USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 460 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 73 ASN : amide:sc= 0 K(o=0.12,f=-1.2) USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 76 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 TYR OH : rot -35:sc= 0.013 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.02 K(o=-1,f=-3.2) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0308) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -162:sc= -0.922 (180deg=-2.05) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.26) USER MOD Single : A 109 ASN : amide:sc= -0.816 K(o=-0.82,f=-0.02) USER MOD Single : A 110 LYS NZ :NH3+ 172:sc=-0.00344 (180deg=-0.0849) USER MOD Single : A 112 LYS NZ :NH3+ 155:sc= -0.0101 (180deg=-0.467) USER MOD ----------------------------------------------------------------- ATOM 27 N ILE A 60 -3.308 -7.475 -2.145 1.00 0.00 N ATOM 28 CA ILE A 60 -4.507 -7.445 -2.936 1.00 0.00 C ATOM 29 C ILE A 60 -5.779 -7.396 -2.129 1.00 0.00 C ATOM 30 O ILE A 60 -6.500 -6.403 -2.180 1.00 0.00 O ATOM 31 CB ILE A 60 -4.730 -8.544 -3.953 1.00 0.00 C ATOM 32 CG1 ILE A 60 -4.197 -9.949 -3.569 1.00 0.00 C ATOM 33 CG2 ILE A 60 -4.225 -7.994 -5.299 1.00 0.00 C ATOM 34 CD1 ILE A 60 -2.678 -10.083 -3.550 1.00 0.00 C ATOM 0 HA ILE A 60 -4.304 -6.519 -3.473 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.794 -8.774 -4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.581 -10.209 -2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.602 -10.678 -4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.361 -8.748 -6.074 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.789 -7.098 -5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.167 -7.746 -5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.406 -11.101 -3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.281 -9.860 -4.540 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.260 -9.384 -2.826 1.00 0.00 H new ATOM 46 N ALA A 61 -6.124 -8.494 -1.421 1.00 0.00 N ATOM 47 CA ALA A 61 -7.393 -8.639 -0.753 1.00 0.00 C ATOM 48 C ALA A 61 -7.118 -8.407 0.685 1.00 0.00 C ATOM 49 O ALA A 61 -7.972 -7.945 1.442 1.00 0.00 O ATOM 50 CB ALA A 61 -7.964 -10.058 -0.877 1.00 0.00 C ATOM 0 H ALA A 61 -5.509 -9.300 -1.309 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.111 -7.948 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.920 -10.112 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.110 -10.301 -1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.268 -10.770 -0.433 1.00 0.00 H new ATOM 56 N ARG A 62 -5.859 -8.701 1.056 1.00 0.00 N ATOM 57 CA ARG A 62 -5.281 -8.373 2.321 1.00 0.00 C ATOM 58 C ARG A 62 -5.277 -6.901 2.448 1.00 0.00 C ATOM 59 O ARG A 62 -5.504 -6.338 3.517 1.00 0.00 O ATOM 60 CB ARG A 62 -3.791 -8.739 2.318 1.00 0.00 C ATOM 61 CG ARG A 62 -3.574 -10.244 2.408 1.00 0.00 C ATOM 62 CD ARG A 62 -2.460 -10.660 3.376 1.00 0.00 C ATOM 63 NE ARG A 62 -2.786 -10.184 4.751 1.00 0.00 N ATOM 64 CZ ARG A 62 -1.941 -10.465 5.787 1.00 0.00 C ATOM 65 NH1 ARG A 62 -0.845 -11.253 5.585 1.00 0.00 N ATOM 66 NH2 ARG A 62 -2.190 -9.956 7.028 1.00 0.00 N ATOM 0 H ARG A 62 -5.211 -9.193 0.441 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.837 -8.889 3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.326 -8.359 1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.296 -8.250 3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.506 -10.716 2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.339 -10.626 1.415 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.348 -11.744 3.373 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.508 -10.241 3.052 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.639 -9.649 4.918 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.655 -11.634 4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.216 -11.461 6.361 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.007 -9.366 7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.559 -10.166 7.801 1.00 0.00 H new ATOM 80 N ILE A 63 -4.965 -6.272 1.312 1.00 0.00 N ATOM 81 CA ILE A 63 -4.581 -4.915 1.236 1.00 0.00 C ATOM 82 C ILE A 63 -5.770 -4.063 1.013 1.00 0.00 C ATOM 83 O ILE A 63 -5.761 -2.884 1.350 1.00 0.00 O ATOM 84 CB ILE A 63 -3.594 -4.828 0.126 1.00 0.00 C ATOM 85 CG1 ILE A 63 -2.284 -4.236 0.634 1.00 0.00 C ATOM 86 CG2 ILE A 63 -4.120 -4.241 -1.187 1.00 0.00 C ATOM 87 CD1 ILE A 63 -1.548 -3.512 -0.472 1.00 0.00 C ATOM 0 H ILE A 63 -4.983 -6.736 0.404 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.129 -4.557 2.161 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.383 -5.849 -0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.487 -3.546 1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.654 -5.030 1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.318 -4.225 -1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.941 -4.855 -1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.475 -3.225 -1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.618 -3.100 -0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.325 -4.210 -1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.170 -2.703 -0.854 1.00 0.00 H new ATOM 99 N ASN A 64 -6.845 -4.666 0.477 1.00 0.00 N ATOM 100 CA ASN A 64 -8.100 -3.995 0.337 1.00 0.00 C ATOM 101 C ASN A 64 -8.687 -3.776 1.698 1.00 0.00 C ATOM 102 O ASN A 64 -9.500 -2.874 1.892 1.00 0.00 O ATOM 103 CB ASN A 64 -9.087 -4.860 -0.458 1.00 0.00 C ATOM 104 CG ASN A 64 -9.587 -4.060 -1.657 1.00 0.00 C ATOM 105 OD1 ASN A 64 -9.241 -4.361 -2.806 1.00 0.00 O ATOM 106 ND2 ASN A 64 -10.428 -3.020 -1.371 1.00 0.00 N ATOM 0 H ASN A 64 -6.845 -5.628 0.137 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.933 -3.051 -0.182 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.601 -5.777 -0.792 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.924 -5.155 0.174 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.804 -2.446 -2.126 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.679 -2.818 -0.403 1.00 0.00 H new ATOM 113 N ALA A 65 -8.268 -4.612 2.671 1.00 0.00 N ATOM 114 CA ALA A 65 -8.856 -4.633 3.980 1.00 0.00 C ATOM 115 C ALA A 65 -7.939 -3.959 4.947 1.00 0.00 C ATOM 116 O ALA A 65 -8.289 -3.780 6.112 1.00 0.00 O ATOM 117 CB ALA A 65 -9.052 -6.066 4.497 1.00 0.00 C ATOM 0 H ALA A 65 -7.510 -5.283 2.547 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.820 -4.131 3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.499 -6.036 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.709 -6.611 3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.087 -6.569 4.549 1.00 0.00 H new ATOM 123 N ALA A 66 -6.734 -3.578 4.487 1.00 0.00 N ATOM 124 CA ALA A 66 -5.743 -3.018 5.359 1.00 0.00 C ATOM 125 C ALA A 66 -5.820 -1.532 5.293 1.00 0.00 C ATOM 126 O ALA A 66 -5.677 -0.849 6.306 1.00 0.00 O ATOM 127 CB ALA A 66 -4.316 -3.394 4.939 1.00 0.00 C ATOM 0 H ALA A 66 -6.444 -3.657 3.512 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.945 -3.408 6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.603 -2.946 5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.205 -4.478 4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.124 -3.026 3.931 1.00 0.00 H new ATOM 133 N VAL A 67 -6.025 -1.001 4.071 1.00 0.00 N ATOM 134 CA VAL A 67 -5.788 0.390 3.799 1.00 0.00 C ATOM 135 C VAL A 67 -7.038 1.187 4.004 1.00 0.00 C ATOM 136 O VAL A 67 -7.053 2.398 3.791 1.00 0.00 O ATOM 137 CB VAL A 67 -5.274 0.639 2.397 1.00 0.00 C ATOM 138 CG1 VAL A 67 -3.973 -0.157 2.195 1.00 0.00 C ATOM 139 CG2 VAL A 67 -6.343 0.286 1.348 1.00 0.00 C ATOM 0 H VAL A 67 -6.356 -1.535 3.268 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.016 0.707 4.500 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.055 1.699 2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.594 0.015 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.230 0.169 2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.172 -1.220 2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.949 0.474 0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.610 -0.767 1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.229 0.901 1.510 1.00 0.00 H new ATOM 149 N ARG A 68 -8.118 0.513 4.447 1.00 0.00 N ATOM 150 CA ARG A 68 -9.416 1.101 4.628 1.00 0.00 C ATOM 151 C ARG A 68 -9.443 2.020 5.813 1.00 0.00 C ATOM 152 O ARG A 68 -10.370 2.816 5.958 1.00 0.00 O ATOM 153 CB ARG A 68 -10.492 0.020 4.830 1.00 0.00 C ATOM 154 CG ARG A 68 -10.217 -0.904 6.025 1.00 0.00 C ATOM 155 CD ARG A 68 -11.192 -2.082 6.103 1.00 0.00 C ATOM 156 NE ARG A 68 -12.576 -1.551 6.291 1.00 0.00 N ATOM 157 CZ ARG A 68 -13.068 -1.222 7.524 1.00 0.00 C ATOM 158 NH1 ARG A 68 -12.319 -1.401 8.650 1.00 0.00 N ATOM 159 NH2 ARG A 68 -14.329 -0.708 7.628 1.00 0.00 N ATOM 0 H ARG A 68 -8.088 -0.478 4.688 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.628 1.669 3.722 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.459 0.503 4.970 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.565 -0.582 3.925 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.198 -1.286 5.956 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.279 -0.326 6.947 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.137 -2.678 5.192 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.924 -2.739 6.930 1.00 0.00 H new ATOM 0 HE ARG A 68 -13.173 -1.430 5.473 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.377 -1.785 8.580 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.701 -1.150 9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.895 -0.572 6.790 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.705 -0.460 8.543 1.00 0.00 H new ATOM 173 N ALA A 69 -8.412 1.936 6.681 1.00 0.00 N ATOM 174 CA ALA A 69 -8.316 2.751 7.854 1.00 0.00 C ATOM 175 C ALA A 69 -8.011 4.162 7.460 1.00 0.00 C ATOM 176 O ALA A 69 -8.498 5.101 8.088 1.00 0.00 O ATOM 177 CB ALA A 69 -7.178 2.291 8.778 1.00 0.00 C ATOM 0 H ALA A 69 -7.632 1.289 6.564 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.269 2.670 8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.139 2.936 9.656 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.356 1.262 9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.230 2.348 8.244 1.00 0.00 H new ATOM 183 N TYR A 70 -7.185 4.335 6.407 1.00 0.00 N ATOM 184 CA TYR A 70 -6.715 5.630 6.015 1.00 0.00 C ATOM 185 C TYR A 70 -7.803 6.353 5.300 1.00 0.00 C ATOM 186 O TYR A 70 -8.069 7.518 5.589 1.00 0.00 O ATOM 187 CB TYR A 70 -5.508 5.557 5.066 1.00 0.00 C ATOM 188 CG TYR A 70 -4.415 4.841 5.782 1.00 0.00 C ATOM 189 CD1 TYR A 70 -3.723 5.463 6.803 1.00 0.00 C ATOM 190 CD2 TYR A 70 -4.103 3.537 5.452 1.00 0.00 C ATOM 191 CE1 TYR A 70 -2.737 4.787 7.493 1.00 0.00 C ATOM 192 CE2 TYR A 70 -3.134 2.851 6.154 1.00 0.00 C ATOM 193 CZ TYR A 70 -2.441 3.478 7.168 1.00 0.00 C ATOM 194 OH TYR A 70 -1.437 2.780 7.873 1.00 0.00 O ATOM 0 H TYR A 70 -6.842 3.571 5.825 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.412 6.146 6.926 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.773 5.031 4.149 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.186 6.558 4.778 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.955 6.485 7.063 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -4.621 3.051 4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.197 5.282 8.287 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.918 1.822 5.909 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.716 3.399 8.114 1.00 0.00 H new ATOM 204 N GLY A 71 -8.456 5.667 4.343 1.00 0.00 N ATOM 205 CA GLY A 71 -9.424 6.302 3.499 1.00 0.00 C ATOM 206 C GLY A 71 -9.157 5.807 2.120 1.00 0.00 C ATOM 207 O GLY A 71 -9.953 6.024 1.208 1.00 0.00 O ATOM 0 H GLY A 71 -8.315 4.675 4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.438 6.053 3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.332 7.387 3.548 1.00 0.00 H new ATOM 211 N LEU A 72 -8.013 5.112 1.955 1.00 0.00 N ATOM 212 CA LEU A 72 -7.677 4.477 0.717 1.00 0.00 C ATOM 213 C LEU A 72 -8.539 3.282 0.619 1.00 0.00 C ATOM 214 O LEU A 72 -9.014 2.756 1.623 1.00 0.00 O ATOM 215 CB LEU A 72 -6.224 3.980 0.670 1.00 0.00 C ATOM 216 CG LEU A 72 -5.174 5.099 0.786 1.00 0.00 C ATOM 217 CD1 LEU A 72 -3.767 4.508 0.979 1.00 0.00 C ATOM 218 CD2 LEU A 72 -5.227 6.028 -0.434 1.00 0.00 C ATOM 0 H LEU A 72 -7.315 4.990 2.689 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.810 5.199 -0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.069 3.266 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.065 3.443 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.408 5.697 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.040 5.317 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.745 3.910 1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.517 3.878 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.476 6.811 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.027 5.453 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.216 6.481 -0.503 1.00 0.00 H new ATOM 230 N ASN A 73 -8.790 2.870 -0.630 1.00 0.00 N ATOM 231 CA ASN A 73 -9.601 1.732 -0.894 1.00 0.00 C ATOM 232 C ASN A 73 -8.830 0.798 -1.756 1.00 0.00 C ATOM 233 O ASN A 73 -9.407 -0.109 -2.352 1.00 0.00 O ATOM 234 CB ASN A 73 -10.974 2.070 -1.517 1.00 0.00 C ATOM 235 CG ASN A 73 -10.844 2.689 -2.911 1.00 0.00 C ATOM 236 OD1 ASN A 73 -10.112 3.658 -3.148 1.00 0.00 O ATOM 237 ND2 ASN A 73 -11.630 2.098 -3.861 1.00 0.00 N ATOM 0 H ASN A 73 -8.427 3.331 -1.465 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.841 1.264 0.061 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.575 1.163 -1.580 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.507 2.761 -0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.630 2.454 -4.817 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.216 1.301 -3.614 1.00 0.00 H new ATOM 244 N TYR A 74 -7.495 1.032 -1.819 1.00 0.00 N ATOM 245 CA TYR A 74 -6.522 0.269 -2.562 1.00 0.00 C ATOM 246 C TYR A 74 -6.506 0.732 -3.989 1.00 0.00 C ATOM 247 O TYR A 74 -5.533 0.492 -4.693 1.00 0.00 O ATOM 248 CB TYR A 74 -6.636 -1.281 -2.448 1.00 0.00 C ATOM 249 CG TYR A 74 -5.597 -2.019 -3.244 1.00 0.00 C ATOM 250 CD1 TYR A 74 -4.245 -1.715 -3.174 1.00 0.00 C ATOM 251 CD2 TYR A 74 -5.994 -3.065 -4.055 1.00 0.00 C ATOM 252 CE1 TYR A 74 -3.326 -2.396 -3.949 1.00 0.00 C ATOM 253 CE2 TYR A 74 -5.078 -3.758 -4.821 1.00 0.00 C ATOM 254 CZ TYR A 74 -3.745 -3.408 -4.784 1.00 0.00 C ATOM 255 OH TYR A 74 -2.813 -4.089 -5.596 1.00 0.00 O ATOM 0 H TYR A 74 -7.068 1.809 -1.315 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.562 0.474 -2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.550 -1.567 -1.400 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.626 -1.590 -2.783 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.907 -0.937 -2.506 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.037 -3.345 -4.090 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.279 -2.135 -3.900 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.405 -4.574 -5.449 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.276 -4.774 -6.122 1.00 0.00 H new ATOM 265 N SER A 75 -7.564 1.421 -4.461 1.00 0.00 N ATOM 266 CA SER A 75 -7.616 1.859 -5.830 1.00 0.00 C ATOM 267 C SER A 75 -6.804 3.100 -5.987 1.00 0.00 C ATOM 268 O SER A 75 -6.227 3.348 -7.043 1.00 0.00 O ATOM 269 CB SER A 75 -9.034 2.164 -6.326 1.00 0.00 C ATOM 270 OG SER A 75 -9.822 0.985 -6.272 1.00 0.00 O ATOM 0 H SER A 75 -8.379 1.675 -3.902 1.00 0.00 H new ATOM 0 HA SER A 75 -7.225 1.033 -6.424 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.485 2.943 -5.712 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.999 2.543 -7.347 1.00 0.00 H new ATOM 0 HG SER A 75 -10.728 1.183 -6.588 1.00 0.00 H new ATOM 276 N THR A 76 -6.763 3.921 -4.922 1.00 0.00 N ATOM 277 CA THR A 76 -6.086 5.181 -4.958 1.00 0.00 C ATOM 278 C THR A 76 -4.636 4.939 -4.668 1.00 0.00 C ATOM 279 O THR A 76 -3.745 5.599 -5.217 1.00 0.00 O ATOM 280 CB THR A 76 -6.669 6.117 -3.942 1.00 0.00 C ATOM 281 OG1 THR A 76 -7.165 5.359 -2.851 1.00 0.00 O ATOM 282 CG2 THR A 76 -7.841 6.863 -4.601 1.00 0.00 C ATOM 0 H THR A 76 -7.204 3.709 -4.027 1.00 0.00 H new ATOM 0 HA THR A 76 -6.202 5.639 -5.940 1.00 0.00 H new ATOM 0 HB THR A 76 -5.914 6.820 -3.590 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.547 5.963 -2.180 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.284 7.552 -3.882 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.478 7.422 -5.463 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.593 6.144 -4.926 1.00 0.00 H new ATOM 290 N PHE A 77 -4.392 3.923 -3.816 1.00 0.00 N ATOM 291 CA PHE A 77 -3.078 3.435 -3.529 1.00 0.00 C ATOM 292 C PHE A 77 -2.495 3.018 -4.833 1.00 0.00 C ATOM 293 O PHE A 77 -1.379 3.416 -5.159 1.00 0.00 O ATOM 294 CB PHE A 77 -3.124 2.196 -2.615 1.00 0.00 C ATOM 295 CG PHE A 77 -1.775 1.844 -2.065 1.00 0.00 C ATOM 296 CD1 PHE A 77 -1.038 2.750 -1.321 1.00 0.00 C ATOM 297 CD2 PHE A 77 -1.270 0.568 -2.250 1.00 0.00 C ATOM 298 CE1 PHE A 77 0.181 2.389 -0.781 1.00 0.00 C ATOM 299 CE2 PHE A 77 -0.059 0.199 -1.700 1.00 0.00 C ATOM 300 CZ PHE A 77 0.670 1.112 -0.969 1.00 0.00 C ATOM 0 H PHE A 77 -5.130 3.429 -3.314 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.499 4.209 -3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.813 2.381 -1.791 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.518 1.348 -3.176 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.420 3.748 -1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.831 -0.148 -2.832 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.752 3.107 -0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.317 -0.804 -1.842 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.622 0.829 -0.544 1.00 0.00 H new ATOM 310 N ILE A 78 -3.298 2.247 -5.605 1.00 0.00 N ATOM 311 CA ILE A 78 -2.943 1.652 -6.867 1.00 0.00 C ATOM 312 C ILE A 78 -2.486 2.711 -7.816 1.00 0.00 C ATOM 313 O ILE A 78 -1.526 2.494 -8.554 1.00 0.00 O ATOM 314 CB ILE A 78 -4.071 0.831 -7.486 1.00 0.00 C ATOM 315 CG1 ILE A 78 -3.655 -0.647 -7.395 1.00 0.00 C ATOM 316 CG2 ILE A 78 -4.407 1.205 -8.952 1.00 0.00 C ATOM 317 CD1 ILE A 78 -4.792 -1.630 -7.680 1.00 0.00 C ATOM 0 H ILE A 78 -4.255 2.026 -5.329 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.130 0.953 -6.670 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.985 1.041 -6.931 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.844 -0.830 -8.100 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.260 -0.842 -6.398 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.219 0.573 -9.312 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.712 2.250 -9.000 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.526 1.055 -9.577 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.420 -2.651 -7.596 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.595 -1.476 -6.959 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.172 -1.464 -8.688 1.00 0.00 H new ATOM 329 N ASN A 79 -3.167 3.880 -7.809 1.00 0.00 N ATOM 330 CA ASN A 79 -2.922 4.887 -8.798 1.00 0.00 C ATOM 331 C ASN A 79 -1.583 5.451 -8.618 1.00 0.00 C ATOM 332 O ASN A 79 -0.850 5.673 -9.575 1.00 0.00 O ATOM 333 CB ASN A 79 -3.942 6.055 -8.857 1.00 0.00 C ATOM 334 CG ASN A 79 -4.025 7.171 -7.791 1.00 0.00 C ATOM 335 OD1 ASN A 79 -3.068 7.854 -7.419 1.00 0.00 O ATOM 336 ND2 ASN A 79 -5.302 7.434 -7.376 1.00 0.00 N ATOM 0 H ASN A 79 -3.881 4.123 -7.123 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.027 4.356 -9.744 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.781 6.555 -9.812 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.930 5.597 -8.899 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.482 8.213 -6.742 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.074 6.852 -7.701 1.00 0.00 H new ATOM 343 N GLY A 80 -1.275 5.691 -7.348 1.00 0.00 N ATOM 344 CA GLY A 80 -0.044 6.332 -6.985 1.00 0.00 C ATOM 345 C GLY A 80 1.140 5.433 -7.183 1.00 0.00 C ATOM 346 O GLY A 80 2.244 5.931 -7.398 1.00 0.00 O ATOM 0 H GLY A 80 -1.873 5.445 -6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.083 7.235 -7.582 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.092 6.643 -5.941 1.00 0.00 H new ATOM 350 N LEU A 81 0.966 4.096 -7.080 1.00 0.00 N ATOM 351 CA LEU A 81 2.061 3.194 -7.381 1.00 0.00 C ATOM 352 C LEU A 81 2.388 3.240 -8.832 1.00 0.00 C ATOM 353 O LEU A 81 3.546 3.121 -9.199 1.00 0.00 O ATOM 354 CB LEU A 81 1.891 1.692 -7.085 1.00 0.00 C ATOM 355 CG LEU A 81 0.909 1.391 -5.947 1.00 0.00 C ATOM 356 CD1 LEU A 81 0.621 -0.104 -5.767 1.00 0.00 C ATOM 357 CD2 LEU A 81 1.355 1.990 -4.605 1.00 0.00 C ATOM 0 H LEU A 81 0.097 3.643 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 81 2.824 3.575 -6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.549 1.190 -7.990 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.864 1.269 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.017 1.875 -6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.081 -0.243 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.189 -0.504 -6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.550 -0.629 -5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.622 1.746 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.325 1.577 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.435 3.073 -4.699 1.00 0.00 H new ATOM 369 N LYS A 82 1.364 3.380 -9.696 1.00 0.00 N ATOM 370 CA LYS A 82 1.557 3.384 -11.122 1.00 0.00 C ATOM 371 C LYS A 82 2.041 4.734 -11.546 1.00 0.00 C ATOM 372 O LYS A 82 2.596 4.887 -12.634 1.00 0.00 O ATOM 373 CB LYS A 82 0.253 3.117 -11.898 1.00 0.00 C ATOM 374 CG LYS A 82 -0.329 1.711 -11.686 1.00 0.00 C ATOM 375 CD LYS A 82 0.523 0.587 -12.288 1.00 0.00 C ATOM 376 CE LYS A 82 -0.128 -0.790 -12.128 1.00 0.00 C ATOM 377 NZ LYS A 82 0.710 -1.829 -12.765 1.00 0.00 N ATOM 0 H LYS A 82 0.392 3.492 -9.407 1.00 0.00 H new ATOM 0 HA LYS A 82 2.273 2.592 -11.344 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.492 3.855 -11.600 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.440 3.264 -12.962 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.443 1.534 -10.617 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.326 1.672 -12.124 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.688 0.787 -13.347 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.502 0.581 -11.809 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.260 -1.017 -11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.120 -0.786 -12.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.258 -2.758 -12.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.814 -1.618 -13.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.648 -1.842 -12.316 1.00 0.00 H new ATOM 391 N LYS A 83 1.850 5.744 -10.673 1.00 0.00 N ATOM 392 CA LYS A 83 2.282 7.088 -10.910 1.00 0.00 C ATOM 393 C LYS A 83 3.759 7.091 -10.683 1.00 0.00 C ATOM 394 O LYS A 83 4.507 7.803 -11.353 1.00 0.00 O ATOM 395 CB LYS A 83 1.626 8.082 -9.925 1.00 0.00 C ATOM 396 CG LYS A 83 1.749 9.557 -10.332 1.00 0.00 C ATOM 397 CD LYS A 83 0.916 9.916 -11.571 1.00 0.00 C ATOM 398 CE LYS A 83 0.886 11.420 -11.857 1.00 0.00 C ATOM 399 NZ LYS A 83 2.245 11.918 -12.163 1.00 0.00 N ATOM 0 H LYS A 83 1.381 5.620 -9.776 1.00 0.00 H new ATOM 0 HA LYS A 83 2.005 7.398 -11.918 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.570 7.832 -9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.078 7.951 -8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.436 10.184 -9.498 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.796 9.787 -10.528 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.322 9.395 -12.438 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.104 9.558 -11.432 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.221 11.623 -12.696 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.483 11.952 -10.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.196 12.924 -12.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.853 11.804 -11.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.643 11.377 -12.957 1.00 0.00 H new ATOM 413 N ALA A 84 4.198 6.248 -9.728 1.00 0.00 N ATOM 414 CA ALA A 84 5.577 6.065 -9.398 1.00 0.00 C ATOM 415 C ALA A 84 6.225 5.267 -10.490 1.00 0.00 C ATOM 416 O ALA A 84 7.358 5.546 -10.878 1.00 0.00 O ATOM 417 CB ALA A 84 5.741 5.316 -8.064 1.00 0.00 C ATOM 0 H ALA A 84 3.569 5.674 -9.167 1.00 0.00 H new ATOM 0 HA ALA A 84 6.045 7.044 -9.297 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.801 5.194 -7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.268 5.887 -7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.270 4.336 -8.137 1.00 0.00 H new ATOM 423 N GLY A 85 5.498 4.258 -11.014 1.00 0.00 N ATOM 424 CA GLY A 85 5.966 3.406 -12.070 1.00 0.00 C ATOM 425 C GLY A 85 6.527 2.187 -11.429 1.00 0.00 C ATOM 426 O GLY A 85 7.551 1.656 -11.859 1.00 0.00 O ATOM 0 H GLY A 85 4.557 4.028 -10.694 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.151 3.146 -12.746 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.725 3.912 -12.666 1.00 0.00 H new ATOM 430 N ILE A 86 5.853 1.744 -10.355 1.00 0.00 N ATOM 431 CA ILE A 86 6.317 0.694 -9.501 1.00 0.00 C ATOM 432 C ILE A 86 5.200 -0.306 -9.450 1.00 0.00 C ATOM 433 O ILE A 86 4.056 0.051 -9.173 1.00 0.00 O ATOM 434 CB ILE A 86 6.619 1.228 -8.108 1.00 0.00 C ATOM 435 CG1 ILE A 86 7.806 2.222 -8.164 1.00 0.00 C ATOM 436 CG2 ILE A 86 6.899 0.069 -7.140 1.00 0.00 C ATOM 437 CD1 ILE A 86 8.175 2.838 -6.810 1.00 0.00 C ATOM 0 H ILE A 86 4.953 2.129 -10.070 1.00 0.00 H new ATOM 0 HA ILE A 86 7.240 0.251 -9.875 1.00 0.00 H new ATOM 0 HB ILE A 86 5.748 1.767 -7.735 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.678 1.706 -8.566 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.561 3.024 -8.861 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.113 0.467 -6.148 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.026 -0.582 -7.089 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.757 -0.502 -7.495 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.015 3.521 -6.938 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.319 3.385 -6.414 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.454 2.047 -6.114 1.00 0.00 H new ATOM 449 N GLU A 87 5.519 -1.593 -9.724 1.00 0.00 N ATOM 450 CA GLU A 87 4.574 -2.666 -9.568 1.00 0.00 C ATOM 451 C GLU A 87 4.767 -3.172 -8.178 1.00 0.00 C ATOM 452 O GLU A 87 5.807 -3.746 -7.854 1.00 0.00 O ATOM 453 CB GLU A 87 4.791 -3.836 -10.545 1.00 0.00 C ATOM 454 CG GLU A 87 3.759 -4.960 -10.384 1.00 0.00 C ATOM 455 CD GLU A 87 4.042 -6.016 -11.442 1.00 0.00 C ATOM 456 OE1 GLU A 87 5.153 -6.608 -11.406 1.00 0.00 O ATOM 457 OE2 GLU A 87 3.149 -6.246 -12.301 1.00 0.00 O ATOM 0 H GLU A 87 6.437 -1.890 -10.055 1.00 0.00 H new ATOM 0 HA GLU A 87 3.573 -2.285 -9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.751 -3.459 -11.567 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.790 -4.245 -10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.822 -5.394 -9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.748 -4.568 -10.498 1.00 0.00 H new ATOM 464 N LEU A 88 3.772 -2.901 -7.311 1.00 0.00 N ATOM 465 CA LEU A 88 3.910 -3.108 -5.902 1.00 0.00 C ATOM 466 C LEU A 88 2.733 -3.953 -5.462 1.00 0.00 C ATOM 467 O LEU A 88 1.682 -3.391 -5.158 1.00 0.00 O ATOM 468 CB LEU A 88 3.937 -1.700 -5.238 1.00 0.00 C ATOM 469 CG LEU A 88 4.849 -1.456 -4.019 1.00 0.00 C ATOM 470 CD1 LEU A 88 6.294 -1.967 -4.185 1.00 0.00 C ATOM 471 CD2 LEU A 88 4.842 0.020 -3.582 1.00 0.00 C ATOM 0 H LEU A 88 2.862 -2.534 -7.591 1.00 0.00 H new ATOM 0 HA LEU A 88 4.823 -3.631 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.219 -0.981 -6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.917 -1.461 -4.937 1.00 0.00 H new ATOM 0 HG LEU A 88 4.409 -2.061 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.862 -1.753 -3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.282 -3.043 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.761 -1.467 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.497 0.147 -2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.196 0.644 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.828 0.315 -3.313 1.00 0.00 H new ATOM 483 N ASP A 89 2.883 -5.315 -5.440 1.00 0.00 N ATOM 484 CA ASP A 89 1.879 -6.279 -4.988 1.00 0.00 C ATOM 485 C ASP A 89 2.166 -7.645 -5.476 1.00 0.00 C ATOM 486 O ASP A 89 2.405 -7.890 -6.658 1.00 0.00 O ATOM 487 CB ASP A 89 0.391 -6.040 -5.373 1.00 0.00 C ATOM 488 CG ASP A 89 0.142 -5.902 -6.874 1.00 0.00 C ATOM 489 OD1 ASP A 89 0.576 -4.891 -7.485 1.00 0.00 O ATOM 490 OD2 ASP A 89 -0.517 -6.823 -7.429 1.00 0.00 O ATOM 0 H ASP A 89 3.743 -5.766 -5.751 1.00 0.00 H new ATOM 0 HA ASP A 89 1.972 -6.144 -3.910 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -0.208 -6.868 -4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.040 -5.137 -4.874 1.00 0.00 H new ATOM 495 N ARG A 90 2.096 -8.567 -4.494 1.00 0.00 N ATOM 496 CA ARG A 90 1.056 -9.552 -4.469 1.00 0.00 C ATOM 497 C ARG A 90 1.373 -10.356 -3.241 1.00 0.00 C ATOM 498 O ARG A 90 1.962 -11.435 -3.306 1.00 0.00 O ATOM 499 CB ARG A 90 1.015 -10.482 -5.709 1.00 0.00 C ATOM 500 CG ARG A 90 -0.088 -11.550 -5.716 1.00 0.00 C ATOM 501 CD ARG A 90 0.025 -12.458 -6.944 1.00 0.00 C ATOM 502 NE ARG A 90 -1.032 -13.506 -6.864 1.00 0.00 N ATOM 503 CZ ARG A 90 -1.076 -14.502 -7.796 1.00 0.00 C ATOM 504 NH1 ARG A 90 -0.170 -14.528 -8.817 1.00 0.00 N ATOM 505 NH2 ARG A 90 -2.028 -15.477 -7.708 1.00 0.00 N ATOM 0 H ARG A 90 2.758 -8.630 -3.720 1.00 0.00 H new ATOM 0 HA ARG A 90 0.078 -9.071 -4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.899 -9.863 -6.599 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.979 -10.984 -5.794 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.021 -12.151 -4.809 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.065 -11.067 -5.707 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.090 -11.874 -7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.012 -12.919 -6.983 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.722 -13.479 -6.113 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.543 -13.802 -8.885 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.206 -15.274 -9.512 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.706 -15.461 -6.946 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.061 -16.222 -8.404 1.00 0.00 H new ATOM 519 N LYS A 91 0.968 -9.803 -2.081 1.00 0.00 N ATOM 520 CA LYS A 91 0.840 -10.459 -0.827 1.00 0.00 C ATOM 521 C LYS A 91 2.125 -10.715 -0.129 1.00 0.00 C ATOM 522 O LYS A 91 2.508 -11.854 0.135 1.00 0.00 O ATOM 523 CB LYS A 91 -0.156 -11.609 -0.940 1.00 0.00 C ATOM 524 CG LYS A 91 -0.922 -11.892 0.347 1.00 0.00 C ATOM 525 CD LYS A 91 -2.188 -12.737 0.132 1.00 0.00 C ATOM 526 CE LYS A 91 -3.207 -12.086 -0.817 1.00 0.00 C ATOM 527 NZ LYS A 91 -4.544 -12.688 -0.632 1.00 0.00 N ATOM 0 H LYS A 91 0.711 -8.817 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 91 0.393 -9.772 -0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.869 -11.383 -1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.378 -12.511 -1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.264 -12.408 1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.200 -10.946 0.811 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.902 -13.710 -0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.664 -12.915 1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.255 -11.014 -0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.884 -12.214 -1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.221 -12.237 -1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.497 -13.707 -0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.857 -12.544 0.349 1.00 0.00 H new ATOM 541 N ILE A 92 2.810 -9.587 0.173 1.00 0.00 N ATOM 542 CA ILE A 92 4.140 -9.549 0.714 1.00 0.00 C ATOM 543 C ILE A 92 4.294 -8.268 1.520 1.00 0.00 C ATOM 544 O ILE A 92 5.022 -8.234 2.507 1.00 0.00 O ATOM 545 CB ILE A 92 5.199 -9.507 -0.381 1.00 0.00 C ATOM 546 CG1 ILE A 92 4.949 -10.535 -1.518 1.00 0.00 C ATOM 547 CG2 ILE A 92 6.607 -9.638 0.237 1.00 0.00 C ATOM 548 CD1 ILE A 92 6.078 -10.678 -2.543 1.00 0.00 C ATOM 0 H ILE A 92 2.415 -8.657 0.032 1.00 0.00 H new ATOM 0 HA ILE A 92 4.278 -10.447 1.316 1.00 0.00 H new ATOM 0 HB ILE A 92 5.128 -8.534 -0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 92 4.766 -11.511 -1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.038 -10.252 -2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.356 -9.607 -0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.778 -8.815 0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.683 -10.585 0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.799 -11.420 -3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.250 -9.719 -3.031 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.990 -10.997 -2.038 1.00 0.00 H new ATOM 560 N LEU A 93 3.647 -7.152 1.118 1.00 0.00 N ATOM 561 CA LEU A 93 3.839 -5.886 1.797 1.00 0.00 C ATOM 562 C LEU A 93 2.564 -5.643 2.475 1.00 0.00 C ATOM 563 O LEU A 93 2.458 -4.943 3.468 1.00 0.00 O ATOM 564 CB LEU A 93 3.846 -4.773 0.799 1.00 0.00 C ATOM 565 CG LEU A 93 3.394 -3.334 1.162 1.00 0.00 C ATOM 566 CD1 LEU A 93 4.209 -2.308 0.376 1.00 0.00 C ATOM 567 CD2 LEU A 93 1.888 -3.049 1.000 1.00 0.00 C ATOM 0 H LEU A 93 2.997 -7.118 0.333 1.00 0.00 H new ATOM 0 HA LEU A 93 4.742 -5.919 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.866 -4.695 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.223 -5.096 -0.035 1.00 0.00 H new ATOM 0 HG LEU A 93 3.585 -3.245 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.881 -1.303 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.266 -2.420 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.062 -2.468 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.681 -2.016 1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.597 -3.209 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.319 -3.720 1.644 1.00 0.00 H new ATOM 579 N ALA A 94 1.553 -6.226 1.846 1.00 0.00 N ATOM 580 CA ALA A 94 0.308 -6.694 2.296 1.00 0.00 C ATOM 581 C ALA A 94 0.289 -7.066 3.707 1.00 0.00 C ATOM 582 O ALA A 94 -0.615 -6.736 4.474 1.00 0.00 O ATOM 583 CB ALA A 94 0.261 -8.015 1.557 1.00 0.00 C ATOM 0 H ALA A 94 1.635 -6.394 0.843 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.478 -5.953 2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.668 -8.532 1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.310 -7.833 0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 94 1.107 -8.632 1.860 1.00 0.00 H new ATOM 589 N ASP A 95 1.330 -7.823 4.026 1.00 0.00 N ATOM 590 CA ASP A 95 1.480 -8.459 5.247 1.00 0.00 C ATOM 591 C ASP A 95 1.956 -7.391 6.122 1.00 0.00 C ATOM 592 O ASP A 95 1.408 -7.171 7.196 1.00 0.00 O ATOM 593 CB ASP A 95 2.386 -9.698 5.080 1.00 0.00 C ATOM 594 CG ASP A 95 3.883 -9.647 4.748 1.00 0.00 C ATOM 595 OD1 ASP A 95 4.664 -8.868 5.347 1.00 0.00 O ATOM 596 OD2 ASP A 95 4.273 -10.514 3.916 1.00 0.00 O ATOM 0 H ASP A 95 2.105 -7.993 3.385 1.00 0.00 H new ATOM 0 HA ASP A 95 0.581 -8.893 5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.303 -10.259 6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.925 -10.305 4.300 1.00 0.00 H new ATOM 601 N MET A 96 2.945 -6.659 5.602 1.00 0.00 N ATOM 602 CA MET A 96 3.594 -5.572 6.299 1.00 0.00 C ATOM 603 C MET A 96 2.653 -4.421 6.567 1.00 0.00 C ATOM 604 O MET A 96 2.960 -3.544 7.360 1.00 0.00 O ATOM 605 CB MET A 96 4.921 -5.179 5.611 1.00 0.00 C ATOM 606 CG MET A 96 5.201 -3.746 5.154 1.00 0.00 C ATOM 607 SD MET A 96 6.469 -3.849 3.849 1.00 0.00 S ATOM 608 CE MET A 96 6.426 -2.184 3.142 1.00 0.00 C ATOM 0 H MET A 96 3.316 -6.818 4.665 1.00 0.00 H new ATOM 0 HA MET A 96 3.877 -5.922 7.292 1.00 0.00 H new ATOM 0 HB2 MET A 96 5.724 -5.454 6.295 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.020 -5.815 4.731 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.293 -3.277 4.775 1.00 0.00 H new ATOM 0 HG3 MET A 96 5.552 -3.136 5.987 1.00 0.00 H new ATOM 0 HE1 MET A 96 6.897 -2.194 2.159 1.00 0.00 H new ATOM 0 HE2 MET A 96 5.391 -1.856 3.046 1.00 0.00 H new ATOM 0 HE3 MET A 96 6.965 -1.497 3.795 1.00 0.00 H new ATOM 618 N ALA A 97 1.445 -4.408 5.969 1.00 0.00 N ATOM 619 CA ALA A 97 0.482 -3.373 6.206 1.00 0.00 C ATOM 620 C ALA A 97 -0.045 -3.522 7.592 1.00 0.00 C ATOM 621 O ALA A 97 -0.383 -2.541 8.252 1.00 0.00 O ATOM 622 CB ALA A 97 -0.699 -3.420 5.228 1.00 0.00 C ATOM 0 H ALA A 97 1.133 -5.124 5.313 1.00 0.00 H new ATOM 0 HA ALA A 97 0.988 -2.418 6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.394 -2.612 5.458 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.332 -3.304 4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.212 -4.377 5.322 1.00 0.00 H new ATOM 628 N VAL A 98 -0.098 -4.781 8.052 1.00 0.00 N ATOM 629 CA VAL A 98 -0.616 -5.129 9.336 1.00 0.00 C ATOM 630 C VAL A 98 0.541 -5.223 10.288 1.00 0.00 C ATOM 631 O VAL A 98 0.528 -4.604 11.352 1.00 0.00 O ATOM 632 CB VAL A 98 -1.342 -6.460 9.310 1.00 0.00 C ATOM 633 CG1 VAL A 98 -2.081 -6.656 10.648 1.00 0.00 C ATOM 634 CG2 VAL A 98 -2.310 -6.479 8.109 1.00 0.00 C ATOM 0 H VAL A 98 0.230 -5.583 7.514 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.332 -4.367 9.645 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.640 -7.285 9.191 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.606 -7.611 10.637 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.361 -6.647 11.466 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.800 -5.849 10.788 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.837 -7.433 8.082 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.032 -5.668 8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.746 -6.349 7.185 1.00 0.00 H new ATOM 644 N ARG A 99 1.558 -6.034 9.925 1.00 0.00 N ATOM 645 CA ARG A 99 2.504 -6.553 10.874 1.00 0.00 C ATOM 646 C ARG A 99 3.712 -5.680 11.027 1.00 0.00 C ATOM 647 O ARG A 99 4.284 -5.613 12.114 1.00 0.00 O ATOM 648 CB ARG A 99 2.928 -8.000 10.538 1.00 0.00 C ATOM 649 CG ARG A 99 3.634 -8.232 9.193 1.00 0.00 C ATOM 650 CD ARG A 99 3.104 -9.433 8.387 1.00 0.00 C ATOM 651 NE ARG A 99 3.285 -10.673 9.199 1.00 0.00 N ATOM 652 CZ ARG A 99 2.500 -11.777 9.020 1.00 0.00 C ATOM 653 NH1 ARG A 99 1.505 -11.787 8.090 1.00 0.00 N ATOM 654 NH2 ARG A 99 2.720 -12.889 9.785 1.00 0.00 N ATOM 0 H ARG A 99 1.726 -6.333 8.964 1.00 0.00 H new ATOM 0 HA ARG A 99 1.983 -6.562 11.831 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.589 -8.351 11.331 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.037 -8.628 10.564 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.535 -7.332 8.586 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.699 -8.377 9.377 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.051 -9.290 8.145 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.639 -9.519 7.441 1.00 0.00 H new ATOM 0 HE ARG A 99 4.017 -10.697 9.909 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.337 -10.962 7.514 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.928 -12.620 7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.465 -12.889 10.482 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.139 -13.718 9.659 1.00 0.00 H new ATOM 668 N ASP A 100 4.107 -4.978 9.948 1.00 0.00 N ATOM 669 CA ASP A 100 5.187 -4.022 9.967 1.00 0.00 C ATOM 670 C ASP A 100 4.712 -2.672 9.487 1.00 0.00 C ATOM 671 O ASP A 100 5.109 -2.250 8.406 1.00 0.00 O ATOM 672 CB ASP A 100 6.319 -4.473 9.033 1.00 0.00 C ATOM 673 CG ASP A 100 7.663 -3.928 9.505 1.00 0.00 C ATOM 674 OD1 ASP A 100 7.825 -2.683 9.590 1.00 0.00 O ATOM 675 OD2 ASP A 100 8.556 -4.769 9.792 1.00 0.00 O ATOM 0 H ASP A 100 3.666 -5.074 9.033 1.00 0.00 H new ATOM 0 HA ASP A 100 5.544 -3.954 10.995 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.355 -5.562 8.998 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.118 -4.128 8.019 1.00 0.00 H new ATOM 680 N PRO A 101 3.885 -1.938 10.192 1.00 0.00 N ATOM 681 CA PRO A 101 3.265 -0.734 9.704 1.00 0.00 C ATOM 682 C PRO A 101 4.244 0.400 9.750 1.00 0.00 C ATOM 683 O PRO A 101 3.867 1.503 9.367 1.00 0.00 O ATOM 684 CB PRO A 101 2.110 -0.484 10.675 1.00 0.00 C ATOM 685 CG PRO A 101 2.558 -1.148 11.979 1.00 0.00 C ATOM 686 CD PRO A 101 3.403 -2.321 11.492 1.00 0.00 C ATOM 0 HA PRO A 101 2.927 -0.820 8.671 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.931 0.582 10.813 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.180 -0.918 10.307 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.136 -0.465 12.602 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.709 -1.482 12.575 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.230 -2.518 12.174 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.811 -3.234 11.437 1.00 0.00 H new ATOM 694 N GLN A 102 5.492 0.160 10.195 1.00 0.00 N ATOM 695 CA GLN A 102 6.537 1.130 10.120 1.00 0.00 C ATOM 696 C GLN A 102 6.992 1.166 8.696 1.00 0.00 C ATOM 697 O GLN A 102 7.225 2.240 8.146 1.00 0.00 O ATOM 698 CB GLN A 102 7.737 0.740 11.006 1.00 0.00 C ATOM 699 CG GLN A 102 8.872 1.771 11.007 1.00 0.00 C ATOM 700 CD GLN A 102 9.943 1.297 11.988 1.00 0.00 C ATOM 701 OE1 GLN A 102 10.143 1.898 13.050 1.00 0.00 O ATOM 702 NE2 GLN A 102 10.643 0.185 11.606 1.00 0.00 N ATOM 0 H GLN A 102 5.778 -0.725 10.614 1.00 0.00 H new ATOM 0 HA GLN A 102 6.165 2.094 10.465 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.389 0.597 12.029 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.130 -0.218 10.666 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.292 1.876 10.007 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.495 2.751 11.299 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.433 -0.269 10.717 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.374 -0.190 12.210 1.00 0.00 H new ATOM 711 N ALA A 103 7.116 -0.023 8.063 1.00 0.00 N ATOM 712 CA ALA A 103 7.658 -0.126 6.745 1.00 0.00 C ATOM 713 C ALA A 103 6.538 0.143 5.806 1.00 0.00 C ATOM 714 O ALA A 103 6.727 0.833 4.800 1.00 0.00 O ATOM 715 CB ALA A 103 8.235 -1.517 6.445 1.00 0.00 C ATOM 0 H ALA A 103 6.837 -0.915 8.472 1.00 0.00 H new ATOM 0 HA ALA A 103 8.480 0.583 6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.632 -1.535 5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.035 -1.739 7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.448 -2.265 6.540 1.00 0.00 H new ATOM 721 N PHE A 104 5.329 -0.386 6.119 1.00 0.00 N ATOM 722 CA PHE A 104 4.199 0.018 5.315 1.00 0.00 C ATOM 723 C PHE A 104 4.002 1.509 5.256 1.00 0.00 C ATOM 724 O PHE A 104 3.701 2.030 4.186 1.00 0.00 O ATOM 725 CB PHE A 104 2.861 -0.564 5.767 1.00 0.00 C ATOM 726 CG PHE A 104 1.771 -0.237 4.790 1.00 0.00 C ATOM 727 CD1 PHE A 104 1.909 -0.470 3.431 1.00 0.00 C ATOM 728 CD2 PHE A 104 0.573 0.276 5.255 1.00 0.00 C ATOM 729 CE1 PHE A 104 0.890 -0.159 2.556 1.00 0.00 C ATOM 730 CE2 PHE A 104 -0.460 0.551 4.380 1.00 0.00 C ATOM 731 CZ PHE A 104 -0.301 0.343 3.027 1.00 0.00 C ATOM 0 H PHE A 104 5.138 -1.046 6.872 1.00 0.00 H new ATOM 0 HA PHE A 104 4.469 -0.379 4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 104 2.948 -1.646 5.871 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.603 -0.169 6.750 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.825 -0.900 3.053 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.444 0.463 6.311 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.027 -0.310 1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.397 0.931 4.758 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.104 0.572 2.342 1.00 0.00 H new ATOM 741 N GLU A 105 4.183 2.242 6.377 1.00 0.00 N ATOM 742 CA GLU A 105 3.993 3.669 6.358 1.00 0.00 C ATOM 743 C GLU A 105 5.031 4.365 5.534 1.00 0.00 C ATOM 744 O GLU A 105 4.766 5.450 5.029 1.00 0.00 O ATOM 745 CB GLU A 105 4.038 4.335 7.746 1.00 0.00 C ATOM 746 CG GLU A 105 2.685 4.323 8.475 1.00 0.00 C ATOM 747 CD GLU A 105 1.709 5.326 7.861 1.00 0.00 C ATOM 748 OE1 GLU A 105 2.101 6.079 6.931 1.00 0.00 O ATOM 749 OE2 GLU A 105 0.543 5.353 8.337 1.00 0.00 O ATOM 0 H GLU A 105 4.456 1.857 7.281 1.00 0.00 H new ATOM 0 HA GLU A 105 2.995 3.779 5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.778 3.824 8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.373 5.366 7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.256 3.322 8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.836 4.559 9.528 1.00 0.00 H new ATOM 756 N GLN A 106 6.225 3.767 5.357 1.00 0.00 N ATOM 757 CA GLN A 106 7.243 4.357 4.531 1.00 0.00 C ATOM 758 C GLN A 106 6.865 4.275 3.088 1.00 0.00 C ATOM 759 O GLN A 106 7.151 5.199 2.327 1.00 0.00 O ATOM 760 CB GLN A 106 8.601 3.641 4.628 1.00 0.00 C ATOM 761 CG GLN A 106 9.382 3.951 5.911 1.00 0.00 C ATOM 762 CD GLN A 106 9.700 5.445 5.962 1.00 0.00 C ATOM 763 OE1 GLN A 106 10.395 5.983 5.092 1.00 0.00 O ATOM 764 NE2 GLN A 106 9.167 6.120 7.026 1.00 0.00 N ATOM 0 H GLN A 106 6.488 2.878 5.783 1.00 0.00 H new ATOM 0 HA GLN A 106 7.329 5.382 4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.438 2.565 4.566 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.210 3.921 3.768 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.798 3.662 6.785 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.304 3.370 5.938 1.00 0.00 H new ATOM 0 HE21 GLN A 106 8.601 5.623 7.713 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.336 7.120 7.132 1.00 0.00 H new ATOM 773 N VAL A 107 6.217 3.164 2.683 1.00 0.00 N ATOM 774 CA VAL A 107 5.794 2.980 1.311 1.00 0.00 C ATOM 775 C VAL A 107 4.722 3.975 1.015 1.00 0.00 C ATOM 776 O VAL A 107 4.702 4.569 -0.061 1.00 0.00 O ATOM 777 CB VAL A 107 5.262 1.591 1.012 1.00 0.00 C ATOM 778 CG1 VAL A 107 4.462 1.563 -0.308 1.00 0.00 C ATOM 779 CG2 VAL A 107 6.472 0.652 0.909 1.00 0.00 C ATOM 0 H VAL A 107 5.982 2.388 3.301 1.00 0.00 H new ATOM 0 HA VAL A 107 6.675 3.118 0.684 1.00 0.00 H new ATOM 0 HB VAL A 107 4.583 1.278 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.096 0.553 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.617 2.247 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.107 1.869 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.130 -0.360 0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 107 7.128 0.991 0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.018 0.658 1.852 1.00 0.00 H new ATOM 789 N VAL A 108 3.816 4.172 1.984 1.00 0.00 N ATOM 790 CA VAL A 108 2.700 5.062 1.873 1.00 0.00 C ATOM 791 C VAL A 108 3.190 6.462 1.672 1.00 0.00 C ATOM 792 O VAL A 108 2.657 7.178 0.828 1.00 0.00 O ATOM 793 CB VAL A 108 1.852 4.967 3.120 1.00 0.00 C ATOM 794 CG1 VAL A 108 0.949 6.195 3.303 1.00 0.00 C ATOM 795 CG2 VAL A 108 1.036 3.670 3.017 1.00 0.00 C ATOM 0 H VAL A 108 3.860 3.693 2.883 1.00 0.00 H new ATOM 0 HA VAL A 108 2.090 4.782 1.014 1.00 0.00 H new ATOM 0 HB VAL A 108 2.490 4.946 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.359 6.080 4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.565 7.091 3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.281 6.287 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.408 3.564 3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.407 3.706 2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.713 2.819 2.948 1.00 0.00 H new ATOM 805 N ASN A 109 4.225 6.877 2.426 1.00 0.00 N ATOM 806 CA ASN A 109 4.743 8.218 2.335 1.00 0.00 C ATOM 807 C ASN A 109 5.360 8.440 0.991 1.00 0.00 C ATOM 808 O ASN A 109 5.248 9.530 0.437 1.00 0.00 O ATOM 809 CB ASN A 109 5.861 8.536 3.351 1.00 0.00 C ATOM 810 CG ASN A 109 5.346 8.471 4.792 1.00 0.00 C ATOM 811 OD1 ASN A 109 6.057 7.993 5.686 1.00 0.00 O ATOM 812 ND2 ASN A 109 4.097 8.979 5.017 1.00 0.00 N ATOM 0 H ASN A 109 4.708 6.286 3.102 1.00 0.00 H new ATOM 0 HA ASN A 109 3.882 8.857 2.532 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.681 7.829 3.224 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.263 9.529 3.152 1.00 0.00 H new ATOM 0 HD21 ASN A 109 3.708 8.976 5.960 1.00 0.00 H new ATOM 0 HD22 ASN A 109 3.555 9.361 4.242 1.00 0.00 H new ATOM 819 N LYS A 110 6.025 7.401 0.445 1.00 0.00 N ATOM 820 CA LYS A 110 6.748 7.484 -0.793 1.00 0.00 C ATOM 821 C LYS A 110 5.806 7.590 -1.958 1.00 0.00 C ATOM 822 O LYS A 110 6.145 8.200 -2.966 1.00 0.00 O ATOM 823 CB LYS A 110 7.632 6.235 -0.998 1.00 0.00 C ATOM 824 CG LYS A 110 8.582 6.314 -2.201 1.00 0.00 C ATOM 825 CD LYS A 110 9.495 5.085 -2.306 1.00 0.00 C ATOM 826 CE LYS A 110 10.402 5.107 -3.541 1.00 0.00 C ATOM 827 NZ LYS A 110 11.315 6.269 -3.493 1.00 0.00 N ATOM 0 H LYS A 110 6.061 6.477 0.876 1.00 0.00 H new ATOM 0 HA LYS A 110 7.373 8.376 -0.741 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.222 6.072 -0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.986 5.365 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.998 6.409 -3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.194 7.212 -2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 110 10.114 5.023 -1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.880 4.185 -2.331 1.00 0.00 H new ATOM 0 HE2 LYS A 110 10.980 4.185 -3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.794 5.152 -4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 12.011 6.196 -4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.767 7.146 -3.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 11.810 6.284 -2.579 1.00 0.00 H new ATOM 841 N VAL A 111 4.609 6.984 -1.848 1.00 0.00 N ATOM 842 CA VAL A 111 3.631 6.921 -2.902 1.00 0.00 C ATOM 843 C VAL A 111 2.756 8.104 -2.855 1.00 0.00 C ATOM 844 O VAL A 111 2.184 8.468 -3.876 1.00 0.00 O ATOM 845 CB VAL A 111 2.835 5.625 -2.779 1.00 0.00 C ATOM 846 CG1 VAL A 111 1.453 5.661 -3.452 1.00 0.00 C ATOM 847 CG2 VAL A 111 3.678 4.507 -3.411 1.00 0.00 C ATOM 0 H VAL A 111 4.306 6.518 -0.993 1.00 0.00 H new ATOM 0 HA VAL A 111 4.131 6.923 -3.870 1.00 0.00 H new ATOM 0 HB VAL A 111 2.639 5.460 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.957 4.700 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.849 6.448 -3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.572 5.860 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.140 3.562 -3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.866 4.741 -4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.627 4.424 -2.882 1.00 0.00 H new ATOM 857 N LYS A 112 2.664 8.782 -1.703 1.00 0.00 N ATOM 858 CA LYS A 112 1.871 9.972 -1.655 1.00 0.00 C ATOM 859 C LYS A 112 2.753 11.093 -2.055 1.00 0.00 C ATOM 860 O LYS A 112 2.282 12.201 -2.250 1.00 0.00 O ATOM 861 CB LYS A 112 1.231 10.226 -0.282 1.00 0.00 C ATOM 862 CG LYS A 112 -0.193 9.643 -0.203 1.00 0.00 C ATOM 863 CD LYS A 112 -0.294 8.160 -0.605 1.00 0.00 C ATOM 864 CE LYS A 112 -1.723 7.615 -0.609 1.00 0.00 C ATOM 865 NZ LYS A 112 -2.529 8.291 -1.650 1.00 0.00 N ATOM 0 H LYS A 112 3.121 8.521 -0.829 1.00 0.00 H new ATOM 0 HA LYS A 112 1.026 9.868 -2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 112 1.851 9.781 0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 112 1.197 11.298 -0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.564 9.757 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -0.849 10.228 -0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.136 8.033 -1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.309 7.566 0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -1.709 6.540 -0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -2.180 7.766 0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -3.313 7.671 -1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -2.912 9.180 -1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -1.929 8.498 -2.474 1.00 0.00 H new ATOM 879 N GLU A 113 4.054 10.820 -2.237 1.00 0.00 N ATOM 880 CA GLU A 113 4.983 11.802 -2.689 1.00 0.00 C ATOM 881 C GLU A 113 5.191 11.595 -4.141 1.00 0.00 C ATOM 882 O GLU A 113 5.523 12.509 -4.894 1.00 0.00 O ATOM 883 CB GLU A 113 6.343 11.515 -2.076 1.00 0.00 C ATOM 884 CG GLU A 113 7.384 12.594 -2.355 1.00 0.00 C ATOM 885 CD GLU A 113 8.606 12.300 -1.502 1.00 0.00 C ATOM 886 OE1 GLU A 113 9.188 11.193 -1.663 1.00 0.00 O ATOM 887 OE2 GLU A 113 8.973 13.175 -0.672 1.00 0.00 O ATOM 0 H GLU A 113 4.467 9.903 -2.068 1.00 0.00 H new ATOM 0 HA GLU A 113 4.609 12.794 -2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 113 6.229 11.404 -0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 113 6.710 10.562 -2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 113 7.650 12.602 -3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 113 6.983 13.580 -2.120 1.00 0.00 H new ATOM 894 N ALA A 114 4.998 10.337 -4.552 1.00 0.00 N ATOM 895 CA ALA A 114 5.218 9.947 -5.924 1.00 0.00 C ATOM 896 C ALA A 114 4.009 10.346 -6.694 1.00 0.00 C ATOM 897 O ALA A 114 4.056 10.606 -7.895 1.00 0.00 O ATOM 898 CB ALA A 114 5.378 8.437 -6.131 1.00 0.00 C ATOM 0 H ALA A 114 4.689 9.580 -3.943 1.00 0.00 H new ATOM 0 HA ALA A 114 6.143 10.427 -6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.539 8.230 -7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.233 8.080 -5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.476 7.926 -5.795 1.00 0.00 H new ATOM 904 N LEU A 115 2.894 10.418 -5.956 1.00 0.00 N ATOM 905 CA LEU A 115 1.630 10.885 -6.425 1.00 0.00 C ATOM 906 C LEU A 115 1.714 12.352 -6.262 1.00 0.00 C ATOM 907 O LEU A 115 1.201 13.112 -7.085 1.00 0.00 O ATOM 908 CB LEU A 115 0.476 10.288 -5.617 1.00 0.00 C ATOM 909 CG LEU A 115 -0.884 10.822 -6.063 1.00 0.00 C ATOM 910 CD1 LEU A 115 -1.218 10.529 -7.539 1.00 0.00 C ATOM 911 CD2 LEU A 115 -1.995 10.318 -5.126 1.00 0.00 C ATOM 0 H LEU A 115 2.872 10.135 -4.976 1.00 0.00 H new ATOM 0 HA LEU A 115 1.429 10.592 -7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 115 0.488 9.203 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.622 10.511 -4.560 1.00 0.00 H new ATOM 0 HG LEU A 115 -0.823 11.908 -5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.199 10.940 -7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.466 10.988 -8.180 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.226 9.451 -7.703 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -2.957 10.708 -5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.020 9.228 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.797 10.660 -4.110 1.00 0.00 H new