USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 467 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 135 HIS : no HD1:sc= -0.366 K(o=-0.43,f=-4.2!) USER MOD Set 1.2: A 159 ASN : amide:sc= -0.0643 K(o=-0.43,f=-1.7) USER MOD Set 2.1: A 139 SER OG : rot -153:sc= 1.84 USER MOD Set 2.2: A 142 SER OG : rot -127:sc= 1.49 USER MOD Set 2.3: A 151 THR OG1 : rot 85:sc= 0.446 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 168:sc= -0.0355 (180deg=-0.258) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 130:sc= -0.781 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -2.34! K(o=-2.3!,f=-0.25) USER MOD Single : A 110 LYS NZ :NH3+ -146:sc= -3.92! (180deg=-6.74!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot -9:sc= 0.841 USER MOD Single : A 146 GLN : amide:sc= -2.01 K(o=-2,f=-0.39) USER MOD Single : A 148 GLN : amide:sc= -2.24! C(o=-2.2!,f=-2.2!) USER MOD Single : A 150 SER OG : rot -170:sc= -0.105 USER MOD Single : A 153 LYS NZ :NH3+ -134:sc= -3.77! (180deg=-7.7!) USER MOD Single : A 155 HIS : no HD1:sc= -0.421 K(o=-0.42,f=-1.1) USER MOD Single : A 157 GLN : amide:sc= -3.01! K(o=-3!,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 97 18.057 1.928 -5.540 1.00 0.00 N ATOM 80 CA ARG A 97 17.199 0.842 -6.008 1.00 0.00 C ATOM 81 C ARG A 97 15.880 0.817 -5.240 1.00 0.00 C ATOM 82 O ARG A 97 15.467 -0.226 -4.732 1.00 0.00 O ATOM 83 CB ARG A 97 17.918 -0.500 -5.859 1.00 0.00 C ATOM 84 CG ARG A 97 19.248 -0.562 -6.592 1.00 0.00 C ATOM 85 CD ARG A 97 19.918 -1.916 -6.418 1.00 0.00 C ATOM 86 NE ARG A 97 20.141 -2.238 -5.011 1.00 0.00 N ATOM 87 CZ ARG A 97 20.726 -3.356 -4.594 1.00 0.00 C ATOM 88 NH1 ARG A 97 21.158 -4.251 -5.472 1.00 0.00 N ATOM 89 NH2 ARG A 97 20.881 -3.581 -3.296 1.00 0.00 N ATOM 0 HA ARG A 97 16.978 1.014 -7.061 1.00 0.00 H new ATOM 0 HB2 ARG A 97 18.087 -0.697 -4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 97 17.270 -1.293 -6.232 1.00 0.00 H new ATOM 0 HG2 ARG A 97 19.089 -0.367 -7.653 1.00 0.00 H new ATOM 0 HG3 ARG A 97 19.907 0.222 -6.219 1.00 0.00 H new ATOM 0 HD2 ARG A 97 19.298 -2.689 -6.873 1.00 0.00 H new ATOM 0 HD3 ARG A 97 20.871 -1.920 -6.947 1.00 0.00 H new ATOM 0 HE ARG A 97 19.830 -1.567 -4.309 1.00 0.00 H new ATOM 0 HH11 ARG A 97 21.042 -4.082 -6.471 1.00 0.00 H new ATOM 0 HH12 ARG A 97 21.607 -5.108 -5.148 1.00 0.00 H new ATOM 0 HH21 ARG A 97 20.551 -2.896 -2.617 1.00 0.00 H new ATOM 0 HH22 ARG A 97 21.330 -4.440 -2.977 1.00 0.00 H new ATOM 103 N ILE A 98 15.228 1.973 -5.150 1.00 0.00 N ATOM 104 CA ILE A 98 13.962 2.089 -4.436 1.00 0.00 C ATOM 105 C ILE A 98 12.937 1.081 -4.948 1.00 0.00 C ATOM 106 O ILE A 98 12.862 0.807 -6.147 1.00 0.00 O ATOM 107 CB ILE A 98 13.364 3.509 -4.546 1.00 0.00 C ATOM 108 CG1 ILE A 98 12.896 3.806 -5.979 1.00 0.00 C ATOM 109 CG2 ILE A 98 14.379 4.547 -4.089 1.00 0.00 C ATOM 110 CD1 ILE A 98 14.006 3.824 -7.009 1.00 0.00 C ATOM 0 H ILE A 98 15.558 2.845 -5.564 1.00 0.00 H new ATOM 0 HA ILE A 98 14.184 1.880 -3.390 1.00 0.00 H new ATOM 0 HB ILE A 98 12.492 3.560 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 98 12.159 3.057 -6.270 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.391 4.772 -5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 98 13.944 5.543 -4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 98 14.653 4.356 -3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.269 4.487 -4.716 1.00 0.00 H new ATOM 0 HD11 ILE A 98 13.587 4.041 -7.992 1.00 0.00 H new ATOM 0 HD12 ILE A 98 14.733 4.593 -6.747 1.00 0.00 H new ATOM 0 HD13 ILE A 98 14.498 2.852 -7.031 1.00 0.00 H new ATOM 122 N CYS A 99 12.147 0.538 -4.028 1.00 0.00 N ATOM 123 CA CYS A 99 11.117 -0.435 -4.372 1.00 0.00 C ATOM 124 C CYS A 99 10.157 0.138 -5.412 1.00 0.00 C ATOM 125 O CYS A 99 10.004 1.355 -5.520 1.00 0.00 O ATOM 126 CB CYS A 99 10.352 -0.861 -3.118 1.00 0.00 C ATOM 127 SG CYS A 99 11.370 -1.740 -1.887 1.00 0.00 S ATOM 0 H CYS A 99 12.201 0.757 -3.033 1.00 0.00 H new ATOM 0 HA CYS A 99 11.602 -1.312 -4.802 1.00 0.00 H new ATOM 0 HB2 CYS A 99 9.920 0.024 -2.651 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.522 -1.503 -3.412 1.00 0.00 H new ATOM 132 N SER A 100 9.528 -0.746 -6.184 1.00 0.00 N ATOM 133 CA SER A 100 8.593 -0.334 -7.230 1.00 0.00 C ATOM 134 C SER A 100 7.627 0.736 -6.727 1.00 0.00 C ATOM 135 O SER A 100 6.972 0.565 -5.700 1.00 0.00 O ATOM 136 CB SER A 100 7.808 -1.544 -7.740 1.00 0.00 C ATOM 137 OG SER A 100 8.675 -2.528 -8.275 1.00 0.00 O ATOM 0 H SER A 100 9.649 -1.756 -6.105 1.00 0.00 H new ATOM 0 HA SER A 100 9.175 0.093 -8.047 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.226 -1.973 -6.925 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.099 -1.225 -8.504 1.00 0.00 H new ATOM 0 HG SER A 100 8.148 -3.291 -8.592 1.00 0.00 H new ATOM 143 N LYS A 101 7.546 1.839 -7.465 1.00 0.00 N ATOM 144 CA LYS A 101 6.666 2.946 -7.106 1.00 0.00 C ATOM 145 C LYS A 101 5.210 2.625 -7.435 1.00 0.00 C ATOM 146 O LYS A 101 4.313 3.417 -7.149 1.00 0.00 O ATOM 147 CB LYS A 101 7.099 4.219 -7.833 1.00 0.00 C ATOM 148 CG LYS A 101 7.090 4.086 -9.348 1.00 0.00 C ATOM 149 CD LYS A 101 7.602 5.348 -10.028 1.00 0.00 C ATOM 150 CE LYS A 101 9.045 5.642 -9.650 1.00 0.00 C ATOM 151 NZ LYS A 101 9.954 4.520 -10.013 1.00 0.00 N ATOM 0 H LYS A 101 8.082 1.990 -8.320 1.00 0.00 H new ATOM 0 HA LYS A 101 6.743 3.102 -6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.437 5.036 -7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.103 4.491 -7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.708 3.238 -9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.076 3.875 -9.689 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.524 5.236 -11.109 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.973 6.193 -9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.373 6.552 -10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.109 5.828 -8.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.942 4.833 -9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.789 3.718 -9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.766 4.224 -10.992 1.00 0.00 H new ATOM 165 N SER A 102 4.983 1.463 -8.040 1.00 0.00 N ATOM 166 CA SER A 102 3.635 1.042 -8.411 1.00 0.00 C ATOM 167 C SER A 102 2.711 1.035 -7.197 1.00 0.00 C ATOM 168 O SER A 102 1.554 1.449 -7.281 1.00 0.00 O ATOM 169 CB SER A 102 3.669 -0.349 -9.046 1.00 0.00 C ATOM 170 OG SER A 102 4.473 -0.359 -10.213 1.00 0.00 O ATOM 0 H SER A 102 5.715 0.796 -8.284 1.00 0.00 H new ATOM 0 HA SER A 102 3.247 1.757 -9.136 1.00 0.00 H new ATOM 0 HB2 SER A 102 4.057 -1.071 -8.327 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.656 -0.662 -9.296 1.00 0.00 H new ATOM 0 HG SER A 102 4.479 -1.260 -10.598 1.00 0.00 H new ATOM 176 N TYR A 103 3.231 0.561 -6.070 1.00 0.00 N ATOM 177 CA TYR A 103 2.459 0.493 -4.833 1.00 0.00 C ATOM 178 C TYR A 103 1.986 1.878 -4.401 1.00 0.00 C ATOM 179 O TYR A 103 0.902 2.023 -3.834 1.00 0.00 O ATOM 180 CB TYR A 103 3.291 -0.149 -3.719 1.00 0.00 C ATOM 181 CG TYR A 103 3.589 -1.616 -3.944 1.00 0.00 C ATOM 182 CD1 TYR A 103 4.116 -2.068 -5.148 1.00 0.00 C ATOM 183 CD2 TYR A 103 3.340 -2.553 -2.948 1.00 0.00 C ATOM 184 CE1 TYR A 103 4.385 -3.408 -5.353 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.607 -3.894 -3.145 1.00 0.00 C ATOM 186 CZ TYR A 103 4.130 -4.316 -4.349 1.00 0.00 C ATOM 187 OH TYR A 103 4.396 -5.651 -4.548 1.00 0.00 O ATOM 0 H TYR A 103 4.188 0.217 -5.987 1.00 0.00 H new ATOM 0 HA TYR A 103 1.580 -0.124 -5.021 1.00 0.00 H new ATOM 0 HB2 TYR A 103 4.232 0.392 -3.624 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.762 -0.037 -2.773 1.00 0.00 H new ATOM 0 HD1 TYR A 103 4.319 -1.359 -5.937 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.931 -2.227 -2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.793 -3.742 -6.296 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.407 -4.608 -2.360 1.00 0.00 H new ATOM 0 HH TYR A 103 4.922 -5.995 -3.796 1.00 0.00 H new ATOM 197 N LEU A 104 2.806 2.892 -4.667 1.00 0.00 N ATOM 198 CA LEU A 104 2.474 4.266 -4.303 1.00 0.00 C ATOM 199 C LEU A 104 1.090 4.650 -4.823 1.00 0.00 C ATOM 200 O LEU A 104 0.322 5.323 -4.133 1.00 0.00 O ATOM 201 CB LEU A 104 3.526 5.230 -4.856 1.00 0.00 C ATOM 202 CG LEU A 104 4.966 4.939 -4.425 1.00 0.00 C ATOM 203 CD1 LEU A 104 5.919 5.956 -5.033 1.00 0.00 C ATOM 204 CD2 LEU A 104 5.084 4.936 -2.908 1.00 0.00 C ATOM 0 H LEU A 104 3.707 2.787 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 104 2.464 4.335 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.478 5.209 -5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.268 6.242 -4.545 1.00 0.00 H new ATOM 0 HG LEU A 104 5.239 3.949 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.938 5.734 -4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.858 5.907 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.645 6.957 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.115 4.727 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.790 5.911 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.431 4.168 -2.494 1.00 0.00 H new ATOM 216 N THR A 105 0.778 4.214 -6.039 1.00 0.00 N ATOM 217 CA THR A 105 -0.514 4.507 -6.652 1.00 0.00 C ATOM 218 C THR A 105 -1.515 3.391 -6.367 1.00 0.00 C ATOM 219 O THR A 105 -1.181 2.210 -6.460 1.00 0.00 O ATOM 220 CB THR A 105 -0.382 4.689 -8.176 1.00 0.00 C ATOM 221 OG1 THR A 105 0.532 5.754 -8.466 1.00 0.00 O ATOM 222 CG2 THR A 105 -1.733 4.993 -8.806 1.00 0.00 C ATOM 0 H THR A 105 1.403 3.656 -6.621 1.00 0.00 H new ATOM 0 HA THR A 105 -0.874 5.438 -6.214 1.00 0.00 H new ATOM 0 HB THR A 105 -0.003 3.758 -8.597 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.611 5.862 -9.437 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.613 5.117 -9.882 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.419 4.169 -8.610 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.136 5.911 -8.378 1.00 0.00 H new ATOM 230 N LEU A 106 -2.743 3.768 -6.018 1.00 0.00 N ATOM 231 CA LEU A 106 -3.782 2.787 -5.721 1.00 0.00 C ATOM 232 C LEU A 106 -5.155 3.280 -6.170 1.00 0.00 C ATOM 233 O LEU A 106 -5.549 4.407 -5.873 1.00 0.00 O ATOM 234 CB LEU A 106 -3.806 2.476 -4.221 1.00 0.00 C ATOM 235 CG LEU A 106 -4.810 1.402 -3.792 1.00 0.00 C ATOM 236 CD1 LEU A 106 -4.666 0.152 -4.648 1.00 0.00 C ATOM 237 CD2 LEU A 106 -4.627 1.066 -2.322 1.00 0.00 C ATOM 0 H LEU A 106 -3.041 4.740 -5.934 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.548 1.877 -6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.808 2.160 -3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.029 3.395 -3.679 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.816 1.796 -3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.390 -0.596 -4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.847 0.404 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.658 -0.248 -4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.347 0.301 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.616 0.694 -2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.786 1.962 -1.721 1.00 0.00 H new ATOM 249 N GLU A 107 -5.880 2.421 -6.883 1.00 0.00 N ATOM 250 CA GLU A 107 -7.213 2.761 -7.368 1.00 0.00 C ATOM 251 C GLU A 107 -8.230 2.721 -6.233 1.00 0.00 C ATOM 252 O GLU A 107 -8.256 1.775 -5.445 1.00 0.00 O ATOM 253 CB GLU A 107 -7.636 1.799 -8.481 1.00 0.00 C ATOM 254 CG GLU A 107 -9.021 2.087 -9.040 1.00 0.00 C ATOM 255 CD GLU A 107 -9.424 1.117 -10.133 1.00 0.00 C ATOM 256 OE1 GLU A 107 -8.619 0.218 -10.459 1.00 0.00 O ATOM 257 OE2 GLU A 107 -10.545 1.255 -10.665 1.00 0.00 O ATOM 0 H GLU A 107 -5.566 1.485 -7.137 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.179 3.775 -7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.908 1.851 -9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.613 0.779 -8.097 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.751 2.041 -8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.045 3.103 -9.434 1.00 0.00 H new ATOM 264 N ASN A 108 -9.065 3.754 -6.155 1.00 0.00 N ATOM 265 CA ASN A 108 -10.085 3.841 -5.115 1.00 0.00 C ATOM 266 C ASN A 108 -9.464 3.652 -3.735 1.00 0.00 C ATOM 267 O ASN A 108 -10.070 3.059 -2.841 1.00 0.00 O ATOM 268 CB ASN A 108 -11.176 2.792 -5.349 1.00 0.00 C ATOM 269 CG ASN A 108 -11.896 2.974 -6.675 1.00 0.00 C ATOM 270 OD1 ASN A 108 -12.785 2.196 -7.017 1.00 0.00 O ATOM 271 ND2 ASN A 108 -11.519 4.003 -7.429 1.00 0.00 N ATOM 0 H ASN A 108 -9.055 4.543 -6.801 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.535 4.833 -5.160 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.730 1.798 -5.317 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -11.902 2.842 -4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -11.972 4.170 -8.328 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -10.777 4.625 -7.109 1.00 0.00 H new ATOM 278 N GLY A 109 -8.252 4.167 -3.570 1.00 0.00 N ATOM 279 CA GLY A 109 -7.563 4.050 -2.302 1.00 0.00 C ATOM 280 C GLY A 109 -6.337 4.929 -2.226 1.00 0.00 C ATOM 281 O GLY A 109 -5.646 5.144 -3.222 1.00 0.00 O ATOM 0 H GLY A 109 -7.734 4.664 -4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.246 4.315 -1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.272 3.011 -2.145 1.00 0.00 H new ATOM 285 N LYS A 110 -6.075 5.432 -1.033 1.00 0.00 N ATOM 286 CA LYS A 110 -4.931 6.300 -0.793 1.00 0.00 C ATOM 287 C LYS A 110 -3.796 5.534 -0.122 1.00 0.00 C ATOM 288 O LYS A 110 -4.029 4.691 0.744 1.00 0.00 O ATOM 289 CB LYS A 110 -5.350 7.495 0.064 1.00 0.00 C ATOM 290 CG LYS A 110 -6.082 7.104 1.338 1.00 0.00 C ATOM 291 CD LYS A 110 -6.540 8.323 2.130 1.00 0.00 C ATOM 292 CE LYS A 110 -7.628 9.104 1.402 1.00 0.00 C ATOM 293 NZ LYS A 110 -7.128 9.743 0.153 1.00 0.00 N ATOM 0 H LYS A 110 -6.644 5.253 -0.206 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.568 6.665 -1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.463 8.072 0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.991 8.149 -0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.946 6.490 1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.427 6.493 1.959 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.913 8.003 3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.687 8.976 2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.452 8.433 1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.026 9.872 2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -7.618 10.649 0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.105 9.912 0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.312 9.115 -0.656 1.00 0.00 H new ATOM 307 N VAL A 111 -2.568 5.830 -0.534 1.00 0.00 N ATOM 308 CA VAL A 111 -1.395 5.166 0.020 1.00 0.00 C ATOM 309 C VAL A 111 -0.607 6.118 0.920 1.00 0.00 C ATOM 310 O VAL A 111 -0.402 7.283 0.577 1.00 0.00 O ATOM 311 CB VAL A 111 -0.478 4.637 -1.100 1.00 0.00 C ATOM 312 CG1 VAL A 111 0.697 3.877 -0.519 1.00 0.00 C ATOM 313 CG2 VAL A 111 -1.264 3.753 -2.057 1.00 0.00 C ATOM 0 H VAL A 111 -2.360 6.526 -1.250 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.746 4.322 0.615 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.090 5.491 -1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.331 3.513 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.276 4.539 0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.331 3.032 0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.602 3.388 -2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.681 2.907 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.073 4.330 -2.504 1.00 0.00 H new ATOM 323 N PHE A 112 -0.181 5.617 2.078 1.00 0.00 N ATOM 324 CA PHE A 112 0.569 6.427 3.037 1.00 0.00 C ATOM 325 C PHE A 112 2.026 5.985 3.134 1.00 0.00 C ATOM 326 O PHE A 112 2.321 4.795 3.206 1.00 0.00 O ATOM 327 CB PHE A 112 -0.082 6.346 4.421 1.00 0.00 C ATOM 328 CG PHE A 112 -1.374 7.104 4.535 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.404 6.896 3.631 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.558 8.027 5.553 1.00 0.00 C ATOM 331 CE1 PHE A 112 -3.590 7.594 3.739 1.00 0.00 C ATOM 332 CE2 PHE A 112 -2.743 8.728 5.665 1.00 0.00 C ATOM 333 CZ PHE A 112 -3.761 8.512 4.757 1.00 0.00 C ATOM 0 H PHE A 112 -0.342 4.655 2.375 1.00 0.00 H new ATOM 0 HA PHE A 112 0.549 7.456 2.679 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.264 5.299 4.665 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.618 6.729 5.163 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -2.277 6.180 2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.766 8.200 6.267 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.384 7.422 3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.873 9.445 6.462 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.688 9.059 4.843 1.00 0.00 H new ATOM 343 N LEU A 113 2.932 6.959 3.154 1.00 0.00 N ATOM 344 CA LEU A 113 4.358 6.681 3.263 1.00 0.00 C ATOM 345 C LEU A 113 4.887 7.171 4.603 1.00 0.00 C ATOM 346 O LEU A 113 4.430 8.190 5.122 1.00 0.00 O ATOM 347 CB LEU A 113 5.127 7.346 2.119 1.00 0.00 C ATOM 348 CG LEU A 113 4.755 6.857 0.718 1.00 0.00 C ATOM 349 CD1 LEU A 113 5.555 7.606 -0.338 1.00 0.00 C ATOM 350 CD2 LEU A 113 4.982 5.358 0.596 1.00 0.00 C ATOM 0 H LEU A 113 2.701 7.951 3.096 1.00 0.00 H new ATOM 0 HA LEU A 113 4.504 5.603 3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.961 8.422 2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.193 7.180 2.274 1.00 0.00 H new ATOM 0 HG LEU A 113 3.696 7.057 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.278 7.245 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.342 8.673 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.620 7.437 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.712 5.030 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.032 5.133 0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.365 4.836 1.327 1.00 0.00 H new ATOM 362 N THR A 114 5.841 6.442 5.166 1.00 0.00 N ATOM 363 CA THR A 114 6.410 6.817 6.452 1.00 0.00 C ATOM 364 C THR A 114 7.775 6.172 6.678 1.00 0.00 C ATOM 365 O THR A 114 8.007 5.027 6.291 1.00 0.00 O ATOM 366 CB THR A 114 5.473 6.428 7.613 1.00 0.00 C ATOM 367 OG1 THR A 114 6.065 6.791 8.865 1.00 0.00 O ATOM 368 CG2 THR A 114 5.181 4.935 7.597 1.00 0.00 C ATOM 0 H THR A 114 6.234 5.595 4.756 1.00 0.00 H new ATOM 0 HA THR A 114 6.531 7.900 6.432 1.00 0.00 H new ATOM 0 HB THR A 114 4.534 6.967 7.487 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.462 6.542 9.596 1.00 0.00 H new ATOM 0 HG21 THR A 114 4.518 4.685 8.425 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.701 4.668 6.655 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.114 4.381 7.699 1.00 0.00 H new ATOM 376 N GLY A 115 8.672 6.922 7.312 1.00 0.00 N ATOM 377 CA GLY A 115 10.007 6.423 7.592 1.00 0.00 C ATOM 378 C GLY A 115 10.889 6.372 6.359 1.00 0.00 C ATOM 379 O GLY A 115 10.522 5.775 5.346 1.00 0.00 O ATOM 0 H GLY A 115 8.496 7.872 7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.477 7.059 8.343 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.933 5.424 8.021 1.00 0.00 H new ATOM 383 N GLY A 116 12.057 7.001 6.451 1.00 0.00 N ATOM 384 CA GLY A 116 12.988 7.020 5.338 1.00 0.00 C ATOM 385 C GLY A 116 13.870 8.254 5.346 1.00 0.00 C ATOM 386 O GLY A 116 14.313 8.701 6.405 1.00 0.00 O ATOM 0 H GLY A 116 12.376 7.500 7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 116 13.614 6.128 5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 116 12.432 6.980 4.401 1.00 0.00 H new ATOM 390 N ASP A 117 14.117 8.809 4.163 1.00 0.00 N ATOM 391 CA ASP A 117 14.940 10.004 4.026 1.00 0.00 C ATOM 392 C ASP A 117 14.912 10.481 2.580 1.00 0.00 C ATOM 393 O ASP A 117 15.311 9.747 1.679 1.00 0.00 O ATOM 394 CB ASP A 117 16.381 9.715 4.457 1.00 0.00 C ATOM 395 CG ASP A 117 17.267 10.946 4.407 1.00 0.00 C ATOM 396 OD1 ASP A 117 16.757 12.035 4.070 1.00 0.00 O ATOM 397 OD2 ASP A 117 18.472 10.820 4.710 1.00 0.00 O ATOM 0 H ASP A 117 13.756 8.446 3.281 1.00 0.00 H new ATOM 0 HA ASP A 117 14.538 10.785 4.671 1.00 0.00 H new ATOM 0 HB2 ASP A 117 16.379 9.315 5.471 1.00 0.00 H new ATOM 0 HB3 ASP A 117 16.801 8.944 3.811 1.00 0.00 H new ATOM 402 N LEU A 118 14.423 11.705 2.373 1.00 0.00 N ATOM 403 CA LEU A 118 14.312 12.289 1.034 1.00 0.00 C ATOM 404 C LEU A 118 15.389 11.750 0.096 1.00 0.00 C ATOM 405 O LEU A 118 16.577 11.810 0.411 1.00 0.00 O ATOM 406 CB LEU A 118 14.406 13.819 1.097 1.00 0.00 C ATOM 407 CG LEU A 118 13.236 14.533 1.788 1.00 0.00 C ATOM 408 CD1 LEU A 118 11.914 14.130 1.152 1.00 0.00 C ATOM 409 CD2 LEU A 118 13.221 14.240 3.281 1.00 0.00 C ATOM 0 H LEU A 118 14.095 12.315 3.121 1.00 0.00 H new ATOM 0 HA LEU A 118 13.336 12.005 0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 118 15.327 14.086 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 118 14.490 14.201 0.080 1.00 0.00 H new ATOM 0 HG LEU A 118 13.372 15.607 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 118 11.096 14.646 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 118 11.920 14.402 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 118 11.777 13.053 1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 118 12.382 14.758 3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 118 13.117 13.167 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 118 14.153 14.585 3.729 1.00 0.00 H new ATOM 421 N PRO A 119 14.995 11.210 -1.078 1.00 0.00 N ATOM 422 CA PRO A 119 13.586 11.109 -1.512 1.00 0.00 C ATOM 423 C PRO A 119 12.742 10.218 -0.599 1.00 0.00 C ATOM 424 O PRO A 119 11.516 10.336 -0.566 1.00 0.00 O ATOM 425 CB PRO A 119 13.677 10.490 -2.913 1.00 0.00 C ATOM 426 CG PRO A 119 15.091 10.693 -3.340 1.00 0.00 C ATOM 427 CD PRO A 119 15.908 10.650 -2.084 1.00 0.00 C ATOM 0 HA PRO A 119 13.097 12.083 -1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 119 13.420 9.431 -2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 119 12.984 10.973 -3.602 1.00 0.00 H new ATOM 0 HG2 PRO A 119 15.404 9.916 -4.037 1.00 0.00 H new ATOM 0 HG3 PRO A 119 15.211 11.648 -3.852 1.00 0.00 H new ATOM 0 HD2 PRO A 119 16.210 9.633 -1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 119 16.820 11.240 -2.175 1.00 0.00 H new ATOM 435 N ALA A 120 13.408 9.328 0.132 1.00 0.00 N ATOM 436 CA ALA A 120 12.743 8.406 1.047 1.00 0.00 C ATOM 437 C ALA A 120 11.929 7.359 0.300 1.00 0.00 C ATOM 438 O ALA A 120 11.120 7.677 -0.571 1.00 0.00 O ATOM 439 CB ALA A 120 11.865 9.157 2.032 1.00 0.00 C ATOM 0 H ALA A 120 14.423 9.226 0.107 1.00 0.00 H new ATOM 0 HA ALA A 120 13.523 7.886 1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.381 8.447 2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 120 12.478 9.846 2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 120 11.105 9.718 1.488 1.00 0.00 H new ATOM 445 N LEU A 121 12.165 6.105 0.666 1.00 0.00 N ATOM 446 CA LEU A 121 11.487 4.962 0.068 1.00 0.00 C ATOM 447 C LEU A 121 12.091 3.693 0.649 1.00 0.00 C ATOM 448 O LEU A 121 11.403 2.697 0.874 1.00 0.00 O ATOM 449 CB LEU A 121 11.638 4.982 -1.461 1.00 0.00 C ATOM 450 CG LEU A 121 10.668 4.087 -2.246 1.00 0.00 C ATOM 451 CD1 LEU A 121 10.974 2.615 -2.023 1.00 0.00 C ATOM 452 CD2 LEU A 121 9.226 4.400 -1.867 1.00 0.00 C ATOM 0 H LEU A 121 12.836 5.851 1.391 1.00 0.00 H new ATOM 0 HA LEU A 121 10.421 5.003 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 121 11.513 6.009 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 121 12.657 4.685 -1.709 1.00 0.00 H new ATOM 0 HG LEU A 121 10.801 4.298 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 121 10.271 2.007 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 121 11.990 2.400 -2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 121 10.881 2.381 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 121 8.553 3.756 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 121 9.084 4.225 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 121 9.008 5.443 -2.096 1.00 0.00 H new ATOM 464 N ASP A 122 13.394 3.761 0.903 1.00 0.00 N ATOM 465 CA ASP A 122 14.140 2.651 1.474 1.00 0.00 C ATOM 466 C ASP A 122 13.610 2.303 2.863 1.00 0.00 C ATOM 467 O ASP A 122 13.415 3.186 3.700 1.00 0.00 O ATOM 468 CB ASP A 122 15.619 3.027 1.560 1.00 0.00 C ATOM 469 CG ASP A 122 16.489 1.892 2.067 1.00 0.00 C ATOM 470 OD1 ASP A 122 15.950 0.793 2.321 1.00 0.00 O ATOM 471 OD2 ASP A 122 17.712 2.101 2.207 1.00 0.00 O ATOM 0 H ASP A 122 13.960 4.589 0.718 1.00 0.00 H new ATOM 0 HA ASP A 122 14.020 1.778 0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.969 3.333 0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.732 3.887 2.220 1.00 0.00 H new ATOM 476 N GLY A 123 13.381 1.015 3.100 1.00 0.00 N ATOM 477 CA GLY A 123 12.875 0.573 4.388 1.00 0.00 C ATOM 478 C GLY A 123 11.626 1.323 4.804 1.00 0.00 C ATOM 479 O GLY A 123 11.388 1.537 5.994 1.00 0.00 O ATOM 0 H GLY A 123 13.537 0.268 2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 123 12.657 -0.494 4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 123 13.647 0.709 5.145 1.00 0.00 H new ATOM 483 N ALA A 124 10.828 1.722 3.821 1.00 0.00 N ATOM 484 CA ALA A 124 9.595 2.453 4.082 1.00 0.00 C ATOM 485 C ALA A 124 8.493 1.519 4.567 1.00 0.00 C ATOM 486 O ALA A 124 8.340 0.410 4.059 1.00 0.00 O ATOM 487 CB ALA A 124 9.147 3.197 2.833 1.00 0.00 C ATOM 0 H ALA A 124 11.014 1.551 2.833 1.00 0.00 H new ATOM 0 HA ALA A 124 9.794 3.178 4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.225 3.738 3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.922 3.903 2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.973 2.484 2.027 1.00 0.00 H new ATOM 493 N ARG A 125 7.723 1.980 5.545 1.00 0.00 N ATOM 494 CA ARG A 125 6.626 1.193 6.095 1.00 0.00 C ATOM 495 C ARG A 125 5.297 1.723 5.567 1.00 0.00 C ATOM 496 O ARG A 125 4.465 2.225 6.325 1.00 0.00 O ATOM 497 CB ARG A 125 6.653 1.241 7.625 1.00 0.00 C ATOM 498 CG ARG A 125 5.645 0.314 8.285 1.00 0.00 C ATOM 499 CD ARG A 125 5.712 0.408 9.801 1.00 0.00 C ATOM 500 NE ARG A 125 4.789 -0.520 10.451 1.00 0.00 N ATOM 501 CZ ARG A 125 4.875 -1.844 10.347 1.00 0.00 C ATOM 502 NH1 ARG A 125 5.850 -2.396 9.638 1.00 0.00 N ATOM 503 NH2 ARG A 125 3.987 -2.616 10.957 1.00 0.00 N ATOM 0 H ARG A 125 7.839 2.898 5.975 1.00 0.00 H new ATOM 0 HA ARG A 125 6.740 0.155 5.783 1.00 0.00 H new ATOM 0 HB2 ARG A 125 7.653 0.980 7.970 1.00 0.00 H new ATOM 0 HB3 ARG A 125 6.460 2.263 7.951 1.00 0.00 H new ATOM 0 HG2 ARG A 125 4.640 0.568 7.948 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.836 -0.713 7.974 1.00 0.00 H new ATOM 0 HD2 ARG A 125 6.729 0.198 10.132 1.00 0.00 H new ATOM 0 HD3 ARG A 125 5.479 1.427 10.111 1.00 0.00 H new ATOM 0 HE ARG A 125 4.035 -0.130 11.017 1.00 0.00 H new ATOM 0 HH11 ARG A 125 6.537 -1.806 9.170 1.00 0.00 H new ATOM 0 HH12 ARG A 125 5.913 -3.411 9.561 1.00 0.00 H new ATOM 0 HH21 ARG A 125 3.237 -2.195 11.506 1.00 0.00 H new ATOM 0 HH22 ARG A 125 4.053 -3.631 10.877 1.00 0.00 H new ATOM 517 N VAL A 126 5.121 1.630 4.253 1.00 0.00 N ATOM 518 CA VAL A 126 3.914 2.118 3.598 1.00 0.00 C ATOM 519 C VAL A 126 2.659 1.451 4.154 1.00 0.00 C ATOM 520 O VAL A 126 2.656 0.258 4.454 1.00 0.00 O ATOM 521 CB VAL A 126 3.973 1.899 2.074 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.940 0.420 1.732 1.00 0.00 C ATOM 523 CG2 VAL A 126 2.827 2.618 1.390 1.00 0.00 C ATOM 0 H VAL A 126 5.804 1.218 3.618 1.00 0.00 H new ATOM 0 HA VAL A 126 3.862 3.187 3.803 1.00 0.00 H new ATOM 0 HB VAL A 126 4.915 2.312 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.983 0.296 0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 126 4.795 -0.078 2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 126 3.018 -0.021 2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 126 2.884 2.453 0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 126 1.879 2.233 1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.892 3.686 1.597 1.00 0.00 H new ATOM 533 N GLU A 127 1.594 2.236 4.283 1.00 0.00 N ATOM 534 CA GLU A 127 0.328 1.734 4.795 1.00 0.00 C ATOM 535 C GLU A 127 -0.801 1.995 3.803 1.00 0.00 C ATOM 536 O GLU A 127 -1.169 3.143 3.554 1.00 0.00 O ATOM 537 CB GLU A 127 0.003 2.390 6.138 1.00 0.00 C ATOM 538 CG GLU A 127 0.970 2.013 7.250 1.00 0.00 C ATOM 539 CD GLU A 127 0.622 2.662 8.575 1.00 0.00 C ATOM 540 OE1 GLU A 127 -0.376 3.413 8.627 1.00 0.00 O ATOM 541 OE2 GLU A 127 1.346 2.419 9.563 1.00 0.00 O ATOM 0 H GLU A 127 1.585 3.226 4.038 1.00 0.00 H new ATOM 0 HA GLU A 127 0.422 0.657 4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.009 3.473 6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.007 2.108 6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.973 0.930 7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.980 2.305 6.962 1.00 0.00 H new ATOM 548 N PHE A 128 -1.347 0.921 3.244 1.00 0.00 N ATOM 549 CA PHE A 128 -2.437 1.026 2.281 1.00 0.00 C ATOM 550 C PHE A 128 -3.771 1.239 2.990 1.00 0.00 C ATOM 551 O PHE A 128 -3.958 0.797 4.124 1.00 0.00 O ATOM 552 CB PHE A 128 -2.512 -0.229 1.405 1.00 0.00 C ATOM 553 CG PHE A 128 -1.301 -0.453 0.543 1.00 0.00 C ATOM 554 CD1 PHE A 128 -0.056 -0.668 1.111 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.413 -0.456 -0.838 1.00 0.00 C ATOM 556 CE1 PHE A 128 1.055 -0.879 0.316 1.00 0.00 C ATOM 557 CE2 PHE A 128 -0.305 -0.668 -1.636 1.00 0.00 C ATOM 558 CZ PHE A 128 0.930 -0.880 -1.058 1.00 0.00 C ATOM 0 H PHE A 128 -1.052 -0.035 3.442 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.235 1.888 1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -2.653 -1.099 2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.392 -0.160 0.765 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.048 -0.671 2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.377 -0.291 -1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 128 2.021 -1.043 0.770 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.405 -0.668 -2.711 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.797 -1.046 -1.680 1.00 0.00 H new ATOM 568 N ARG A 129 -4.694 1.912 2.313 1.00 0.00 N ATOM 569 CA ARG A 129 -6.014 2.177 2.874 1.00 0.00 C ATOM 570 C ARG A 129 -7.008 2.532 1.774 1.00 0.00 C ATOM 571 O ARG A 129 -6.716 3.345 0.897 1.00 0.00 O ATOM 572 CB ARG A 129 -5.948 3.308 3.904 1.00 0.00 C ATOM 573 CG ARG A 129 -7.293 3.648 4.514 1.00 0.00 C ATOM 574 CD ARG A 129 -7.178 4.755 5.551 1.00 0.00 C ATOM 575 NE ARG A 129 -8.480 5.132 6.098 1.00 0.00 N ATOM 576 CZ ARG A 129 -9.271 4.302 6.775 1.00 0.00 C ATOM 577 NH1 ARG A 129 -8.889 3.052 7.006 1.00 0.00 N ATOM 578 NH2 ARG A 129 -10.446 4.723 7.225 1.00 0.00 N ATOM 0 H ARG A 129 -4.553 2.285 1.374 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.354 1.269 3.372 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.258 3.025 4.699 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.538 4.199 3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -7.982 3.957 3.727 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.717 2.758 4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -6.526 4.427 6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -6.709 5.628 5.098 1.00 0.00 H new ATOM 0 HE ARG A 129 -8.802 6.089 5.952 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -7.986 2.723 6.664 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -9.499 2.420 7.525 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -10.744 5.683 7.052 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -11.051 4.087 7.744 1.00 0.00 H new ATOM 592 N CYS A 130 -8.181 1.911 1.828 1.00 0.00 N ATOM 593 CA CYS A 130 -9.223 2.151 0.837 1.00 0.00 C ATOM 594 C CYS A 130 -10.126 3.306 1.255 1.00 0.00 C ATOM 595 O CYS A 130 -10.438 3.467 2.435 1.00 0.00 O ATOM 596 CB CYS A 130 -10.056 0.886 0.632 1.00 0.00 C ATOM 597 SG CYS A 130 -9.092 -0.553 0.066 1.00 0.00 S ATOM 0 H CYS A 130 -8.434 1.236 2.550 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.739 2.420 -0.102 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -10.550 0.633 1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.840 1.094 -0.096 1.00 0.00 H new ATOM 602 N ASP A 131 -10.543 4.105 0.277 1.00 0.00 N ATOM 603 CA ASP A 131 -11.416 5.247 0.535 1.00 0.00 C ATOM 604 C ASP A 131 -12.696 4.809 1.245 1.00 0.00 C ATOM 605 O ASP A 131 -13.054 3.631 1.216 1.00 0.00 O ATOM 606 CB ASP A 131 -11.760 5.957 -0.777 1.00 0.00 C ATOM 607 CG ASP A 131 -10.540 6.554 -1.447 1.00 0.00 C ATOM 608 OD1 ASP A 131 -9.869 7.399 -0.816 1.00 0.00 O ATOM 609 OD2 ASP A 131 -10.254 6.180 -2.603 1.00 0.00 O ATOM 0 H ASP A 131 -10.290 3.983 -0.704 1.00 0.00 H new ATOM 0 HA ASP A 131 -10.884 5.940 1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.235 5.249 -1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.486 6.746 -0.581 1.00 0.00 H new ATOM 614 N PRO A 132 -13.404 5.755 1.895 1.00 0.00 N ATOM 615 CA PRO A 132 -14.650 5.467 2.614 1.00 0.00 C ATOM 616 C PRO A 132 -15.553 4.499 1.859 1.00 0.00 C ATOM 617 O PRO A 132 -15.478 4.396 0.634 1.00 0.00 O ATOM 618 CB PRO A 132 -15.304 6.841 2.719 1.00 0.00 C ATOM 619 CG PRO A 132 -14.158 7.790 2.804 1.00 0.00 C ATOM 620 CD PRO A 132 -13.046 7.186 1.981 1.00 0.00 C ATOM 0 HA PRO A 132 -14.470 4.983 3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -15.930 7.051 1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -15.944 6.911 3.599 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -14.437 8.771 2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -13.844 7.929 3.839 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -12.987 7.643 0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -12.075 7.327 2.456 1.00 0.00 H new ATOM 628 N ASP A 133 -16.395 3.782 2.607 1.00 0.00 N ATOM 629 CA ASP A 133 -17.315 2.800 2.033 1.00 0.00 C ATOM 630 C ASP A 133 -16.585 1.500 1.712 1.00 0.00 C ATOM 631 O ASP A 133 -17.154 0.414 1.829 1.00 0.00 O ATOM 632 CB ASP A 133 -18.000 3.352 0.776 1.00 0.00 C ATOM 633 CG ASP A 133 -19.010 2.385 0.187 1.00 0.00 C ATOM 634 OD1 ASP A 133 -18.603 1.284 -0.238 1.00 0.00 O ATOM 635 OD2 ASP A 133 -20.210 2.730 0.153 1.00 0.00 O ATOM 0 H ASP A 133 -16.458 3.866 3.622 1.00 0.00 H new ATOM 0 HA ASP A 133 -18.085 2.592 2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -18.500 4.289 1.022 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -17.243 3.582 0.026 1.00 0.00 H new ATOM 640 N PHE A 134 -15.320 1.613 1.317 1.00 0.00 N ATOM 641 CA PHE A 134 -14.515 0.443 0.992 1.00 0.00 C ATOM 642 C PHE A 134 -13.475 0.199 2.081 1.00 0.00 C ATOM 643 O PHE A 134 -12.747 1.112 2.470 1.00 0.00 O ATOM 644 CB PHE A 134 -13.811 0.625 -0.359 1.00 0.00 C ATOM 645 CG PHE A 134 -14.743 0.887 -1.513 1.00 0.00 C ATOM 646 CD1 PHE A 134 -15.553 2.011 -1.532 1.00 0.00 C ATOM 647 CD2 PHE A 134 -14.805 0.004 -2.579 1.00 0.00 C ATOM 648 CE1 PHE A 134 -16.406 2.250 -2.593 1.00 0.00 C ATOM 649 CE2 PHE A 134 -15.656 0.237 -3.642 1.00 0.00 C ATOM 650 CZ PHE A 134 -16.458 1.363 -3.649 1.00 0.00 C ATOM 0 H PHE A 134 -14.832 2.503 1.215 1.00 0.00 H new ATOM 0 HA PHE A 134 -15.180 -0.418 0.928 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -13.107 1.454 -0.280 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -13.227 -0.270 -0.575 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -15.517 2.708 -0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -14.180 -0.877 -2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.031 3.130 -2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -15.695 -0.460 -4.466 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.124 1.548 -4.479 1.00 0.00 H new ATOM 660 N HIS A 135 -13.411 -1.035 2.575 1.00 0.00 N ATOM 661 CA HIS A 135 -12.459 -1.385 3.624 1.00 0.00 C ATOM 662 C HIS A 135 -11.372 -2.315 3.091 1.00 0.00 C ATOM 663 O HIS A 135 -11.655 -3.277 2.377 1.00 0.00 O ATOM 664 CB HIS A 135 -13.182 -2.040 4.803 1.00 0.00 C ATOM 665 CG HIS A 135 -13.870 -3.323 4.455 1.00 0.00 C ATOM 666 ND1 HIS A 135 -14.835 -3.420 3.474 1.00 0.00 N ATOM 667 CD2 HIS A 135 -13.732 -4.569 4.967 1.00 0.00 C ATOM 668 CE1 HIS A 135 -15.259 -4.669 3.399 1.00 0.00 C ATOM 669 NE2 HIS A 135 -14.605 -5.386 4.293 1.00 0.00 N ATOM 0 H HIS A 135 -14.004 -1.805 2.267 1.00 0.00 H new ATOM 0 HA HIS A 135 -11.983 -0.466 3.967 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.461 -2.230 5.599 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -13.918 -1.340 5.199 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -13.060 -4.865 5.759 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -16.013 -5.040 2.721 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -14.728 -6.385 4.457 1.00 0.00 H new ATOM 678 N LEU A 136 -10.123 -2.016 3.443 1.00 0.00 N ATOM 679 CA LEU A 136 -8.986 -2.818 3.004 1.00 0.00 C ATOM 680 C LEU A 136 -8.920 -4.130 3.785 1.00 0.00 C ATOM 681 O LEU A 136 -9.032 -4.138 5.012 1.00 0.00 O ATOM 682 CB LEU A 136 -7.690 -2.016 3.179 1.00 0.00 C ATOM 683 CG LEU A 136 -6.442 -2.609 2.517 1.00 0.00 C ATOM 684 CD1 LEU A 136 -5.339 -1.567 2.456 1.00 0.00 C ATOM 685 CD2 LEU A 136 -5.955 -3.837 3.267 1.00 0.00 C ATOM 0 H LEU A 136 -9.874 -1.222 4.033 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.110 -3.062 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.849 -1.014 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.495 -1.906 4.246 1.00 0.00 H new ATOM 0 HG LEU A 136 -6.708 -2.912 1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -4.456 -1.999 1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.679 -0.710 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.088 -1.243 3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -5.068 -4.236 2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.708 -3.563 4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.739 -4.594 3.273 1.00 0.00 H new ATOM 697 N VAL A 137 -8.745 -5.236 3.067 1.00 0.00 N ATOM 698 CA VAL A 137 -8.671 -6.555 3.692 1.00 0.00 C ATOM 699 C VAL A 137 -7.497 -7.368 3.145 1.00 0.00 C ATOM 700 O VAL A 137 -7.695 -8.374 2.464 1.00 0.00 O ATOM 701 CB VAL A 137 -9.975 -7.350 3.473 1.00 0.00 C ATOM 702 CG1 VAL A 137 -9.941 -8.668 4.236 1.00 0.00 C ATOM 703 CG2 VAL A 137 -11.183 -6.523 3.884 1.00 0.00 C ATOM 0 H VAL A 137 -8.652 -5.246 2.051 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.524 -6.389 4.759 1.00 0.00 H new ATOM 0 HB VAL A 137 -10.060 -7.576 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -10.871 -9.211 4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.101 -9.269 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -9.827 -8.469 5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -12.092 -7.102 3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -11.103 -6.261 4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.221 -5.612 3.286 1.00 0.00 H new ATOM 713 N GLY A 138 -6.273 -6.934 3.437 1.00 0.00 N ATOM 714 CA GLY A 138 -5.112 -7.655 2.950 1.00 0.00 C ATOM 715 C GLY A 138 -3.802 -7.004 3.337 1.00 0.00 C ATOM 716 O GLY A 138 -3.555 -6.749 4.515 1.00 0.00 O ATOM 0 H GLY A 138 -6.067 -6.106 3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.134 -8.673 3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -5.167 -7.729 1.864 1.00 0.00 H new ATOM 720 N SER A 139 -2.960 -6.747 2.338 1.00 0.00 N ATOM 721 CA SER A 139 -1.657 -6.125 2.558 1.00 0.00 C ATOM 722 C SER A 139 -1.804 -4.660 2.961 1.00 0.00 C ATOM 723 O SER A 139 -1.384 -3.758 2.236 1.00 0.00 O ATOM 724 CB SER A 139 -0.802 -6.234 1.295 1.00 0.00 C ATOM 725 OG SER A 139 0.449 -5.594 1.470 1.00 0.00 O ATOM 0 H SER A 139 -3.160 -6.962 1.361 1.00 0.00 H new ATOM 0 HA SER A 139 -1.165 -6.655 3.374 1.00 0.00 H new ATOM 0 HB2 SER A 139 -0.645 -7.284 1.047 1.00 0.00 H new ATOM 0 HB3 SER A 139 -1.330 -5.784 0.455 1.00 0.00 H new ATOM 0 HG SER A 139 0.784 -5.288 0.601 1.00 0.00 H new ATOM 731 N SER A 140 -2.408 -4.434 4.119 1.00 0.00 N ATOM 732 CA SER A 140 -2.621 -3.089 4.628 1.00 0.00 C ATOM 733 C SER A 140 -1.292 -2.393 4.922 1.00 0.00 C ATOM 734 O SER A 140 -1.236 -1.170 5.042 1.00 0.00 O ATOM 735 CB SER A 140 -3.487 -3.140 5.887 1.00 0.00 C ATOM 736 OG SER A 140 -3.765 -1.838 6.372 1.00 0.00 O ATOM 0 H SER A 140 -2.761 -5.173 4.727 1.00 0.00 H new ATOM 0 HA SER A 140 -3.138 -2.510 3.863 1.00 0.00 H new ATOM 0 HB2 SER A 140 -4.422 -3.656 5.668 1.00 0.00 H new ATOM 0 HB3 SER A 140 -2.977 -3.717 6.659 1.00 0.00 H new ATOM 0 HG SER A 140 -4.321 -1.900 7.176 1.00 0.00 H new ATOM 742 N ARG A 141 -0.223 -3.180 5.039 1.00 0.00 N ATOM 743 CA ARG A 141 1.104 -2.634 5.323 1.00 0.00 C ATOM 744 C ARG A 141 2.181 -3.367 4.526 1.00 0.00 C ATOM 745 O ARG A 141 2.123 -4.584 4.361 1.00 0.00 O ATOM 746 CB ARG A 141 1.409 -2.727 6.819 1.00 0.00 C ATOM 747 CG ARG A 141 0.403 -1.991 7.691 1.00 0.00 C ATOM 748 CD ARG A 141 0.749 -2.112 9.167 1.00 0.00 C ATOM 749 NE ARG A 141 -0.239 -1.452 10.017 1.00 0.00 N ATOM 750 CZ ARG A 141 -1.513 -1.825 10.100 1.00 0.00 C ATOM 751 NH1 ARG A 141 -1.954 -2.860 9.397 1.00 0.00 N ATOM 752 NH2 ARG A 141 -2.348 -1.166 10.891 1.00 0.00 N ATOM 0 H ARG A 141 -0.249 -4.195 4.942 1.00 0.00 H new ATOM 0 HA ARG A 141 1.107 -1.586 5.023 1.00 0.00 H new ATOM 0 HB2 ARG A 141 1.433 -3.777 7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 141 2.404 -2.322 7.005 1.00 0.00 H new ATOM 0 HG2 ARG A 141 0.376 -0.939 7.408 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -0.595 -2.394 7.516 1.00 0.00 H new ATOM 0 HD2 ARG A 141 0.815 -3.166 9.439 1.00 0.00 H new ATOM 0 HD3 ARG A 141 1.731 -1.675 9.346 1.00 0.00 H new ATOM 0 HE ARG A 141 0.066 -0.658 10.580 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -1.315 -3.373 8.790 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -2.932 -3.142 9.464 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -2.014 -0.372 11.437 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -3.325 -1.453 10.954 1.00 0.00 H new ATOM 766 N SER A 142 3.163 -2.610 4.034 1.00 0.00 N ATOM 767 CA SER A 142 4.261 -3.171 3.247 1.00 0.00 C ATOM 768 C SER A 142 5.561 -2.421 3.533 1.00 0.00 C ATOM 769 O SER A 142 5.576 -1.189 3.604 1.00 0.00 O ATOM 770 CB SER A 142 3.936 -3.084 1.754 1.00 0.00 C ATOM 771 OG SER A 142 2.713 -3.733 1.457 1.00 0.00 O ATOM 0 H SER A 142 3.220 -1.600 4.168 1.00 0.00 H new ATOM 0 HA SER A 142 4.387 -4.217 3.528 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.878 -2.038 1.452 1.00 0.00 H new ATOM 0 HB3 SER A 142 4.741 -3.538 1.177 1.00 0.00 H new ATOM 0 HG SER A 142 2.854 -4.384 0.738 1.00 0.00 H new ATOM 777 N VAL A 143 6.650 -3.165 3.700 1.00 0.00 N ATOM 778 CA VAL A 143 7.947 -2.560 3.980 1.00 0.00 C ATOM 779 C VAL A 143 8.921 -2.771 2.822 1.00 0.00 C ATOM 780 O VAL A 143 9.088 -3.888 2.331 1.00 0.00 O ATOM 781 CB VAL A 143 8.565 -3.121 5.277 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.723 -4.632 5.190 1.00 0.00 C ATOM 783 CG2 VAL A 143 9.900 -2.452 5.569 1.00 0.00 C ATOM 0 H VAL A 143 6.660 -4.184 3.647 1.00 0.00 H new ATOM 0 HA VAL A 143 7.774 -1.491 4.107 1.00 0.00 H new ATOM 0 HB VAL A 143 7.887 -2.900 6.101 1.00 0.00 H new ATOM 0 HG11 VAL A 143 9.161 -5.006 6.116 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.746 -5.092 5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 143 9.375 -4.882 4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 143 10.319 -2.862 6.488 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.587 -2.636 4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.751 -1.378 5.685 1.00 0.00 H new ATOM 793 N CYS A 144 9.560 -1.687 2.393 1.00 0.00 N ATOM 794 CA CYS A 144 10.521 -1.743 1.295 1.00 0.00 C ATOM 795 C CYS A 144 11.836 -2.367 1.752 1.00 0.00 C ATOM 796 O CYS A 144 12.313 -2.092 2.854 1.00 0.00 O ATOM 797 CB CYS A 144 10.771 -0.340 0.740 1.00 0.00 C ATOM 798 SG CYS A 144 11.985 -0.279 -0.619 1.00 0.00 S ATOM 0 H CYS A 144 9.430 -0.756 2.790 1.00 0.00 H new ATOM 0 HA CYS A 144 10.101 -2.368 0.507 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.826 0.072 0.387 1.00 0.00 H new ATOM 0 HB3 CYS A 144 11.116 0.303 1.550 1.00 0.00 H new ATOM 803 N SER A 145 12.419 -3.205 0.899 1.00 0.00 N ATOM 804 CA SER A 145 13.681 -3.869 1.216 1.00 0.00 C ATOM 805 C SER A 145 14.333 -4.427 -0.046 1.00 0.00 C ATOM 806 O SER A 145 13.666 -5.056 -0.867 1.00 0.00 O ATOM 807 CB SER A 145 13.450 -5.000 2.221 1.00 0.00 C ATOM 808 OG SER A 145 12.914 -4.508 3.436 1.00 0.00 O ATOM 0 H SER A 145 12.038 -3.441 -0.017 1.00 0.00 H new ATOM 0 HA SER A 145 14.350 -3.129 1.657 1.00 0.00 H new ATOM 0 HB2 SER A 145 12.770 -5.736 1.793 1.00 0.00 H new ATOM 0 HB3 SER A 145 14.392 -5.512 2.418 1.00 0.00 H new ATOM 0 HG SER A 145 12.945 -3.529 3.435 1.00 0.00 H new ATOM 814 N GLN A 146 15.641 -4.195 -0.180 1.00 0.00 N ATOM 815 CA GLN A 146 16.411 -4.668 -1.327 1.00 0.00 C ATOM 816 C GLN A 146 15.990 -3.958 -2.615 1.00 0.00 C ATOM 817 O GLN A 146 16.762 -3.193 -3.194 1.00 0.00 O ATOM 818 CB GLN A 146 16.247 -6.178 -1.480 1.00 0.00 C ATOM 819 CG GLN A 146 17.158 -6.786 -2.525 1.00 0.00 C ATOM 820 CD GLN A 146 18.627 -6.579 -2.210 1.00 0.00 C ATOM 821 OE1 GLN A 146 19.117 -7.014 -1.168 1.00 0.00 O ATOM 822 NE2 GLN A 146 19.337 -5.913 -3.112 1.00 0.00 N ATOM 0 H GLN A 146 16.192 -3.675 0.503 1.00 0.00 H new ATOM 0 HA GLN A 146 17.461 -4.436 -1.146 1.00 0.00 H new ATOM 0 HB2 GLN A 146 16.442 -6.655 -0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 146 15.212 -6.398 -1.741 1.00 0.00 H new ATOM 0 HG2 GLN A 146 16.954 -7.854 -2.603 1.00 0.00 H new ATOM 0 HG3 GLN A 146 16.933 -6.347 -3.497 1.00 0.00 H new ATOM 0 HE21 GLN A 146 18.889 -5.570 -3.962 1.00 0.00 H new ATOM 0 HE22 GLN A 146 20.331 -5.744 -2.955 1.00 0.00 H new ATOM 831 N GLY A 147 14.762 -4.211 -3.050 1.00 0.00 N ATOM 832 CA GLY A 147 14.244 -3.592 -4.254 1.00 0.00 C ATOM 833 C GLY A 147 12.834 -4.056 -4.555 1.00 0.00 C ATOM 834 O GLY A 147 12.465 -4.251 -5.713 1.00 0.00 O ATOM 0 H GLY A 147 14.109 -4.841 -2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 147 14.255 -2.508 -4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 147 14.894 -3.831 -5.096 1.00 0.00 H new ATOM 838 N GLN A 148 12.052 -4.233 -3.495 1.00 0.00 N ATOM 839 CA GLN A 148 10.669 -4.680 -3.605 1.00 0.00 C ATOM 840 C GLN A 148 10.013 -4.699 -2.228 1.00 0.00 C ATOM 841 O GLN A 148 10.693 -4.857 -1.214 1.00 0.00 O ATOM 842 CB GLN A 148 10.598 -6.067 -4.258 1.00 0.00 C ATOM 843 CG GLN A 148 11.476 -7.119 -3.593 1.00 0.00 C ATOM 844 CD GLN A 148 11.005 -7.495 -2.202 1.00 0.00 C ATOM 845 OE1 GLN A 148 9.874 -7.947 -2.018 1.00 0.00 O ATOM 846 NE2 GLN A 148 11.873 -7.313 -1.214 1.00 0.00 N ATOM 0 H GLN A 148 12.360 -4.071 -2.536 1.00 0.00 H new ATOM 0 HA GLN A 148 10.126 -3.980 -4.240 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.564 -6.411 -4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 148 10.888 -5.978 -5.305 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.497 -8.013 -4.217 1.00 0.00 H new ATOM 0 HG3 GLN A 148 12.499 -6.746 -3.535 1.00 0.00 H new ATOM 0 HE21 GLN A 148 12.800 -6.936 -1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 148 11.613 -7.550 -0.257 1.00 0.00 H new ATOM 855 N TRP A 149 8.698 -4.524 -2.192 1.00 0.00 N ATOM 856 CA TRP A 149 7.974 -4.511 -0.927 1.00 0.00 C ATOM 857 C TRP A 149 7.641 -5.929 -0.482 1.00 0.00 C ATOM 858 O TRP A 149 7.303 -6.784 -1.303 1.00 0.00 O ATOM 859 CB TRP A 149 6.693 -3.683 -1.049 1.00 0.00 C ATOM 860 CG TRP A 149 6.916 -2.331 -1.658 1.00 0.00 C ATOM 861 CD1 TRP A 149 7.060 -2.046 -2.985 1.00 0.00 C ATOM 862 CD2 TRP A 149 7.041 -1.085 -0.963 1.00 0.00 C ATOM 863 NE1 TRP A 149 7.252 -0.698 -3.159 1.00 0.00 N ATOM 864 CE2 TRP A 149 7.247 -0.085 -1.934 1.00 0.00 C ATOM 865 CE3 TRP A 149 6.994 -0.713 0.384 1.00 0.00 C ATOM 866 CZ2 TRP A 149 7.407 1.257 -1.600 1.00 0.00 C ATOM 867 CZ3 TRP A 149 7.155 0.620 0.713 1.00 0.00 C ATOM 868 CH2 TRP A 149 7.357 1.591 -0.276 1.00 0.00 C ATOM 0 H TRP A 149 8.114 -4.390 -3.018 1.00 0.00 H new ATOM 0 HA TRP A 149 8.616 -4.053 -0.174 1.00 0.00 H new ATOM 0 HB2 TRP A 149 5.970 -4.231 -1.653 1.00 0.00 H new ATOM 0 HB3 TRP A 149 6.253 -3.560 -0.060 1.00 0.00 H new ATOM 0 HD1 TRP A 149 7.028 -2.775 -3.782 1.00 0.00 H new ATOM 0 HE1 TRP A 149 7.378 -0.229 -4.056 1.00 0.00 H new ATOM 0 HE3 TRP A 149 6.835 -1.454 1.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 7.565 2.007 -2.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 7.124 0.918 1.751 1.00 0.00 H new ATOM 0 HH2 TRP A 149 7.476 2.625 0.014 1.00 0.00 H new ATOM 879 N SER A 150 7.749 -6.177 0.821 1.00 0.00 N ATOM 880 CA SER A 150 7.471 -7.497 1.376 1.00 0.00 C ATOM 881 C SER A 150 6.102 -8.000 0.931 1.00 0.00 C ATOM 882 O SER A 150 5.997 -9.041 0.283 1.00 0.00 O ATOM 883 CB SER A 150 7.543 -7.456 2.903 1.00 0.00 C ATOM 884 OG SER A 150 8.835 -7.072 3.342 1.00 0.00 O ATOM 0 H SER A 150 8.027 -5.480 1.512 1.00 0.00 H new ATOM 0 HA SER A 150 8.228 -8.187 1.002 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.802 -6.755 3.287 1.00 0.00 H new ATOM 0 HB3 SER A 150 7.294 -8.437 3.309 1.00 0.00 H new ATOM 0 HG SER A 150 8.904 -7.204 4.311 1.00 0.00 H new ATOM 890 N THR A 151 5.055 -7.255 1.274 1.00 0.00 N ATOM 891 CA THR A 151 3.701 -7.639 0.894 1.00 0.00 C ATOM 892 C THR A 151 3.222 -6.837 -0.315 1.00 0.00 C ATOM 893 O THR A 151 3.393 -5.619 -0.367 1.00 0.00 O ATOM 894 CB THR A 151 2.715 -7.443 2.056 1.00 0.00 C ATOM 895 OG1 THR A 151 2.770 -6.090 2.515 1.00 0.00 O ATOM 896 CG2 THR A 151 3.038 -8.387 3.204 1.00 0.00 C ATOM 0 H THR A 151 5.118 -6.389 1.810 1.00 0.00 H new ATOM 0 HA THR A 151 3.732 -8.697 0.633 1.00 0.00 H new ATOM 0 HB THR A 151 1.710 -7.666 1.696 1.00 0.00 H new ATOM 0 HG1 THR A 151 2.182 -5.533 1.963 1.00 0.00 H new ATOM 0 HG21 THR A 151 2.327 -8.230 4.015 1.00 0.00 H new ATOM 0 HG22 THR A 151 2.971 -9.418 2.857 1.00 0.00 H new ATOM 0 HG23 THR A 151 4.048 -8.190 3.564 1.00 0.00 H new ATOM 904 N PRO A 152 2.614 -7.512 -1.310 1.00 0.00 N ATOM 905 CA PRO A 152 2.114 -6.848 -2.520 1.00 0.00 C ATOM 906 C PRO A 152 0.950 -5.908 -2.227 1.00 0.00 C ATOM 907 O PRO A 152 0.776 -5.453 -1.098 1.00 0.00 O ATOM 908 CB PRO A 152 1.653 -8.012 -3.403 1.00 0.00 C ATOM 909 CG PRO A 152 1.382 -9.129 -2.454 1.00 0.00 C ATOM 910 CD PRO A 152 2.368 -8.965 -1.333 1.00 0.00 C ATOM 0 HA PRO A 152 2.876 -6.221 -2.983 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.759 -7.749 -3.969 1.00 0.00 H new ATOM 0 HB3 PRO A 152 2.420 -8.286 -4.127 1.00 0.00 H new ATOM 0 HG2 PRO A 152 0.358 -9.086 -2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.504 -10.095 -2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 152 1.963 -9.320 -0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.284 -9.526 -1.518 1.00 0.00 H new ATOM 918 N LYS A 153 0.154 -5.623 -3.251 1.00 0.00 N ATOM 919 CA LYS A 153 -0.997 -4.740 -3.101 1.00 0.00 C ATOM 920 C LYS A 153 -2.263 -5.537 -2.793 1.00 0.00 C ATOM 921 O LYS A 153 -2.578 -6.508 -3.482 1.00 0.00 O ATOM 922 CB LYS A 153 -1.192 -3.901 -4.364 1.00 0.00 C ATOM 923 CG LYS A 153 -0.129 -2.829 -4.549 1.00 0.00 C ATOM 924 CD LYS A 153 -0.357 -2.004 -5.810 1.00 0.00 C ATOM 925 CE LYS A 153 -1.680 -1.247 -5.772 1.00 0.00 C ATOM 926 NZ LYS A 153 -2.851 -2.152 -5.932 1.00 0.00 N ATOM 0 H LYS A 153 0.284 -5.990 -4.194 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.804 -4.072 -2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.188 -4.560 -5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.173 -3.427 -4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -0.126 -2.170 -3.681 1.00 0.00 H new ATOM 0 HG3 LYS A 153 0.854 -3.298 -4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 153 0.462 -1.295 -5.931 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -0.341 -2.661 -6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -1.763 -0.712 -4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -1.691 -0.498 -6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.514 -1.743 -6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.528 -3.080 -6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -3.330 -2.266 -5.016 1.00 0.00 H new ATOM 940 N PRO A 154 -3.009 -5.137 -1.746 1.00 0.00 N ATOM 941 CA PRO A 154 -4.244 -5.821 -1.346 1.00 0.00 C ATOM 942 C PRO A 154 -5.402 -5.557 -2.306 1.00 0.00 C ATOM 943 O PRO A 154 -5.205 -5.442 -3.516 1.00 0.00 O ATOM 944 CB PRO A 154 -4.541 -5.223 0.031 1.00 0.00 C ATOM 945 CG PRO A 154 -3.934 -3.864 -0.013 1.00 0.00 C ATOM 946 CD PRO A 154 -2.703 -3.990 -0.868 1.00 0.00 C ATOM 0 HA PRO A 154 -4.128 -6.905 -1.345 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.614 -5.173 0.219 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -4.106 -5.826 0.828 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.630 -3.139 -0.435 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.680 -3.517 0.989 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -2.519 -3.082 -1.443 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.813 -4.172 -0.266 1.00 0.00 H new ATOM 954 N HIS A 155 -6.610 -5.462 -1.754 1.00 0.00 N ATOM 955 CA HIS A 155 -7.806 -5.211 -2.551 1.00 0.00 C ATOM 956 C HIS A 155 -8.874 -4.525 -1.706 1.00 0.00 C ATOM 957 O HIS A 155 -8.949 -4.736 -0.496 1.00 0.00 O ATOM 958 CB HIS A 155 -8.349 -6.519 -3.129 1.00 0.00 C ATOM 959 CG HIS A 155 -8.714 -7.532 -2.087 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.801 -8.063 -1.201 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.902 -8.112 -1.795 1.00 0.00 C ATOM 962 CE1 HIS A 155 -8.411 -8.927 -0.409 1.00 0.00 C ATOM 963 NE2 HIS A 155 -9.685 -8.974 -0.749 1.00 0.00 N ATOM 0 H HIS A 155 -6.785 -5.556 -0.754 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.537 -4.552 -3.376 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -9.228 -6.301 -3.735 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.602 -6.949 -3.796 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.844 -7.931 -2.292 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.946 -9.497 0.382 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -10.395 -9.557 -0.306 1.00 0.00 H new ATOM 972 N CYS A 156 -9.695 -3.699 -2.347 1.00 0.00 N ATOM 973 CA CYS A 156 -10.751 -2.980 -1.643 1.00 0.00 C ATOM 974 C CYS A 156 -12.092 -3.693 -1.784 1.00 0.00 C ATOM 975 O CYS A 156 -12.515 -4.030 -2.890 1.00 0.00 O ATOM 976 CB CYS A 156 -10.865 -1.552 -2.175 1.00 0.00 C ATOM 977 SG CYS A 156 -9.361 -0.551 -1.945 1.00 0.00 S ATOM 0 H CYS A 156 -9.650 -3.511 -3.349 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.488 -2.950 -0.586 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -11.105 -1.590 -3.238 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -11.698 -1.056 -1.678 1.00 0.00 H new ATOM 982 N GLN A 157 -12.756 -3.915 -0.654 1.00 0.00 N ATOM 983 CA GLN A 157 -14.052 -4.583 -0.643 1.00 0.00 C ATOM 984 C GLN A 157 -15.155 -3.612 -0.235 1.00 0.00 C ATOM 985 O GLN A 157 -15.016 -2.876 0.743 1.00 0.00 O ATOM 986 CB GLN A 157 -14.024 -5.778 0.315 1.00 0.00 C ATOM 987 CG GLN A 157 -15.347 -6.527 0.404 1.00 0.00 C ATOM 988 CD GLN A 157 -15.738 -7.222 -0.890 1.00 0.00 C ATOM 989 OE1 GLN A 157 -16.819 -7.801 -0.989 1.00 0.00 O ATOM 990 NE2 GLN A 157 -14.858 -7.182 -1.888 1.00 0.00 N ATOM 0 H GLN A 157 -12.416 -3.641 0.268 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.261 -4.941 -1.651 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -13.246 -6.471 -0.006 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.748 -5.428 1.310 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -15.283 -7.268 1.200 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -16.134 -5.826 0.683 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -13.972 -6.692 -1.767 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -15.070 -7.642 -2.773 1.00 0.00 H new ATOM 999 N VAL A 158 -16.251 -3.618 -0.986 1.00 0.00 N ATOM 1000 CA VAL A 158 -17.376 -2.742 -0.699 1.00 0.00 C ATOM 1001 C VAL A 158 -18.291 -3.372 0.342 1.00 0.00 C ATOM 1002 O VAL A 158 -18.728 -4.514 0.192 1.00 0.00 O ATOM 1003 CB VAL A 158 -18.184 -2.429 -1.975 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -18.693 -3.709 -2.621 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -19.336 -1.486 -1.663 1.00 0.00 C ATOM 0 H VAL A 158 -16.382 -4.221 -1.798 1.00 0.00 H new ATOM 0 HA VAL A 158 -16.972 -1.808 -0.308 1.00 0.00 H new ATOM 0 HB VAL A 158 -17.521 -1.934 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -19.260 -3.463 -3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -17.847 -4.343 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -19.337 -4.239 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -19.893 -1.278 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -19.998 -1.950 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -18.943 -0.554 -1.257 1.00 0.00 H new ATOM 1015 N ASN A 159 -18.576 -2.627 1.401 1.00 0.00 N ATOM 1016 CA ASN A 159 -19.436 -3.127 2.462 1.00 0.00 C ATOM 1017 C ASN A 159 -20.876 -3.266 1.976 1.00 0.00 C ATOM 1018 O ASN A 159 -21.372 -4.411 1.918 1.00 0.00 O ATOM 1019 CB ASN A 159 -19.380 -2.204 3.681 1.00 0.00 C ATOM 1020 CG ASN A 159 -18.007 -2.172 4.323 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -17.504 -3.195 4.788 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -17.394 -0.995 4.351 1.00 0.00 N ATOM 1023 OXT ASN A 159 -21.495 -2.229 1.658 1.00 0.00 O ATOM 0 H ASN A 159 -18.226 -1.680 1.547 1.00 0.00 H new ATOM 0 HA ASN A 159 -19.072 -4.113 2.751 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -19.661 -1.194 3.381 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -20.114 -2.534 4.416 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -16.468 -0.912 4.770 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -17.849 -0.173 3.953 1.00 0.00 H new