOM 0 HB3 SER A 97 -15.118 -12.697 0.894 1.00 0.00 H new ATOM 0 HG SER A 97 -16.525 -10.983 0.193 1.00 0.00 H new ATOM 303 N GLU A 98 -11.427 -10.335 0.531 1.00 0.00 N ATOM 304 CA GLU A 98 -10.254 -10.189 -0.311 1.00 0.00 C ATOM 305 C GLU A 98 -9.027 -9.939 0.543 1.00 0.00 C ATOM 306 O GLU A 98 -9.142 -9.574 1.715 1.00 0.00 O ATOM 307 CB GLU A 98 -10.439 -9.039 -1.300 1.00 0.00 C ATOM 308 CG GLU A 98 -10.759 -9.494 -2.714 1.00 0.00 C ATOM 309 CD GLU A 98 -9.559 -10.085 -3.434 1.00 0.00 C ATOM 310 OE1 GLU A 98 -8.603 -10.526 -2.761 1.00 0.00 O ATOM 311 OE2 GLU A 98 -9.571 -10.121 -4.684 1.00 0.00 O ATOM 0 H GLU A 98 -11.529 -9.611 1.243 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.118 -11.113 -0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.242 -8.392 -0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.530 -8.438 -1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.556 -10.236 -2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.137 -8.646 -3.286 1.00 0.00 H new ATOM 318 N LEU A 99 -7.860 -10.136 -0.048 1.00 0.00 N ATOM 319 CA LEU A 99 -6.600 -9.945 0.654 1.00 0.00 C ATOM 320 C LEU A 99 -5.919 -8.671 0.173 1.00 0.00 C ATOM 321 O LEU A 99 -5.527 -8.560 -0.990 1.00 0.00 O ATOM 322 CB LEU A 99 -5.676 -11.152 0.447 1.00 0.00 C ATOM 323 CG LEU A 99 -6.148 -12.467 1.086 1.00 0.00 C ATOM 324 CD1 LEU A 99 -4.961 -13.374 1.375 1.00 0.00 C ATOM 325 CD2 LEU A 99 -6.934 -12.202 2.366 1.00 0.00 C ATOM 0 H LEU A 99 -7.758 -10.430 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.810 -9.852 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.553 -11.313 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.692 -10.907 0.848 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.808 -12.968 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.313 -14.301 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.440 -13.599 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.278 -12.872 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.256 -13.150 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.301 -11.675 3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.808 -11.592 2.137 1.00 0.00 H new ATOM 337 N VAL A 100 -5.771 -7.718 1.077 1.00 0.00 N ATOM 338 CA VAL A 100 -5.248 -6.409 0.727 1.00 0.00 C ATOM 339 C VAL A 100 -3.962 -6.108 1.490 1.00 0.00 C ATOM 340 O VAL A 100 -3.751 -6.595 2.603 1.00 0.00 O ATOM 341 CB VAL A 100 -6.281 -5.300 1.010 1.00 0.00 C ATOM 342 CG1 VAL A 100 -7.369 -5.301 -0.053 1.00 0.00 C ATOM 343 CG2 VAL A 100 -6.887 -5.460 2.399 1.00 0.00 C ATOM 0 H VAL A 100 -6.007 -7.827 2.063 1.00 0.00 H new ATOM 0 HA VAL A 100 -5.032 -6.427 -0.341 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.766 -4.340 0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.089 -4.512 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.922 -5.126 -1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.877 -6.266 -0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.612 -4.665 2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.385 -6.427 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.098 -5.402 3.149 1.00 0.00 H new ATOM 353 N MET A 101 -3.102 -5.308 0.882 1.00 0.00 N ATOM 354 CA MET A 101 -1.838 -4.934 1.498 1.00 0.00 C ATOM 355 C MET A 101 -1.992 -3.633 2.272 1.00 0.00 C ATOM 356 O MET A 101 -2.848 -2.808 1.958 1.00 0.00 O ATOM 357 CB MET A 101 -0.742 -4.783 0.436 1.00 0.00 C ATOM 358 CG MET A 101 0.186 -5.983 0.330 1.00 0.00 C ATOM 359 SD MET A 101 0.093 -6.808 -1.272 1.00 0.00 S ATOM 360 CE MET A 101 1.802 -6.714 -1.799 1.00 0.00 C ATOM 0 H MET A 101 -3.256 -4.903 -0.041 1.00 0.00 H new ATOM 0 HA MET A 101 -1.548 -5.726 2.188 1.00 0.00 H new ATOM 0 HB2 MET A 101 -1.211 -4.612 -0.533 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.149 -3.897 0.664 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.212 -5.659 0.506 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.062 -6.697 1.115 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.010 -7.519 -2.504 1.00 0.00 H new ATOM 0 HE2 MET A 101 1.982 -5.753 -2.282 1.00 0.00 H new ATOM 0 HE3 MET A 101 2.456 -6.812 -0.932 1.00 0.00 H new ATOM 370 N ARG A 102 -1.169 -3.452 3.292 1.00 0.00 N ATOM 371 CA ARG A 102 -1.205 -2.238 4.090 1.00 0.00 C ATOM 372 C ARG A 102 0.156 -1.996 4.713 1.00 0.00 C ATOM 373 O ARG A 102 0.967 -2.918 4.820 1.00 0.00 O ATOM 374 CB ARG A 102 -2.283 -2.313 5.178 1.00 0.00 C ATOM 375 CG ARG A 102 -2.393 -3.663 5.863 1.00 0.00 C ATOM 376 CD ARG A 102 -3.567 -4.475 5.322 1.00 0.00 C ATOM 377 NE ARG A 102 -4.001 -5.518 6.251 1.00 0.00 N ATOM 378 CZ ARG A 102 -3.283 -6.602 6.546 1.00 0.00 C ATOM 379 NH1 ARG A 102 -2.112 -6.812 5.952 1.00 0.00 N ATOM 380 NH2 ARG A 102 -3.743 -7.491 7.413 1.00 0.00 N ATOM 0 H ARG A 102 -0.467 -4.131 3.587 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.457 -1.405 3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.074 -1.553 5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.247 -2.065 4.734 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.468 -4.221 5.719 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.514 -3.518 6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.403 -3.806 5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.283 -4.932 4.374 1.00 0.00 H new ATOM 0 HE ARG A 102 -4.910 -5.409 6.701 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -1.760 -6.142 5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -1.566 -7.643 6.181 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.650 -7.348 7.858 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.191 -8.319 7.636 1.00 0.00 H new ATOM 394 N ALA A 103 0.407 -0.761 5.111 1.00 0.00 N ATOM 395 CA ALA A 103 1.689 -0.394 5.687 1.00 0.00 C ATOM 396 C ALA A 103 1.501 0.192 7.082 1.00 0.00 C ATOM 397 O ALA A 103 0.447 0.029 7.692 1.00 0.00 O ATOM 398 CB ALA A 103 2.396 0.593 4.769 1.00 0.00 C ATOM 0 H ALA A 103 -0.262 0.006 5.046 1.00 0.00 H new ATOM 0 HA ALA A 103 2.308 -1.286 5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.358 0.868 5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.555 0.133 3.794 1.00 0.00 H new ATOM 0 HB3 ALA A 103 1.782 1.486 4.653 1.00 0.00 H new ATOM 404 N GLN A 104 2.516 0.892 7.571 1.00 0.00 N ATOM 405 CA GLN A 104 2.466 1.479 8.910 1.00 0.00 C ATOM 406 C GLN A 104 1.663 2.777 8.913 1.00 0.00 C ATOM 407 O GLN A 104 1.679 3.525 9.891 1.00 0.00 O ATOM 408 CB GLN A 104 3.880 1.746 9.438 1.00 0.00 C ATOM 409 CG GLN A 104 4.886 0.666 9.081 1.00 0.00 C ATOM 410 CD GLN A 104 6.043 1.207 8.268 1.00 0.00 C ATOM 411 OE1 GLN A 104 6.165 0.919 7.079 1.00 0.00 O ATOM 412 NE2 GLN A 104 6.895 1.994 8.904 1.00 0.00 N ATOM 0 H GLN A 104 3.384 1.069 7.064 1.00 0.00 H new ATOM 0 HA GLN A 104 1.971 0.762 9.565 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.230 2.700 9.043 1.00 0.00 H new ATOM 0 HB3 GLN A 104 3.839 1.846 10.523 1.00 0.00 H new ATOM 0 HG2 GLN A 104 5.268 0.211 9.995 1.00 0.00 H new ATOM 0 HG3 GLN A 104 4.386 -0.122 8.518 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.754 2.206 9.892 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.693 2.389 8.407 1.00 0.00 H new ATOM 421 N GLY A 105 0.952 3.034 7.826 1.00 0.00 N ATOM 422 CA GLY A 105 0.184 4.250 7.722 1.00 0.00 C ATOM 423 C GLY A 105 -1.187 4.020 7.129 1.00 0.00 C ATOM 424 O GLY A 105 -2.174 3.900 7.858 1.00 0.00 O ATOM 0 H GLY A 105 0.895 2.419 7.014 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.078 4.695 8.711 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.727 4.967 7.106 1.00 0.00 H new ATOM 428 N ASN A 106 -1.247 3.938 5.806 1.00 0.00 N ATOM 429 CA ASN A 106 -2.523 3.832 5.107 1.00 0.00 C ATOM 430 C ASN A 106 -2.756 2.420 4.562 1.00 0.00 C ATOM 431 O ASN A 106 -1.882 1.553 4.658 1.00 0.00 O ATOM 432 CB ASN A 106 -2.574 4.855 3.971 1.00 0.00 C ATOM 433 CG ASN A 106 -3.388 6.088 4.326 1.00 0.00 C ATOM 434 OD1 ASN A 106 -4.178 6.076 5.270 1.00 0.00 O ATOM 435 ND2 ASN A 106 -3.196 7.164 3.569 1.00 0.00 N ATOM 0 H ASN A 106 -0.430 3.943 5.196 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.319 4.040 5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -1.559 5.157 3.714 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.001 4.386 3.085 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -3.713 8.022 3.761 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -2.531 7.132 2.796 1.00 0.00 H new ATOM 442 N VAL A 107 -3.937 2.199 3.989 1.00 0.00 N ATOM 443 CA VAL A 107 -4.317 0.886 3.472 1.00 0.00 C ATOM 444 C VAL A 107 -4.332 0.879 1.945 1.00 0.00 C ATOM 445 O VAL A 107 -4.597 1.905 1.315 1.00 0.00 O ATOM 446 CB VAL A 107 -5.709 0.444 3.984 1.00 0.00 C ATOM 447 CG1 VAL A 107 -5.571 -0.575 5.104 1.00 0.00 C ATOM 448 CG2 VAL A 107 -6.531 1.639 4.447 1.00 0.00 C ATOM 0 H VAL A 107 -4.652 2.917 3.871 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.567 0.184 3.836 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.236 -0.025 3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.561 -0.872 5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.037 -1.451 4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.016 -0.133 5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -7.503 1.297 4.801 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.009 2.148 5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.670 2.329 3.615 1.00 0.00 H new ATOM 458 N TYR A 108 -4.046 -0.276 1.359 1.00 0.00 N ATOM 459 CA TYR A 108 -4.003 -0.423 -0.089 1.00 0.00 C ATOM 460 C TYR A 108 -4.583 -1.776 -0.501 1.00 0.00 C ATOM 461 O TYR A 108 -5.203 -2.469 0.305 1.00 0.00 O ATOM 462 CB TYR A 108 -2.561 -0.307 -0.606 1.00 0.00 C ATOM 463 CG TYR A 108 -1.795 0.883 -0.068 1.00 0.00 C ATOM 464 CD1 TYR A 108 -1.895 2.130 -0.672 1.00 0.00 C ATOM 465 CD2 TYR A 108 -0.969 0.758 1.044 1.00 0.00 C ATOM 466 CE1 TYR A 108 -1.192 3.218 -0.189 1.00 0.00 C ATOM 467 CE2 TYR A 108 -0.264 1.841 1.535 1.00 0.00 C ATOM 468 CZ TYR A 108 -0.381 3.070 0.914 1.00 0.00 C ATOM 469 OH TYR A 108 0.318 4.156 1.395 1.00 0.00 O ATOM 0 H TYR A 108 -3.838 -1.133 1.871 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.601 0.376 -0.527 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.021 -1.218 -0.347 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -2.582 -0.248 -1.694 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.533 2.252 -1.535 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.877 -0.201 1.532 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.278 4.179 -0.674 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.374 1.727 2.399 1.00 0.00 H new ATOM 0 HH TYR A 108 -0.182 4.977 1.205 1.00 0.00 H new ATOM 479 N HIS A 109 -4.390 -2.126 -1.761 1.00 0.00 N ATOM 480 CA HIS A 109 -4.743 -3.442 -2.282 1.00 0.00 C ATOM 481 C HIS A 109 -3.456 -4.194 -2.597 1.00 0.00 C ATOM 482 O HIS A 109 -2.404 -3.877 -2.047 1.00 0.00 O ATOM 483 CB HIS A 109 -5.593 -3.328 -3.560 1.00 0.00 C ATOM 484 CG HIS A 109 -6.953 -2.722 -3.372 1.00 0.00 C ATOM 485 ND1 HIS A 109 -7.194 -1.381 -3.580 1.00 0.00 N ATOM 486 CD2 HIS A 109 -8.120 -3.323 -3.025 1.00 0.00 C ATOM 487 CE1 HIS A 109 -8.485 -1.200 -3.364 1.00 0.00 C ATOM 488 NE2 HIS A 109 -9.091 -2.350 -3.026 1.00 0.00 N ATOM 0 H HIS A 109 -3.982 -1.504 -2.458 1.00 0.00 H new ATOM 0 HA HIS A 109 -5.331 -3.973 -1.534 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -5.045 -2.732 -4.289 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.713 -4.324 -3.987 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -8.259 -4.368 -2.792 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -8.989 -0.248 -3.448 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -10.080 -2.477 -2.812 1.00 0.00 H new ATOM 496 N LEU A 110 -3.529 -5.183 -3.478 1.00 0.00 N ATOM 497 CA LEU A 110 -2.335 -5.911 -3.899 1.00 0.00 C ATOM 498 C LEU A 110 -1.635 -5.204 -5.061 1.00 0.00 C ATOM 499 O LEU A 110 -0.438 -5.386 -5.283 1.00 0.00 O ATOM 500 CB LEU A 110 -2.691 -7.348 -4.292 1.00 0.00 C ATOM 501 CG LEU A 110 -3.823 -7.484 -5.315 1.00 0.00 C ATOM 502 CD1 LEU A 110 -3.346 -8.243 -6.546 1.00 0.00 C ATOM 503 CD2 LEU A 110 -5.019 -8.190 -4.691 1.00 0.00 C ATOM 0 H LEU A 110 -4.395 -5.499 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.647 -5.937 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.800 -7.829 -4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.969 -7.895 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.128 -6.484 -5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.165 -8.329 -7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.517 -7.705 -7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.014 -9.239 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.815 -8.279 -5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.721 -9.184 -4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.378 -7.613 -3.839 1.00 0.00 H new ATOM 515 N LYS A 111 -2.392 -4.395 -5.797 1.00 0.00 N ATOM 516 CA LYS A 111 -1.883 -3.757 -7.012 1.00 0.00 C ATOM 517 C LYS A 111 -1.233 -2.407 -6.714 1.00 0.00 C ATOM 518 O LYS A 111 -0.226 -2.040 -7.318 1.00 0.00 O ATOM 519 CB LYS A 111 -3.019 -3.574 -8.027 1.00 0.00 C ATOM 520 CG LYS A 111 -4.218 -2.809 -7.485 1.00 0.00 C ATOM 521 CD LYS A 111 -4.783 -1.848 -8.526 1.00 0.00 C ATOM 522 CE LYS A 111 -4.118 -0.475 -8.450 1.00 0.00 C ATOM 523 NZ LYS A 111 -5.082 0.637 -8.681 1.00 0.00 N ATOM 0 H LYS A 111 -3.360 -4.164 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 111 -1.119 -4.411 -7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.631 -3.049 -8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.351 -4.555 -8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.992 -3.513 -7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -3.924 -2.252 -6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.640 -2.266 -9.522 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.857 -1.740 -8.376 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -3.654 -0.353 -7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -3.320 -0.420 -9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -4.561 1.504 -8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -5.719 0.387 -9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.640 0.797 -7.818 1.00 0.00 H new ATOM 537 N CYS A 112 -1.813 -1.682 -5.771 1.00 0.00 N ATOM 538 CA CYS A 112 -1.396 -0.327 -5.447 1.00 0.00 C ATOM 539 C CYS A 112 -0.082 -0.324 -4.665 1.00 0.00 C ATOM 540 O CYS A 112 0.558 0.716 -4.512 1.00 0.00 O ATOM 541 CB CYS A 112 -2.523 0.302 -4.643 1.00 0.00 C ATOM 542 SG CYS A 112 -3.778 -0.936 -4.206 1.00 0.00 S ATOM 0 H CYS A 112 -2.592 -2.019 -5.205 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.209 0.246 -6.355 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.120 0.753 -3.736 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.983 1.104 -5.220 1.00 0.00 H new ATOM 0 HG CYS A 112 -4.903 -0.340 -3.944 1.00 0.00 H new ATOM 547 N PHE A 113 0.314 -1.497 -4.181 1.00 0.00 N ATOM 548 CA PHE A 113 1.592 -1.660 -3.499 1.00 0.00 C ATOM 549 C PHE A 113 2.721 -1.757 -4.522 1.00 0.00 C ATOM 550 O PHE A 113 3.385 -2.788 -4.648 1.00 0.00 O ATOM 551 CB PHE A 113 1.570 -2.915 -2.618 1.00 0.00 C ATOM 552 CG PHE A 113 2.020 -2.678 -1.200 1.00 0.00 C ATOM 553 CD1 PHE A 113 1.616 -1.542 -0.516 1.00 0.00 C ATOM 554 CD2 PHE A 113 2.837 -3.592 -0.546 1.00 0.00 C ATOM 555 CE1 PHE A 113 2.019 -1.318 0.786 1.00 0.00 C ATOM 556 CE2 PHE A 113 3.243 -3.370 0.756 1.00 0.00 C ATOM 557 CZ PHE A 113 2.831 -2.234 1.424 1.00 0.00 C ATOM 0 H PHE A 113 -0.236 -2.353 -4.250 1.00 0.00 H new ATOM 0 HA PHE A 113 1.763 -0.791 -2.863 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.558 -3.319 -2.604 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.209 -3.674 -3.069 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.978 -0.823 -1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.158 -4.485 -1.061 1.00 0.00 H new ATOM 0 HE1 PHE A 113 1.699 -0.426 1.305 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.883 -4.085 1.251 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.143 -2.062 2.444 1.00 0.00 H new ATOM 567 N THR A 114 2.925 -0.681 -5.263 1.00 0.00 N ATOM 568 CA THR A 114 3.946 -0.645 -6.295 1.00 0.00 C ATOM 569 C THR A 114 4.889 0.536 -6.073 1.00 0.00 C ATOM 570 O THR A 114 4.510 1.522 -5.444 1.00 0.00 O ATOM 571 CB THR A 114 3.305 -0.521 -7.689 1.00 0.00 C ATOM 572 OG1 THR A 114 1.906 -0.214 -7.565 1.00 0.00 O ATOM 573 CG2 THR A 114 3.469 -1.805 -8.489 1.00 0.00 C ATOM 0 H THR A 114 2.393 0.184 -5.168 1.00 0.00 H new ATOM 0 HA THR A 114 4.510 -1.576 -6.239 1.00 0.00 H new ATOM 0 HB THR A 114 3.814 0.285 -8.218 1.00 0.00 H new ATOM 0 HG1 THR A 114 1.392 -1.047 -7.513 1.00 0.00 H new ATOM 0 HG21 THR A 114 3.006 -1.685 -9.468 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.530 -2.023 -8.613 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.989 -2.628 -7.959 1.00 0.00 H new ATOM 581 N CYS A 115 6.114 0.424 -6.576 1.00 0.00 N ATOM 582 CA CYS A 115 7.072 1.509 -6.496 1.00 0.00 C ATOM 583 C CYS A 115 6.574 2.724 -7.267 1.00 0.00 C ATOM 584 O CYS A 115 6.071 2.609 -8.388 1.00 0.00 O ATOM 585 CB CYS A 115 8.418 1.056 -7.055 1.00 0.00 C ATOM 586 SG CYS A 115 9.801 2.159 -6.645 1.00 0.00 S ATOM 0 H CYS A 115 6.463 -0.412 -7.044 1.00 0.00 H new ATOM 0 HA CYS A 115 7.192 1.788 -5.449 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.639 0.058 -6.677 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.340 0.976 -8.139 1.00 0.00 H new ATOM 0 HG CYS A 115 10.880 1.455 -6.470 1.00 0.00 H new ATOM 591 N SER A 116 6.721 3.884 -6.663 1.00 0.00 N ATOM 592 CA SER A 116 6.307 5.121 -7.290 1.00 0.00 C ATOM 593 C SER A 116 7.373 5.616 -8.261 1.00 0.00 C ATOM 594 O SER A 116 7.095 6.439 -9.136 1.00 0.00 O ATOM 595 CB SER A 116 6.026 6.182 -6.225 1.00 0.00 C ATOM 596 OG SER A 116 5.338 5.627 -5.114 1.00 0.00 O ATOM 0 H SER A 116 7.126 3.996 -5.734 1.00 0.00 H new ATOM 0 HA SER A 116 5.392 4.934 -7.852 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.965 6.623 -5.891 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.432 6.987 -6.658 1.00 0.00 H new ATOM 0 HG SER A 116 5.987 5.276 -4.469 1.00 0.00 H new ATOM 602 N THR A 117 8.589 5.099 -8.125 1.00 0.00 N ATOM 603 CA THR A 117 9.694 5.555 -8.954 1.00 0.00 C ATOM 604 C THR A 117 9.905 4.671 -10.180 1.00 0.00 C ATOM 605 O THR A 117 9.958 5.172 -11.302 1.00 0.00 O ATOM 606 CB THR A 117 11.000 5.610 -8.147 1.00 0.00 C ATOM 607 OG1 THR A 117 10.708 5.489 -6.750 1.00 0.00 O ATOM 608 CG2 THR A 117 11.740 6.913 -8.405 1.00 0.00 C ATOM 0 H THR A 117 8.832 4.370 -7.454 1.00 0.00 H new ATOM 0 HA THR A 117 9.427 6.555 -9.295 1.00 0.00 H new ATOM 0 HB THR A 117 11.637 4.783 -8.462 1.00 0.00 H new ATOM 0 HG1 THR A 117 11.484 5.112 -6.285 1.00 0.00 H new ATOM 0 HG21 THR A 117 12.661 6.929 -7.823 1.00 0.00 H new ATOM 0 HG22 THR A 117 11.979 6.992 -9.466 1.00 0.00 H new ATOM 0 HG23 THR A 117 11.111 7.753 -8.112 1.00 0.00 H new ATOM 616 N CYS A 118 10.006 3.364 -9.983 1.00 0.00 N ATOM 617 CA CYS A 118 10.317 2.472 -11.092 1.00 0.00 C ATOM 618 C CYS A 118 9.147 1.540 -11.402 1.00 0.00 C ATOM 619 O CYS A 118 9.179 0.797 -12.384 1.00 0.00 O ATOM 620 CB CYS A 118 11.584 1.670 -10.788 1.00 0.00 C ATOM 621 SG CYS A 118 11.357 0.330 -9.584 1.00 0.00 S ATOM 0 H CYS A 118 9.880 2.903 -9.082 1.00 0.00 H new ATOM 0 HA CYS A 118 10.494 3.083 -11.977 1.00 0.00 H new ATOM 0 HB2 CYS A 118 11.962 1.245 -11.718 1.00 0.00 H new ATOM 0 HB3 CYS A 118 12.349 2.351 -10.415 1.00 0.00 H new ATOM 0 HG CYS A 118 10.823 0.807 -8.499 1.00 0.00 H new ATOM 626 N ARG A 119 8.129 1.589 -10.542 1.00 0.00 N ATOM 627 CA ARG A 119 6.892 0.820 -10.716 1.00 0.00 C ATOM 628 C ARG A 119 7.076 -0.649 -10.349 1.00 0.00 C ATOM 629 O ARG A 119 6.219 -1.479 -10.655 1.00 0.00 O ATOM 630 CB ARG A 119 6.348 0.943 -12.146 1.00 0.00 C ATOM 631 CG ARG A 119 4.833 0.991 -12.216 1.00 0.00 C ATOM 632 CD ARG A 119 4.271 -0.255 -12.882 1.00 0.00 C ATOM 633 NE ARG A 119 2.927 -0.035 -13.412 1.00 0.00 N ATOM 634 CZ ARG A 119 1.808 -0.317 -12.745 1.00 0.00 C ATOM 635 NH1 ARG A 119 1.870 -0.841 -11.531 1.00 0.00 N ATOM 636 NH2 ARG A 119 0.625 -0.072 -13.289 1.00 0.00 N ATOM 0 H ARG A 119 8.137 2.165 -9.701 1.00 0.00 H new ATOM 0 HA ARG A 119 6.162 1.250 -10.030 1.00 0.00 H new ATOM 0 HB2 ARG A 119 6.754 1.845 -12.604 1.00 0.00 H new ATOM 0 HB3 ARG A 119 6.704 0.098 -12.736 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.423 1.085 -11.210 1.00 0.00 H new ATOM 0 HG3 ARG A 119 4.520 1.875 -12.771 1.00 0.00 H new ATOM 0 HD2 ARG A 119 4.933 -0.564 -13.691 1.00 0.00 H new ATOM 0 HD3 ARG A 119 4.247 -1.072 -12.161 1.00 0.00 H new ATOM 0 HE ARG A 119 2.840 0.358 -14.349 1.00 0.00 H new ATOM 0 HH11 ARG A 119 2.776 -1.030 -11.103 1.00 0.00 H new ATOM 0 HH12 ARG A 119 1.012 -1.055 -11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 119 0.567 0.334 -14.223 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -0.228 -0.290 -12.774 1.00 0.00 H new ATOM 650 N ASN A 120 8.184 -0.967 -9.694 1.00 0.00 N ATOM 651 CA ASN A 120 8.408 -2.321 -9.194 1.00 0.00 C ATOM 652 C ASN A 120 7.359 -2.662 -8.143 1.00 0.00 C ATOM 653 O ASN A 120 7.258 -1.992 -7.118 1.00 0.00 O ATOM 654 CB ASN A 120 9.815 -2.452 -8.592 1.00 0.00 C ATOM 655 CG ASN A 120 9.936 -3.604 -7.608 1.00 0.00 C ATOM 656 OD1 ASN A 120 9.864 -4.774 -7.988 1.00 0.00 O ATOM 657 ND2 ASN A 120 10.121 -3.280 -6.335 1.00 0.00 N ATOM 0 H ASN A 120 8.940 -0.311 -9.496 1.00 0.00 H new ATOM 0 HA ASN A 120 8.324 -3.018 -10.028 1.00 0.00 H new ATOM 0 HB2 ASN A 120 10.537 -2.592 -9.397 1.00 0.00 H new ATOM 0 HB3 ASN A 120 10.076 -1.522 -8.088 1.00 0.00 H new ATOM 0 HD21 ASN A 120 10.209 -4.012 -5.630 1.00 0.00 H new ATOM 0 HD22 ASN A 120 10.175 -2.299 -6.061 1.00 0.00 H new ATOM 664 N ARG A 121 6.557 -3.680 -8.409 1.00 0.00 N ATOM 665 CA ARG A 121 5.563 -4.116 -7.443 1.00 0.00 C ATOM 666 C ARG A 121 6.249 -4.676 -6.210 1.00 0.00 C ATOM 667 O ARG A 121 7.054 -5.602 -6.303 1.00 0.00 O ATOM 668 CB ARG A 121 4.629 -5.166 -8.047 1.00 0.00 C ATOM 669 CG ARG A 121 3.592 -5.702 -7.064 1.00 0.00 C ATOM 670 CD ARG A 121 2.173 -5.583 -7.610 1.00 0.00 C ATOM 671 NE ARG A 121 2.135 -5.579 -9.075 1.00 0.00 N ATOM 672 CZ ARG A 121 2.159 -6.681 -9.827 1.00 0.00 C ATOM 673 NH1 ARG A 121 2.141 -7.881 -9.256 1.00 0.00 N ATOM 674 NH2 ARG A 121 2.186 -6.581 -11.151 1.00 0.00 N ATOM 0 H ARG A 121 6.574 -4.215 -9.277 1.00 0.00 H new ATOM 0 HA ARG A 121 4.962 -3.252 -7.160 1.00 0.00 H new ATOM 0 HB2 ARG A 121 4.114 -4.732 -8.904 1.00 0.00 H new ATOM 0 HB3 ARG A 121 5.226 -5.998 -8.422 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.809 -6.747 -6.842 1.00 0.00 H new ATOM 0 HG3 ARG A 121 3.666 -5.155 -6.124 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.572 -6.412 -7.236 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.718 -4.666 -7.235 1.00 0.00 H new ATOM 0 HE ARG A 121 2.087 -4.677 -9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.109 -7.962 -8.240 1.00 0.00 H new ATOM 0 HH12 ARG A 121 2.159 -8.721 -9.834 1.00 0.00 H new ATOM 0 HH21 ARG A 121 2.188 -5.662 -11.593 1.00 0.00 H new ATOM 0 HH22 ARG A 121 2.204 -7.423 -11.726 1.00 0.00 H new ATOM 688 N LEU A 122 5.938 -4.096 -5.067 1.00 0.00 N ATOM 689 CA LEU A 122 6.510 -4.540 -3.811 1.00 0.00 C ATOM 690 C LEU A 122 5.978 -5.922 -3.477 1.00 0.00 C ATOM 691 O LEU A 122 4.765 -6.148 -3.474 1.00 0.00 O ATOM 692 CB LEU A 122 6.187 -3.536 -2.702 1.00 0.00 C ATOM 693 CG LEU A 122 6.304 -2.066 -3.117 1.00 0.00 C ATOM 694 CD1 LEU A 122 5.726 -1.162 -2.043 1.00 0.00 C ATOM 695 CD2 LEU A 122 7.758 -1.704 -3.408 1.00 0.00 C ATOM 0 H LEU A 122 5.290 -3.313 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 122 7.595 -4.599 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.173 -3.720 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 122 6.856 -3.717 -1.861 1.00 0.00 H new ATOM 0 HG LEU A 122 5.729 -1.919 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 122 5.818 -0.122 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.674 -1.404 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.271 -1.311 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.820 -0.656 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.360 -1.867 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.134 -2.330 -4.217 1.00 0.00 H new ATOM 707 N VAL A 123 6.881 -6.849 -3.212 1.00 0.00 N ATOM 708 CA VAL A 123 6.504 -8.242 -3.037 1.00 0.00 C ATOM 709 C VAL A 123 6.612 -8.626 -1.572 1.00 0.00 C ATOM 710 O VAL A 123 7.580 -8.267 -0.910 1.00 0.00 O ATOM 711 CB VAL A 123 7.392 -9.182 -3.892 1.00 0.00 C ATOM 712 CG1 VAL A 123 7.009 -10.646 -3.700 1.00 0.00 C ATOM 713 CG2 VAL A 123 7.310 -8.798 -5.363 1.00 0.00 C ATOM 0 H VAL A 123 7.879 -6.664 -3.113 1.00 0.00 H new ATOM 0 HA VAL A 123 5.473 -8.355 -3.371 1.00 0.00 H new ATOM 0 HB VAL A 123 8.421 -9.063 -3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 123 7.653 -11.274 -4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.130 -10.919 -2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 123 5.970 -10.792 -3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 123 7.939 -9.468 -5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 123 6.278 -8.879 -5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 123 7.654 -7.772 -5.491 1.00 0.00 H new ATOM 723 N PRO A 124 5.598 -9.315 -1.032 1.00 0.00 N ATOM 724 CA PRO A 124 5.649 -9.824 0.336 1.00 0.00 C ATOM 725 C PRO A 124 6.872 -10.707 0.545 1.00 0.00 C ATOM 726 O PRO A 124 6.948 -11.816 0.016 1.00 0.00 O ATOM 727 CB PRO A 124 4.367 -10.647 0.467 1.00 0.00 C ATOM 728 CG PRO A 124 3.449 -10.099 -0.572 1.00 0.00 C ATOM 729 CD PRO A 124 4.329 -9.640 -1.700 1.00 0.00 C ATOM 0 HA PRO A 124 5.722 -9.027 1.076 1.00 0.00 H new ATOM 0 HB2 PRO A 124 4.560 -11.707 0.303 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.937 -10.551 1.464 1.00 0.00 H new ATOM 0 HG2 PRO A 124 2.745 -10.859 -0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.860 -9.272 -0.175 1.00 0.00 H new ATOM 0 HD2 PRO A 124 4.458 -10.419 -2.451 1.00 0.00 H new ATOM 0 HD3 PRO A 124 3.909 -8.773 -2.209 1.00 0.00 H new ATOM 737 N GLY A 125 7.822 -10.211 1.321 1.00 0.00 N ATOM 738 CA GLY A 125 9.072 -10.921 1.511 1.00 0.00 C ATOM 739 C GLY A 125 10.184 -10.391 0.619 1.00 0.00 C ATOM 740 O GLY A 125 11.272 -10.965 0.567 1.00 0.00 O ATOM 0 H GLY A 125 7.751 -9.327 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 125 9.377 -10.840 2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 125 8.919 -11.980 1.305 1.00 0.00 H new ATOM 744 N ASP A 126 9.915 -9.302 -0.089 1.00 0.00 N ATOM 745 CA ASP A 126 10.915 -8.685 -0.955 1.00 0.00 C ATOM 746 C ASP A 126 11.156 -7.236 -0.547 1.00 0.00 C ATOM 747 O ASP A 126 10.463 -6.707 0.324 1.00 0.00 O ATOM 748 CB ASP A 126 10.477 -8.755 -2.422 1.00 0.00 C ATOM 749 CG ASP A 126 11.612 -8.445 -3.382 1.00 0.00 C ATOM 750 OD1 ASP A 126 12.769 -8.800 -3.068 1.00 0.00 O ATOM 751 OD2 ASP A 126 11.358 -7.829 -4.439 1.00 0.00 O ATOM 0 H ASP A 126 9.013 -8.826 -0.082 1.00 0.00 H new ATOM 0 HA ASP A 126 11.848 -9.238 -0.845 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.087 -9.750 -2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.662 -8.051 -2.589 1.00 0.00 H new ATOM 756 N ARG A 127 12.133 -6.605 -1.179 1.00 0.00 N ATOM 757 CA ARG A 127 12.532 -5.242 -0.850 1.00 0.00 C ATOM 758 C ARG A 127 11.429 -4.223 -1.154 1.00 0.00 C ATOM 759 O ARG A 127 10.725 -4.324 -2.163 1.00 0.00 O ATOM 760 CB ARG A 127 13.817 -4.889 -1.609 1.00 0.00 C ATOM 761 CG ARG A 127 13.627 -4.675 -3.105 1.00 0.00 C ATOM 762 CD ARG A 127 14.231 -5.808 -3.922 1.00 0.00 C ATOM 763 NE ARG A 127 13.434 -6.100 -5.113 1.00 0.00 N ATOM 764 CZ ARG A 127 13.680 -5.589 -6.322 1.00 0.00 C ATOM 765 NH1 ARG A 127 14.767 -4.851 -6.529 1.00 0.00 N ATOM 766 NH2 ARG A 127 12.851 -5.832 -7.330 1.00 0.00 N ATOM 0 H ARG A 127 12.674 -7.023 -1.936 1.00 0.00 H new ATOM 0 HA ARG A 127 12.714 -5.196 0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.243 -3.984 -1.176 1.00 0.00 H new ATOM 0 HB3 ARG A 127 14.544 -5.687 -1.458 1.00 0.00 H new ATOM 0 HG2 ARG A 127 12.563 -4.594 -3.328 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.087 -3.731 -3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 127 15.245 -5.542 -4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 127 14.304 -6.703 -3.304 1.00 0.00 H new ATOM 0 HE ARG A 127 12.641 -6.734 -5.014 1.00 0.00 H new ATOM 0 HH11 ARG A 127 15.416 -4.674 -5.763 1.00 0.00 H new ATOM 0 HH12 ARG A 127 14.951 -4.463 -7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 127 12.024 -6.410 -7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 127 13.041 -5.440 -8.252 1.00 0.00 H new ATOM 780 N PHE A 128 11.294 -3.246 -0.263 1.00 0.00 N ATOM 781 CA PHE A 128 10.333 -2.162 -0.418 1.00 0.00 C ATOM 782 C PHE A 128 10.806 -0.963 0.400 1.00 0.00 C ATOM 783 O PHE A 128 11.761 -1.080 1.162 1.00 0.00 O ATOM 784 CB PHE A 128 8.921 -2.630 0.004 1.00 0.00 C ATOM 785 CG PHE A 128 8.355 -1.994 1.252 1.00 0.00 C ATOM 786 CD1 PHE A 128 8.920 -2.234 2.496 1.00 0.00 C ATOM 787 CD2 PHE A 128 7.241 -1.168 1.177 1.00 0.00 C ATOM 788 CE1 PHE A 128 8.396 -1.654 3.636 1.00 0.00 C ATOM 789 CE2 PHE A 128 6.712 -0.588 2.314 1.00 0.00 C ATOM 790 CZ PHE A 128 7.288 -0.833 3.545 1.00 0.00 C ATOM 0 H PHE A 128 11.851 -3.184 0.590 1.00 0.00 H new ATOM 0 HA PHE A 128 10.269 -1.863 -1.464 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.235 -2.437 -0.821 1.00 0.00 H new ATOM 0 HB3 PHE A 128 8.947 -3.710 0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 128 9.780 -2.882 2.575 1.00 0.00 H new ATOM 0 HD2 PHE A 128 6.783 -0.977 0.218 1.00 0.00 H new ATOM 0 HE1 PHE A 128 8.852 -1.842 4.597 1.00 0.00 H new ATOM 0 HE2 PHE A 128 5.849 0.057 2.240 1.00 0.00 H new ATOM 0 HZ PHE A 128 6.873 -0.384 4.435 1.00 0.00 H new ATOM 800 N HIS A 129 10.166 0.183 0.227 1.00 0.00 N ATOM 801 CA HIS A 129 10.489 1.369 1.007 1.00 0.00 C ATOM 802 C HIS A 129 9.236 2.201 1.267 1.00 0.00 C ATOM 803 O HIS A 129 8.405 2.379 0.378 1.00 0.00 O ATOM 804 CB HIS A 129 11.531 2.219 0.276 1.00 0.00 C ATOM 805 CG HIS A 129 12.894 2.198 0.900 1.00 0.00 C ATOM 806 ND1 HIS A 129 13.275 3.146 1.818 1.00 0.00 N ATOM 807 CD2 HIS A 129 13.933 1.353 0.683 1.00 0.00 C ATOM 808 CE1 HIS A 129 14.528 2.867 2.136 1.00 0.00 C ATOM 809 NE2 HIS A 129 14.970 1.786 1.472 1.00 0.00 N ATOM 0 H HIS A 129 9.416 0.318 -0.451 1.00 0.00 H new ATOM 0 HA HIS A 129 10.900 1.045 1.963 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.610 1.869 -0.753 1.00 0.00 H new ATOM 0 HB3 HIS A 129 11.179 3.250 0.236 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.943 0.503 0.017 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.120 3.435 2.839 1.00 0.00 H new ATOM 0 HE2 HIS A 129 15.898 1.367 1.541 1.00 0.00 H new ATOM 817 N TYR A 130 9.099 2.694 2.487 1.00 0.00 N ATOM 818 CA TYR A 130 7.986 3.550 2.854 1.00 0.00 C ATOM 819 C TYR A 130 8.528 4.843 3.433 1.00 0.00 C ATOM 820 O TYR A 130 8.924 4.893 4.600 1.00 0.00 O ATOM 821 CB TYR A 130 7.092 2.839 3.879 1.00 0.00 C ATOM 822 CG TYR A 130 5.642 3.278 3.865 1.00 0.00 C ATOM 823 CD1 TYR A 130 4.943 3.401 2.674 1.00 0.00 C ATOM 824 CD2 TYR A 130 4.971 3.553 5.052 1.00 0.00 C ATOM 825 CE1 TYR A 130 3.613 3.790 2.660 1.00 0.00 C ATOM 826 CE2 TYR A 130 3.643 3.943 5.048 1.00 0.00 C ATOM 827 CZ TYR A 130 2.967 4.060 3.850 1.00 0.00 C ATOM 828 OH TYR A 130 1.641 4.443 3.842 1.00 0.00 O ATOM 0 H TYR A 130 9.754 2.512 3.247 1.00 0.00 H new ATOM 0 HA TYR A 130 7.386 3.772 1.972 1.00 0.00 H new ATOM 0 HB2 TYR A 130 7.134 1.765 3.695 1.00 0.00 H new ATOM 0 HB3 TYR A 130 7.499 3.008 4.876 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.444 3.190 1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.495 3.461 5.992 1.00 0.00 H new ATOM 0 HE1 TYR A 130 3.084 3.882 1.723 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.138 4.155 5.979 1.00 0.00 H new ATOM 0 HH TYR A 130 1.266 4.306 2.947 1.00 0.00 H new ATOM 838 N ILE A 131 8.540 5.889 2.624 1.00 0.00 N ATOM 839 CA ILE A 131 9.079 7.169 3.057 1.00 0.00 C ATOM 840 C ILE A 131 8.004 8.242 2.983 1.00 0.00 C ATOM 841 O ILE A 131 7.640 8.694 1.899 1.00 0.00 O ATOM 842 CB ILE A 131 10.308 7.595 2.211 1.00 0.00 C ATOM 843 CG1 ILE A 131 11.246 6.400 1.992 1.00 0.00 C ATOM 844 CG2 ILE A 131 11.054 8.743 2.885 1.00 0.00 C ATOM 845 CD1 ILE A 131 12.021 6.000 3.230 1.00 0.00 C ATOM 0 H ILE A 131 8.185 5.879 1.668 1.00 0.00 H new ATOM 0 HA ILE A 131 9.409 7.053 4.089 1.00 0.00 H new ATOM 0 HB ILE A 131 9.954 7.941 1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 131 10.660 5.547 1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 131 11.950 6.643 1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 131 11.912 9.027 2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 131 10.386 9.598 2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.397 8.426 3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 131 12.662 5.149 2.999 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.635 6.838 3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 131 11.325 5.725 4.022 1.00 0.00 H new ATOM 857 N ASN A 132 7.479 8.611 4.149 1.00 0.00 N ATOM 858 CA ASN A 132 6.441 9.640 4.263 1.00 0.00 C ATOM 859 C ASN A 132 5.216 9.298 3.415 1.00 0.00 C ATOM 860 O ASN A 132 4.791 10.081 2.562 1.00 0.00 O ATOM 861 CB ASN A 132 6.988 11.021 3.877 1.00 0.00 C ATOM 862 CG ASN A 132 6.374 12.134 4.706 1.00 0.00 C ATOM 863 OD1 ASN A 132 5.918 11.909 5.830 1.00 0.00 O ATOM 864 ND2 ASN A 132 6.359 13.339 4.161 1.00 0.00 N ATOM 0 H ASN A 132 7.759 8.207 5.043 1.00 0.00 H new ATOM 0 HA ASN A 132 6.130 9.670 5.307 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.070 11.030 4.005 1.00 0.00 H new ATOM 0 HB3 ASN A 132 6.791 11.206 2.821 1.00 0.00 H new ATOM 0 HD21 ASN A 132 5.960 14.125 4.673 1.00 0.00 H new ATOM 0 HD22 ASN A 132 6.747 13.482 3.228 1.00 0.00 H new ATOM 871 N GLY A 133 4.663 8.117 3.665 1.00 0.00 N ATOM 872 CA GLY A 133 3.482 7.669 2.954 1.00 0.00 C ATOM 873 C GLY A 133 3.713 7.483 1.470 1.00 0.00 C ATOM 874 O GLY A 133 2.806 7.692 0.666 1.00 0.00 O ATOM 0 H GLY A 133 5.017 7.455 4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 133 3.144 6.726 3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 133 2.680 8.393 3.102 1.00 0.00 H new ATOM 878 N SER A 134 4.918 7.077 1.101 1.00 0.00 N ATOM 879 CA SER A 134 5.249 6.894 -0.300 1.00 0.00 C ATOM 880 C SER A 134 5.924 5.547 -0.497 1.00 0.00 C ATOM 881 O SER A 134 6.834 5.187 0.254 1.00 0.00 O ATOM 882 CB SER A 134 6.157 8.020 -0.801 1.00 0.00 C ATOM 883 OG SER A 134 5.829 9.261 -0.197 1.00 0.00 O ATOM 0 H SER A 134 5.678 6.869 1.749 1.00 0.00 H new ATOM 0 HA SER A 134 4.326 6.922 -0.880 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.197 7.773 -0.586 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.067 8.106 -1.884 1.00 0.00 H new ATOM 0 HG SER A 134 6.342 9.368 0.631 1.00 0.00 H new ATOM 889 N LEU A 135 5.472 4.809 -1.500 1.00 0.00 N ATOM 890 CA LEU A 135 5.988 3.474 -1.759 1.00 0.00 C ATOM 891 C LEU A 135 7.146 3.516 -2.744 1.00 0.00 C ATOM 892 O LEU A 135 6.995 3.930 -3.890 1.00 0.00 O ATOM 893 CB LEU A 135 4.873 2.566 -2.285 1.00 0.00 C ATOM 894 CG LEU A 135 3.691 2.379 -1.334 1.00 0.00 C ATOM 895 CD1 LEU A 135 2.497 1.808 -2.080 1.00 0.00 C ATOM 896 CD2 LEU A 135 4.083 1.476 -0.177 1.00 0.00 C ATOM 0 H LEU A 135 4.747 5.114 -2.149 1.00 0.00 H new ATOM 0 HA LEU A 135 6.360 3.067 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.503 2.977 -3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.297 1.588 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 135 3.409 3.352 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.663 1.681 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.206 2.491 -2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.764 0.842 -2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.232 1.352 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.387 0.503 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 135 4.912 1.925 0.370 1.00 0.00 H new ATOM 908 N PHE A 136 8.303 3.101 -2.269 1.00 0.00 N ATOM 909 CA PHE A 136 9.508 3.037 -3.080 1.00 0.00 C ATOM 910 C PHE A 136 10.109 1.648 -2.951 1.00 0.00 C ATOM 911 O PHE A 136 9.548 0.801 -2.254 1.00 0.00 O ATOM 912 CB PHE A 136 10.526 4.087 -2.628 1.00 0.00 C ATOM 913 CG PHE A 136 10.023 5.501 -2.710 1.00 0.00 C ATOM 914 CD1 PHE A 136 9.711 6.074 -3.933 1.00 0.00 C ATOM 915 CD2 PHE A 136 9.875 6.262 -1.562 1.00 0.00 C ATOM 916 CE1 PHE A 136 9.257 7.377 -4.009 1.00 0.00 C ATOM 917 CE2 PHE A 136 9.425 7.564 -1.631 1.00 0.00 C ATOM 918 CZ PHE A 136 9.116 8.124 -2.854 1.00 0.00 C ATOM 0 H PHE A 136 8.437 2.796 -1.305 1.00 0.00 H new ATOM 0 HA PHE A 136 9.251 3.241 -4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.819 3.875 -1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 136 11.423 3.995 -3.240 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.824 5.495 -4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 136 10.115 5.831 -0.601 1.00 0.00 H new ATOM 0 HE1 PHE A 136 9.013 7.811 -4.968 1.00 0.00 H new ATOM 0 HE2 PHE A 136 9.314 8.145 -0.728 1.00 0.00 H new ATOM 0 HZ PHE A 136 8.765 9.144 -2.909 1.00 0.00 H new ATOM 928 N CYS A 137 11.225 1.405 -3.616 1.00 0.00 N ATOM 929 CA CYS A 137 11.904 0.129 -3.498 1.00 0.00 C ATOM 930 C CYS A 137 13.388 0.334 -3.180 1.00 0.00 C ATOM 931 O CYS A 137 13.855 1.463 -3.031 1.00 0.00 O ATOM 932 CB CYS A 137 11.741 -0.677 -4.786 1.00 0.00 C ATOM 933 SG CYS A 137 12.857 -0.152 -6.116 1.00 0.00 S ATOM 0 H CYS A 137 11.678 2.072 -4.241 1.00 0.00 H new ATOM 0 HA CYS A 137 11.452 -0.428 -2.677 1.00 0.00 H new ATOM 0 HB2 CYS A 137 11.917 -1.731 -4.570 1.00 0.00 H new ATOM 0 HB3 CYS A 137 10.711 -0.590 -5.132 1.00 0.00 H new ATOM 0 HG CYS A 137 12.187 -0.038 -7.224 1.00 0.00 H new ATOM 938 N GLU A 138 14.118 -0.770 -3.071 1.00 0.00 N ATOM 939 CA GLU A 138 15.548 -0.724 -2.791 1.00 0.00 C ATOM 940 C GLU A 138 16.352 -0.397 -4.049 1.00 0.00 C ATOM 941 O GLU A 138 17.534 -0.065 -3.964 1.00 0.00 O ATOM 942 CB GLU A 138 16.021 -2.049 -2.199 1.00 0.00 C ATOM 943 CG GLU A 138 15.941 -2.091 -0.684 1.00 0.00 C ATOM 944 CD GLU A 138 17.298 -1.954 -0.028 1.00 0.00 C ATOM 945 OE1 GLU A 138 18.241 -2.655 -0.455 1.00 0.00 O ATOM 946 OE2 GLU A 138 17.429 -1.148 0.914 1.00 0.00 O ATOM 0 H GLU A 138 13.741 -1.712 -3.173 1.00 0.00 H new ATOM 0 HA GLU A 138 15.716 0.071 -2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 138 15.418 -2.859 -2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 138 17.051 -2.230 -2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 138 15.290 -1.289 -0.335 1.00 0.00 H new ATOM 0 HG3 GLU A 138 15.484 -3.031 -0.373 1.00 0.00 H new ATOM 953 N HIS A 139 15.714 -0.495 -5.210 1.00 0.00 N ATOM 954 CA HIS A 139 16.390 -0.239 -6.482 1.00 0.00 C ATOM 955 C HIS A 139 16.678 1.250 -6.618 1.00 0.00 C ATOM 956 O HIS A 139 17.792 1.658 -6.951 1.00 0.00 O ATOM 957 CB HIS A 139 15.532 -0.730 -7.654 1.00 0.00 C ATOM 958 CG HIS A 139 16.101 -0.430 -9.012 1.00 0.00 C ATOM 959 ND1 HIS A 139 17.333 -0.903 -9.399 1.00 0.00 N ATOM 960 CD2 HIS A 139 15.558 0.276 -10.034 1.00 0.00 C ATOM 961 CE1 HIS A 139 17.508 -0.473 -10.639 1.00 0.00 C ATOM 962 NE2 HIS A 139 16.460 0.243 -11.067 1.00 0.00 N ATOM 0 H HIS A 139 14.730 -0.750 -5.299 1.00 0.00 H new ATOM 0 HA HIS A 139 17.333 -0.786 -6.500 1.00 0.00 H new ATOM 0 HB2 HIS A 139 15.395 -1.807 -7.561 1.00 0.00 H new ATOM 0 HB3 HIS A 139 14.544 -0.276 -7.580 1.00 0.00 H new ATOM 0 HD2 HIS A 139 14.598 0.770 -10.035 1.00 0.00 H new ATOM 0 HE1 HIS A 139 18.388 -0.675 -11.232 1.00 0.00 H new ATOM 0 HE2 HIS A 139 16.353 0.679 -11.983 1.00 0.00 H new ATOM 970 N ASP A 140 15.670 2.057 -6.337 1.00 0.00 N ATOM 971 CA ASP A 140 15.831 3.502 -6.329 1.00 0.00 C ATOM 972 C ASP A 140 15.880 4.002 -4.891 1.00 0.00 C ATOM 973 O ASP A 140 15.500 5.135 -4.603 1.00 0.00 O ATOM 974 CB ASP A 140 14.715 4.197 -7.128 1.00 0.00 C ATOM 975 CG ASP A 140 13.341 3.577 -6.933 1.00 0.00 C ATOM 976 OD1 ASP A 140 12.683 3.910 -5.924 1.00 0.00 O ATOM 977 OD2 ASP A 140 12.906 2.798 -7.816 1.00 0.00 O ATOM 0 H ASP A 140 14.729 1.736 -6.111 1.00 0.00 H new ATOM 0 HA ASP A 140 16.772 3.752 -6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 140 14.674 5.247 -6.838 1.00 0.00 H new ATOM 0 HB3 ASP A 140 14.969 4.169 -8.188 1.00 0.00 H new ATOM 982 N ARG A 141 16.389 3.114 -4.024 1.00 0.00 N ATOM 983 CA ARG A 141 16.568 3.327 -2.577 1.00 0.00 C ATOM 984 C ARG A 141 16.646 4.798 -2.173 1.00 0.00 C ATOM 985 O ARG A 141 17.702 5.426 -2.285 1.00 0.00 O ATOM 986 CB ARG A 141 17.848 2.621 -2.144 1.00 0.00 C ATOM 987 CG ARG A 141 17.908 2.281 -0.667 1.00 0.00 C ATOM 988 CD ARG A 141 18.915 1.176 -0.393 1.00 0.00 C ATOM 989 NE ARG A 141 20.184 1.382 -1.103 1.00 0.00 N ATOM 990 CZ ARG A 141 20.699 0.515 -1.976 1.00 0.00 C ATOM 991 NH1 ARG A 141 20.084 -0.638 -2.212 1.00 0.00 N ATOM 992 NH2 ARG A 141 21.843 0.790 -2.597 1.00 0.00 N ATOM 0 H ARG A 141 16.700 2.190 -4.322 1.00 0.00 H new ATOM 0 HA ARG A 141 15.687 2.920 -2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 141 17.954 1.702 -2.720 1.00 0.00 H new ATOM 0 HB3 ARG A 141 18.700 3.254 -2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 141 18.178 3.171 -0.098 1.00 0.00 H new ATOM 0 HG3 ARG A 141 16.922 1.970 -0.323 1.00 0.00 H new ATOM 0 HD2 ARG A 141 19.107 1.121 0.679 1.00 0.00 H new ATOM 0 HD3 ARG A 141 18.488 0.218 -0.690 1.00 0.00 H new ATOM 0 HE ARG A 141 20.703 2.240 -0.917 1.00 0.00 H new ATOM 0 HH11 ARG A 141 19.216 -0.862 -1.725 1.00 0.00 H new ATOM 0 HH12 ARG A 141 20.480 -1.300 -2.880 1.00 0.00 H new ATOM 0 HH21 ARG A 141 22.329 1.666 -2.406 1.00 0.00 H new ATOM 0 HH22 ARG A 141 22.234 0.125 -3.264 1.00 0.00 H new ATOM 1006 N PRO A 142 15.532 5.355 -1.689 1.00 0.00 N ATOM 1007 CA PRO A 142 15.449 6.742 -1.266 1.00 0.00 C ATOM 1008 C PRO A 142 15.613 6.917 0.248 1.00 0.00 C ATOM 1009 O PRO A 142 14.650 7.200 0.960 1.00 0.00 O ATOM 1010 CB PRO A 142 14.032 7.098 -1.693 1.00 0.00 C ATOM 1011 CG PRO A 142 13.248 5.844 -1.464 1.00 0.00 C ATOM 1012 CD PRO A 142 14.225 4.688 -1.552 1.00 0.00 C ATOM 0 HA PRO A 142 16.235 7.365 -1.693 1.00 0.00 H new ATOM 0 HB2 PRO A 142 13.636 7.927 -1.106 1.00 0.00 H new ATOM 0 HB3 PRO A 142 13.997 7.403 -2.739 1.00 0.00 H new ATOM 0 HG2 PRO A 142 12.763 5.865 -0.488 1.00 0.00 H new ATOM 0 HG3 PRO A 142 12.460 5.740 -2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 142 14.186 4.060 -0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 142 14.011 4.045 -2.406 1.00 0.00 H new ATOM 1020 N THR A 143 16.830 6.758 0.741 1.00 0.00 N ATOM 1021 CA THR A 143 17.092 6.903 2.167 1.00 0.00 C ATOM 1022 C THR A 143 17.935 8.147 2.452 1.00 0.00 C ATOM 1023 O THR A 143 18.444 8.776 1.521 1.00 0.00 O ATOM 1024 CB THR A 143 17.810 5.657 2.717 1.00 0.00 C ATOM 1025 OG1 THR A 143 17.854 4.634 1.709 1.00 0.00 O ATOM 1026 CG2 THR A 143 17.101 5.125 3.950 1.00 0.00 C ATOM 0 H THR A 143 17.650 6.529 0.179 1.00 0.00 H new ATOM 0 HA THR A 143 16.130 7.013 2.667 1.00 0.00 H new ATOM 0 HB THR A 143 18.825 5.942 2.995 1.00 0.00 H new ATOM 0 HG1 THR A 143 18.764 4.276 1.646 1.00 0.00 H new ATOM 0 HG21 THR A 143 17.626 4.245 4.321 1.00 0.00 H new ATOM 0 HG22 THR A 143 17.090 5.893 4.723 1.00 0.00 H new ATOM 0 HG23 THR A 143 16.077 4.855 3.693 1.00 0.00 H new ATOM 1034 N ALA A 144 18.062 8.495 3.743 1.00 0.00 N ATOM 1035 CA ALA A 144 18.853 9.646 4.198 1.00 0.00 C ATOM 1036 C ALA A 144 18.246 10.961 3.711 1.00 0.00 C ATOM 1037 O ALA A 144 17.480 11.608 4.424 1.00 0.00 O ATOM 1038 CB ALA A 144 20.311 9.521 3.760 1.00 0.00 C ATOM 0 H ALA A 144 17.616 7.982 4.503 1.00 0.00 H new ATOM 0 HA ALA A 144 18.831 9.652 5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 144 20.872 10.387 4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 144 20.742 8.614 4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 144 20.361 9.473 2.672 1.00 0.00 H new ATOM 1044 N LEU A 145 18.581 11.341 2.488 1.00 0.00 N ATOM 1045 CA LEU A 145 18.014 12.528 1.868 1.00 0.00 C ATOM 1046 C LEU A 145 16.790 12.136 1.051 1.00 0.00 C ATOM 1047 O LEU A 145 16.361 12.869 0.160 1.00 0.00 O ATOM 1048 CB LEU A 145 19.053 13.197 0.965 1.00 0.00 C ATOM 1049 CG LEU A 145 19.194 14.710 1.139 1.00 0.00 C ATOM 1050 CD1 LEU A 145 20.662 15.099 1.221 1.00 0.00 C ATOM 1051 CD2 LEU A 145 18.510 15.441 -0.007 1.00 0.00 C ATOM 0 H LEU A 145 19.248 10.840 1.901 1.00 0.00 H new ATOM 0 HA LEU A 145 17.720 13.234 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 145 20.023 12.735 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 145 18.795 12.990 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 145 18.709 15.000 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 145 20.746 16.179 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 145 21.124 14.599 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 145 21.170 14.798 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 145 18.619 16.517 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 145 18.969 15.148 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 145 17.451 15.183 -0.023 1.00 0.00 H new ATOM 1063 N ILE A 146 16.230 10.973 1.385 1.00 0.00 N ATOM 1064 CA ILE A 146 15.165 10.357 0.608 1.00 0.00 C ATOM 1065 C ILE A 146 15.598 10.232 -0.854 1.00 0.00 C ATOM 1066 O ILE A 146 14.817 10.453 -1.782 1.00 0.00 O ATOM 1067 CB ILE A 146 13.842 11.136 0.713 1.00 0.00 C ATOM 1068 CG1 ILE A 146 13.636 11.666 2.139 1.00 0.00 C ATOM 1069 CG2 ILE A 146 12.679 10.239 0.304 1.00 0.00 C ATOM 1070 CD1 ILE A 146 12.493 12.651 2.258 1.00 0.00 C ATOM 0 H ILE A 146 16.506 10.434 2.205 1.00 0.00 H new ATOM 0 HA ILE A 146 14.983 9.365 1.022 1.00 0.00 H new ATOM 0 HB ILE A 146 13.885 11.990 0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 146 13.451 10.825 2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 146 14.555 12.146 2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 146 11.745 10.796 0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 146 12.820 9.907 -0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 146 12.639 9.372 0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 146 12.406 12.984 3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 146 12.685 13.510 1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 146 11.564 12.169 1.952 1.00 0.00 H new ATOM 1146 N GLY A 207 17.626 -1.486 3.593 1.00 0.00 N ATOM 1147 CA GLY A 207 16.907 -2.675 4.003 1.00 0.00 C ATOM 1148 C GLY A 207 15.499 -2.414 4.504 1.00 0.00 C ATOM 1149 O GLY A 207 15.301 -1.842 5.578 1.00 0.00 O ATOM 0 HA2 GLY A 207 16.858 -3.364 3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 207 17.473 -3.174 4.790 1.00 0.00 H new ATOM 1153 N SER A 208 14.519 -2.837 3.718 1.00 0.00 N ATOM 1154 CA SER A 208 13.124 -2.819 4.126 1.00 0.00 C ATOM 1155 C SER A 208 12.360 -3.860 3.307 1.00 0.00 C ATOM 1156 O SER A 208 12.610 -4.010 2.112 1.00 0.00 O ATOM 1157 CB SER A 208 12.516 -1.421 3.943 1.00 0.00 C ATOM 1158 OG SER A 208 13.163 -0.463 4.771 1.00 0.00 O ATOM 0 H SER A 208 14.671 -3.203 2.778 1.00 0.00 H new ATOM 0 HA SER A 208 13.051 -3.065 5.185 1.00 0.00 H new ATOM 0 HB2 SER A 208 12.601 -1.119 2.899 1.00 0.00 H new ATOM 0 HB3 SER A 208 11.453 -1.451 4.180 1.00 0.00 H new ATOM 0 HG SER A 208 13.779 -0.920 5.380 1.00 0.00 H new ATOM 1164 N ILE A 404 11.466 -4.599 3.955 1.00 0.00 N ATOM 1165 CA ILE A 404 10.751 -5.699 3.303 1.00 0.00 C ATOM 1166 C ILE A 404 9.248 -5.439 3.308 1.00 0.00 C ATOM 1167 O ILE A 404 8.695 -4.988 4.310 1.00 0.00 O ATOM 1168 CB ILE A 404 11.048 -7.045 4.011 1.00 0.00 C ATOM 1169 CG1 ILE A 404 12.550 -7.359 3.957 1.00 0.00 C ATOM 1170 CG2 ILE A 404 10.244 -8.179 3.393 1.00 0.00 C ATOM 1171 CD1 ILE A 404 13.092 -7.549 2.554 1.00 0.00 C ATOM 0 H ILE A 404 11.216 -4.458 4.934 1.00 0.00 H new ATOM 0 HA ILE A 404 11.099 -5.759 2.272 1.00 0.00 H new ATOM 0 HB ILE A 404 10.748 -6.951 5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 404 13.097 -6.549 4.440 1.00 0.00 H new ATOM 0 HG13 ILE A 404 12.742 -8.263 4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 404 10.473 -9.111 3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 404 9.180 -7.964 3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 404 10.503 -8.276 2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 404 14.159 -7.767 2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 404 12.574 -8.378 2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 404 12.934 -6.638 1.976 1.00 0.00 H new ATOM 1183 N ALA A 405 8.603 -5.714 2.179 1.00 0.00 N ATOM 1184 CA ALA A 405 7.170 -5.493 2.031 1.00 0.00 C ATOM 1185 C ALA A 405 6.371 -6.562 2.765 1.00 0.00 C ATOM 1186 O ALA A 405 6.683 -7.753 2.672 1.00 0.00 O ATOM 1187 CB ALA A 405 6.786 -5.476 0.559 1.00 0.00 C ATOM 0 H ALA A 405 9.055 -6.093 1.347 1.00 0.00 H new ATOM 0 HA ALA A 405 6.933 -4.525 2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 405 5.713 -5.310 0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 405 7.323 -4.674 0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 405 7.047 -6.432 0.104 1.00 0.00 H new ATOM 1193 N PRO A 406 5.341 -6.141 3.514 1.00 0.00 N ATOM 1194 CA PRO A 406 4.449 -7.047 4.246 1.00 0.00 C ATOM 1195 C PRO A 406 3.541 -7.851 3.315 1.00 0.00 C ATOM 1196 O PRO A 406 3.609 -7.717 2.091 1.00 0.00 O ATOM 1197 CB PRO A 406 3.605 -6.107 5.124 1.00 0.00 C ATOM 1198 CG PRO A 406 4.286 -4.781 5.059 1.00 0.00 C ATOM 1199 CD PRO A 406 4.970 -4.740 3.724 1.00 0.00 C ATOM 0 HA PRO A 406 5.013 -7.788 4.813 1.00 0.00 H new ATOM 0 HB2 PRO A 406 2.581 -6.041 4.756 1.00 0.00 H new ATOM 0 HB3 PRO A 406 3.552 -6.471 6.150 1.00 0.00 H new ATOM 0 HG2 PRO A 406 3.568 -3.967 5.156 1.00 0.00 H new ATOM 0 HG3 PRO A 406 5.005 -4.670 5.871 1.00 0.00 H new ATOM 0 HD2 PRO A 406 4.307 -4.374 2.940 1.00 0.00 H new ATOM 0 HD3 PRO A 406 5.842 -4.087 3.735 1.00 0.00 H new ATOM 1207 N PHE A 407 2.684 -8.675 3.902 1.00 0.00 N ATOM 1208 CA PHE A 407 1.804 -9.544 3.134 1.00 0.00 C ATOM 1209 C PHE A 407 0.408 -8.936 2.991 1.00 0.00 C ATOM 1210 O PHE A 407 0.014 -8.065 3.771 1.00 0.00 O ATOM 1211 CB PHE A 407 1.695 -10.911 3.825 1.00 0.00 C ATOM 1212 CG PHE A 407 2.643 -11.954 3.298 1.00 0.00 C ATOM 1213 CD1 PHE A 407 3.936 -12.053 3.791 1.00 0.00 C ATOM 1214 CD2 PHE A 407 2.237 -12.842 2.316 1.00 0.00 C ATOM 1215 CE1 PHE A 407 4.804 -13.013 3.312 1.00 0.00 C ATOM 1216 CE2 PHE A 407 3.102 -13.806 1.830 1.00 0.00 C ATOM 1217 CZ PHE A 407 4.388 -13.892 2.331 1.00 0.00 C ATOM 0 H PHE A 407 2.580 -8.760 4.913 1.00 0.00 H new ATOM 0 HA PHE A 407 2.231 -9.661 2.138 1.00 0.00 H new ATOM 0 HB2 PHE A 407 1.876 -10.780 4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 407 0.674 -11.278 3.717 1.00 0.00 H new ATOM 0 HD1 PHE A 407 4.267 -11.370 4.559 1.00 0.00 H new ATOM 0 HD2 PHE A 407 1.232 -12.781 1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 407 5.808 -13.077 3.704 1.00 0.00 H new ATOM 0 HE2 PHE A 407 2.774 -14.490 1.061 1.00 0.00 H new ATOM 0 HZ PHE A 407 5.066 -14.645 1.956 1.00 0.00 H new ATOM 1227 N PRO A 408 -0.349 -9.369 1.967 1.00 0.00 N ATOM 1228 CA PRO A 408 -1.745 -8.991 1.806 1.00 0.00 C ATOM 1229 C PRO A 408 -2.682 -9.929 2.557 1.00 0.00 C ATOM 1230 O PRO A 408 -2.694 -11.140 2.327 1.00 0.00 O ATOM 1231 CB PRO A 408 -1.959 -9.108 0.302 1.00 0.00 C ATOM 1232 CG PRO A 408 -1.031 -10.192 -0.134 1.00 0.00 C ATOM 1233 CD PRO A 408 0.107 -10.232 0.861 1.00 0.00 C ATOM 0 HA PRO A 408 -1.957 -7.999 2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -2.994 -9.356 0.068 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -1.735 -8.169 -0.203 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -1.548 -11.151 -0.166 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -0.657 -9.997 -1.139 1.00 0.00 H new ATOM 0 HD2 PRO A 408 0.301 -11.249 1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 408 1.033 -9.861 0.422 1.00 0.00 H new ATOM 1241 N GLU A 409 -3.449 -9.359 3.468 1.00 0.00 N ATOM 1242 CA GLU A 409 -4.427 -10.112 4.241 1.00 0.00 C ATOM 1243 C GLU A 409 -5.714 -9.302 4.351 1.00 0.00 C ATOM 1244 O GLU A 409 -5.786 -8.184 3.841 1.00 0.00 O ATOM 1245 CB GLU A 409 -3.898 -10.455 5.644 1.00 0.00 C ATOM 1246 CG GLU A 409 -2.388 -10.639 5.729 1.00 0.00 C ATOM 1247 CD GLU A 409 -1.763 -9.756 6.789 1.00 0.00 C ATOM 1248 OE1 GLU A 409 -2.291 -9.714 7.918 1.00 0.00 O ATOM 1249 OE2 GLU A 409 -0.767 -9.067 6.491 1.00 0.00 O ATOM 0 H GLU A 409 -3.414 -8.365 3.694 1.00 0.00 H new ATOM 0 HA GLU A 409 -4.622 -11.052 3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -4.193 -9.663 6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -4.381 -11.370 5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -2.163 -11.683 5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -1.941 -10.413 4.761 1.00 0.00 H new ATOM 1256 N ALA A 410 -6.729 -9.863 4.995 1.00 0.00 N ATOM 1257 CA ALA A 410 -8.002 -9.166 5.169 1.00 0.00 C ATOM 1258 C ALA A 410 -7.832 -7.888 5.989 1.00 0.00 C ATOM 1259 O ALA A 410 -6.955 -7.797 6.854 1.00 0.00 O ATOM 1260 CB ALA A 410 -9.022 -10.081 5.830 1.00 0.00 C ATOM 0 H ALA A 410 -6.699 -10.796 5.406 1.00 0.00 H new ATOM 0 HA ALA A 410 -8.364 -8.885 4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 410 -9.964 -9.547 5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -9.181 -10.960 5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 410 -8.652 -10.393 6.807 1.00 0.00 H new ATOM 1266 N ALA A 411 -8.676 -6.905 5.709 1.00 0.00 N ATOM 1267 CA ALA A 411 -8.641 -5.635 6.419 1.00 0.00 C ATOM 1268 C ALA A 411 -10.057 -5.180 6.777 1.00 0.00 C ATOM 1269 O ALA A 411 -10.925 -6.006 7.071 1.00 0.00 O ATOM 1270 CB ALA A 411 -7.929 -4.576 5.583 1.00 0.00 C ATOM 0 H ALA A 411 -9.398 -6.964 4.990 1.00 0.00 H new ATOM 0 HA ALA A 411 -8.083 -5.772 7.345 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -7.912 -3.633 6.129 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.907 -4.898 5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -8.459 -4.440 4.640 1.00 0.00 H new ATOM 1276 N LEU A 412 -10.282 -3.870 6.748 1.00 0.00 N ATOM 1277 CA LEU A 412 -11.588 -3.300 7.058 1.00 0.00 C ATOM 1278 C LEU A 412 -12.574 -3.561 5.924 1.00 0.00 C ATOM 1279 O LEU A 412 -12.284 -3.271 4.765 1.00 0.00 O ATOM 1280 CB LEU A 412 -11.460 -1.799 7.313 1.00 0.00 C ATOM 1281 CG LEU A 412 -12.435 -1.229 8.343 1.00 0.00 C ATOM 1282 CD1 LEU A 412 -11.981 -1.570 9.754 1.00 0.00 C ATOM 1283 CD2 LEU A 412 -12.562 0.276 8.172 1.00 0.00 C ATOM 0 H LEU A 412 -9.570 -3.179 6.511 1.00 0.00 H new ATOM 0 HA LEU A 412 -11.968 -3.780 7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -10.443 -1.588 7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -11.604 -1.273 6.369 1.00 0.00 H new ATOM 0 HG LEU A 412 -13.414 -1.680 8.181 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -12.687 -1.156 10.474 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -11.937 -2.653 9.870 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -10.993 -1.146 9.931 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -13.259 0.669 8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -11.586 0.742 8.310 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -12.932 0.499 7.171 1.00 0.00 H new ATOM 1295 N PRO A 413 -13.749 -4.115 6.253 1.00 0.00 N ATOM 1296 CA PRO A 413 -14.757 -4.501 5.262 1.00 0.00 C ATOM 1297 C PRO A 413 -15.472 -3.310 4.616 1.00 0.00 C ATOM 1298 O PRO A 413 -15.360 -2.167 5.069 1.00 0.00 O ATOM 1299 CB PRO A 413 -15.763 -5.340 6.070 1.00 0.00 C ATOM 1300 CG PRO A 413 -15.122 -5.575 7.399 1.00 0.00 C ATOM 1301 CD PRO A 413 -14.189 -4.423 7.616 1.00 0.00 C ATOM 0 HA PRO A 413 -14.295 -5.031 4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 413 -16.711 -4.814 6.181 1.00 0.00 H new ATOM 0 HB3 PRO A 413 -15.978 -6.283 5.568 1.00 0.00 H new ATOM 0 HG2 PRO A 413 -15.870 -5.625 8.190 1.00 0.00 H new ATOM 0 HG3 PRO A 413 -14.582 -6.522 7.410 1.00 0.00 H new ATOM 0 HD2 PRO A 413 -14.691 -3.575 8.082 1.00 0.00 H new ATOM 0 HD3 PRO A 413 -13.353 -4.693 8.262 1.00 0.00 H new ATOM 1309 N THR A 414 -16.220 -3.605 3.560 1.00 0.00 N ATOM 1310 CA THR A 414 -17.000 -2.605 2.852 1.00 0.00 C ATOM 1311 C THR A 414 -18.422 -2.537 3.411 1.00 0.00 C ATOM 1312 O THR A 414 -19.058 -3.571 3.616 1.00 0.00 O ATOM 1313 CB THR A 414 -17.055 -2.937 1.347 1.00 0.00 C ATOM 1314 OG1 THR A 414 -15.734 -2.911 0.794 1.00 0.00 O ATOM 1315 CG2 THR A 414 -17.941 -1.958 0.591 1.00 0.00 C ATOM 0 H THR A 414 -16.301 -4.545 3.172 1.00 0.00 H new ATOM 0 HA THR A 414 -16.518 -1.637 2.990 1.00 0.00 H new ATOM 0 HB THR A 414 -17.482 -3.934 1.241 1.00 0.00 H new ATOM 0 HG1 THR A 414 -15.105 -3.309 1.431 1.00 0.00 H new ATOM 0 HG21 THR A 414 -17.956 -2.223 -0.466 1.00 0.00 H new ATOM 0 HG22 THR A 414 -18.954 -2.001 0.990 1.00 0.00 H new ATOM 0 HG23 THR A 414 -17.548 -0.948 0.707 1.00 0.00 H new ATOM 1323 N SER A 415 -18.903 -1.316 3.666 1.00 0.00 N ATOM 1324 CA SER A 415 -20.249 -1.094 4.194 1.00 0.00 C ATOM 1325 C SER A 415 -20.434 -1.782 5.551 1.00 0.00 C ATOM 1326 O SER A 415 -19.953 -1.287 6.573 1.00 0.00 O ATOM 1327 CB SER A 415 -21.307 -1.585 3.200 1.00 0.00 C ATOM 1328 OG SER A 415 -21.237 -0.867 1.977 1.00 0.00 O ATOM 0 H SER A 415 -18.372 -0.459 3.512 1.00 0.00 H new ATOM 0 HA SER A 415 -20.376 -0.021 4.339 1.00 0.00 H new ATOM 0 HB2 SER A 415 -21.164 -2.649 3.009 1.00 0.00 H new ATOM 0 HB3 SER A 415 -22.300 -1.470 3.636 1.00 0.00 H new ATOM 0 HG SER A 415 -20.435 -0.304 1.973 1.00 0.00 H new