USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 617 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 33 THR OG1 : rot -61:sc= 2.1 USER MOD Set 1.2: A 35 THR OG1 : rot 38:sc= 0.351 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.139 X(o=1.1,f=1.2) USER MOD Set 2.2: A 17 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -150:sc= -0.0135 USER MOD Single : A 26 SER OG : rot -160:sc= 0 USER MOD Single : A 37 THR OG1 : rot -160:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0506 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.022 USER MOD Single : A 47 GLN : amide:sc= -0.243 K(o=-0.24,f=-1.8!) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 72:sc= 1.16 USER MOD Single : A 65 GLN : amide:sc= -0.714 K(o=-0.71,f=-2.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 170:sc= -0.0198 (180deg=-0.148) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 1.424 -12.257 0.902 1.00 0.00 N ATOM 67 CA PHE A 8 1.940 -10.904 1.089 1.00 0.00 C ATOM 68 C PHE A 8 0.827 -9.865 1.097 1.00 0.00 C ATOM 69 O PHE A 8 0.768 -9.033 1.997 1.00 0.00 O ATOM 70 CB PHE A 8 2.944 -10.578 -0.027 1.00 0.00 C ATOM 71 CG PHE A 8 3.427 -9.140 -0.022 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.267 -8.680 1.008 1.00 0.00 C ATOM 73 CD2 PHE A 8 3.036 -8.256 -1.046 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.709 -7.347 1.012 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.496 -6.929 -1.046 1.00 0.00 C ATOM 76 CZ PHE A 8 4.319 -6.469 -0.008 1.00 0.00 C ATOM 0 HA PHE A 8 2.433 -10.867 2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.805 -11.240 0.068 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.482 -10.792 -0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.572 -9.352 1.796 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.381 -8.599 -1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.353 -6.997 1.805 1.00 0.00 H new ATOM 0 HE2 PHE A 8 3.215 -6.261 -1.847 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.651 -5.441 0.005 1.00 0.00 H new ATOM 86 N LYS A 9 -0.058 -9.909 0.094 1.00 0.00 N ATOM 87 CA LYS A 9 -1.111 -8.914 -0.053 1.00 0.00 C ATOM 88 C LYS A 9 -1.982 -8.866 1.201 1.00 0.00 C ATOM 89 O LYS A 9 -2.358 -7.775 1.613 1.00 0.00 O ATOM 90 CB LYS A 9 -1.920 -9.196 -1.340 1.00 0.00 C ATOM 91 CG LYS A 9 -3.121 -8.252 -1.548 1.00 0.00 C ATOM 92 CD LYS A 9 -3.889 -8.515 -2.858 1.00 0.00 C ATOM 93 CE LYS A 9 -3.186 -7.894 -4.071 1.00 0.00 C ATOM 94 NZ LYS A 9 -3.926 -8.098 -5.337 1.00 0.00 N ATOM 0 H LYS A 9 -0.060 -10.629 -0.628 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.671 -7.922 -0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.255 -9.115 -2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.280 -10.224 -1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.806 -8.358 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.768 -7.221 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.991 -9.590 -3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.897 -8.108 -2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.056 -6.825 -3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.189 -8.325 -4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.403 -7.657 -6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.028 -9.117 -5.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.868 -7.664 -5.262 1.00 0.00 H new ATOM 108 N ALA A 10 -2.276 -10.009 1.823 1.00 0.00 N ATOM 109 CA ALA A 10 -3.088 -10.069 3.027 1.00 0.00 C ATOM 110 C ALA A 10 -2.357 -9.493 4.229 1.00 0.00 C ATOM 111 O ALA A 10 -2.965 -8.744 4.989 1.00 0.00 O ATOM 112 CB ALA A 10 -3.478 -11.519 3.298 1.00 0.00 C ATOM 0 H ALA A 10 -1.953 -10.921 1.499 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.981 -9.465 2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.087 -11.569 4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.048 -11.906 2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.578 -12.119 3.434 1.00 0.00 H new ATOM 118 N GLU A 11 -1.089 -9.847 4.443 1.00 0.00 N ATOM 119 CA GLU A 11 -0.314 -9.302 5.558 1.00 0.00 C ATOM 120 C GLU A 11 -0.268 -7.778 5.450 1.00 0.00 C ATOM 121 O GLU A 11 -0.544 -7.056 6.412 1.00 0.00 O ATOM 122 CB GLU A 11 1.119 -9.852 5.524 1.00 0.00 C ATOM 123 CG GLU A 11 1.303 -11.264 6.076 1.00 0.00 C ATOM 124 CD GLU A 11 0.734 -11.413 7.492 1.00 0.00 C ATOM 125 OE1 GLU A 11 1.234 -10.758 8.438 1.00 0.00 O ATOM 126 OE2 GLU A 11 -0.266 -12.149 7.647 1.00 0.00 O ATOM 0 H GLU A 11 -0.577 -10.508 3.859 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.789 -9.594 6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.469 -9.837 4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.761 -9.175 6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.814 -11.978 5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.364 -11.513 6.085 1.00 0.00 H new ATOM 133 N LEU A 12 0.067 -7.309 4.248 1.00 0.00 N ATOM 134 CA LEU A 12 0.240 -5.912 3.913 1.00 0.00 C ATOM 135 C LEU A 12 -1.077 -5.147 4.018 1.00 0.00 C ATOM 136 O LEU A 12 -1.079 -4.032 4.530 1.00 0.00 O ATOM 137 CB LEU A 12 0.809 -5.833 2.494 1.00 0.00 C ATOM 138 CG LEU A 12 1.351 -4.434 2.167 1.00 0.00 C ATOM 139 CD1 LEU A 12 2.704 -4.163 2.836 1.00 0.00 C ATOM 140 CD2 LEU A 12 1.478 -4.312 0.654 1.00 0.00 C ATOM 0 H LEU A 12 0.230 -7.926 3.453 1.00 0.00 H new ATOM 0 HA LEU A 12 0.928 -5.447 4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.608 -6.566 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.032 -6.097 1.777 1.00 0.00 H new ATOM 0 HG LEU A 12 0.655 -3.691 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.045 -3.161 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.596 -4.239 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.433 -4.896 2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.862 -3.324 0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.164 -5.074 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.499 -4.450 0.194 1.00 0.00 H new ATOM 152 N ASN A 13 -2.187 -5.730 3.549 1.00 0.00 N ATOM 153 CA ASN A 13 -3.519 -5.138 3.648 1.00 0.00 C ATOM 154 C ASN A 13 -3.840 -4.857 5.098 1.00 0.00 C ATOM 155 O ASN A 13 -4.263 -3.754 5.418 1.00 0.00 O ATOM 156 CB ASN A 13 -4.595 -6.067 3.072 1.00 0.00 C ATOM 157 CG ASN A 13 -5.975 -5.421 3.143 1.00 0.00 C ATOM 158 OD1 ASN A 13 -6.399 -4.778 2.190 1.00 0.00 O ATOM 159 ND2 ASN A 13 -6.707 -5.571 4.234 1.00 0.00 N ATOM 0 H ASN A 13 -2.181 -6.638 3.085 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.517 -4.214 3.070 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.356 -6.307 2.036 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.601 -7.007 3.624 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.634 -5.149 4.288 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.344 -6.108 5.022 1.00 0.00 H new ATOM 166 N GLU A 14 -3.659 -5.843 5.975 1.00 0.00 N ATOM 167 CA GLU A 14 -3.962 -5.658 7.394 1.00 0.00 C ATOM 168 C GLU A 14 -3.070 -4.597 8.039 1.00 0.00 C ATOM 169 O GLU A 14 -3.572 -3.748 8.778 1.00 0.00 O ATOM 170 CB GLU A 14 -3.855 -6.983 8.158 1.00 0.00 C ATOM 171 CG GLU A 14 -4.789 -8.088 7.653 1.00 0.00 C ATOM 172 CD GLU A 14 -6.264 -7.840 7.894 1.00 0.00 C ATOM 173 OE1 GLU A 14 -6.761 -6.728 7.629 1.00 0.00 O ATOM 174 OE2 GLU A 14 -6.954 -8.779 8.354 1.00 0.00 O ATOM 0 H GLU A 14 -3.308 -6.769 5.732 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.991 -5.303 7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.827 -7.339 8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.068 -6.798 9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.628 -8.218 6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.511 -9.026 8.133 1.00 0.00 H new ATOM 181 N PHE A 15 -1.772 -4.614 7.721 1.00 0.00 N ATOM 182 CA PHE A 15 -0.808 -3.633 8.205 1.00 0.00 C ATOM 183 C PHE A 15 -1.281 -2.226 7.829 1.00 0.00 C ATOM 184 O PHE A 15 -1.390 -1.356 8.693 1.00 0.00 O ATOM 185 CB PHE A 15 0.592 -3.959 7.644 1.00 0.00 C ATOM 186 CG PHE A 15 1.558 -2.790 7.661 1.00 0.00 C ATOM 187 CD1 PHE A 15 2.132 -2.345 8.867 1.00 0.00 C ATOM 188 CD2 PHE A 15 1.805 -2.083 6.471 1.00 0.00 C ATOM 189 CE1 PHE A 15 2.939 -1.193 8.872 1.00 0.00 C ATOM 190 CE2 PHE A 15 2.573 -0.908 6.489 1.00 0.00 C ATOM 191 CZ PHE A 15 3.150 -0.467 7.689 1.00 0.00 C ATOM 0 H PHE A 15 -1.360 -5.321 7.112 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.736 -3.673 9.292 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.021 -4.778 8.222 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.486 -4.313 6.619 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.953 -2.886 9.785 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.401 -2.446 5.537 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.399 -0.865 9.792 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.719 -0.344 5.580 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.754 0.428 7.703 1.00 0.00 H new ATOM 201 N LEU A 16 -1.590 -2.020 6.547 1.00 0.00 N ATOM 202 CA LEU A 16 -2.039 -0.744 6.007 1.00 0.00 C ATOM 203 C LEU A 16 -3.414 -0.355 6.542 1.00 0.00 C ATOM 204 O LEU A 16 -3.624 0.813 6.843 1.00 0.00 O ATOM 205 CB LEU A 16 -2.097 -0.828 4.478 1.00 0.00 C ATOM 206 CG LEU A 16 -0.725 -0.839 3.784 1.00 0.00 C ATOM 207 CD1 LEU A 16 -0.929 -1.195 2.310 1.00 0.00 C ATOM 208 CD2 LEU A 16 0.011 0.499 3.915 1.00 0.00 C ATOM 0 H LEU A 16 -1.532 -2.756 5.843 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.327 0.020 6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.638 -1.731 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.672 0.018 4.103 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.098 -1.583 4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.035 -1.207 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.392 -2.179 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.576 -0.453 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.974 0.436 3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.587 1.289 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.171 0.725 4.969 1.00 0.00 H new ATOM 220 N THR A 17 -4.336 -1.307 6.701 1.00 0.00 N ATOM 221 CA THR A 17 -5.663 -1.070 7.261 1.00 0.00 C ATOM 222 C THR A 17 -5.538 -0.399 8.632 1.00 0.00 C ATOM 223 O THR A 17 -6.298 0.515 8.954 1.00 0.00 O ATOM 224 CB THR A 17 -6.432 -2.400 7.362 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.703 -2.937 6.084 1.00 0.00 O ATOM 226 CG2 THR A 17 -7.755 -2.250 8.098 1.00 0.00 C ATOM 0 H THR A 17 -4.176 -2.280 6.439 1.00 0.00 H new ATOM 0 HA THR A 17 -6.221 -0.402 6.605 1.00 0.00 H new ATOM 0 HB THR A 17 -5.783 -3.072 7.924 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.898 -3.373 5.735 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.258 -3.216 8.142 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.570 -1.891 9.110 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.386 -1.536 7.570 1.00 0.00 H new ATOM 234 N ARG A 18 -4.595 -0.872 9.448 1.00 0.00 N ATOM 235 CA ARG A 18 -4.252 -0.254 10.711 1.00 0.00 C ATOM 236 C ARG A 18 -3.601 1.106 10.469 1.00 0.00 C ATOM 237 O ARG A 18 -4.144 2.119 10.912 1.00 0.00 O ATOM 238 CB ARG A 18 -3.354 -1.216 11.503 1.00 0.00 C ATOM 239 CG ARG A 18 -4.144 -2.060 12.506 1.00 0.00 C ATOM 240 CD ARG A 18 -4.930 -3.214 11.872 1.00 0.00 C ATOM 241 NE ARG A 18 -5.948 -3.731 12.804 1.00 0.00 N ATOM 242 CZ ARG A 18 -6.485 -4.957 12.810 1.00 0.00 C ATOM 243 NH1 ARG A 18 -5.970 -5.932 12.060 1.00 0.00 N ATOM 244 NH2 ARG A 18 -7.560 -5.198 13.549 1.00 0.00 N ATOM 0 H ARG A 18 -4.046 -1.706 9.239 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.146 -0.066 11.306 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.832 -1.875 10.809 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.593 -0.644 12.034 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.454 -2.467 13.245 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.838 -1.413 13.042 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.411 -2.872 10.955 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.246 -4.015 11.593 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.279 -3.085 13.521 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.157 -5.748 11.472 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.389 -6.862 12.074 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.972 -4.451 14.108 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.974 -6.130 13.558 1.00 0.00 H new ATOM 258 N GLU A 19 -2.458 1.156 9.784 1.00 0.00 N ATOM 259 CA GLU A 19 -1.648 2.362 9.676 1.00 0.00 C ATOM 260 C GLU A 19 -2.368 3.534 9.001 1.00 0.00 C ATOM 261 O GLU A 19 -1.968 4.676 9.229 1.00 0.00 O ATOM 262 CB GLU A 19 -0.330 2.019 8.956 1.00 0.00 C ATOM 263 CG GLU A 19 0.897 1.959 9.874 1.00 0.00 C ATOM 264 CD GLU A 19 0.850 0.993 11.065 1.00 0.00 C ATOM 265 OE1 GLU A 19 -0.172 0.917 11.784 1.00 0.00 O ATOM 266 OE2 GLU A 19 1.901 0.396 11.384 1.00 0.00 O ATOM 0 H GLU A 19 -2.069 0.355 9.287 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.441 2.709 10.688 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.443 1.056 8.457 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.151 2.762 8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.760 1.696 9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.075 2.962 10.262 1.00 0.00 H new ATOM 273 N LEU A 20 -3.408 3.281 8.204 1.00 0.00 N ATOM 274 CA LEU A 20 -4.165 4.266 7.438 1.00 0.00 C ATOM 275 C LEU A 20 -5.656 4.225 7.805 1.00 0.00 C ATOM 276 O LEU A 20 -6.488 4.697 7.026 1.00 0.00 O ATOM 277 CB LEU A 20 -3.932 4.011 5.938 1.00 0.00 C ATOM 278 CG LEU A 20 -2.476 4.191 5.474 1.00 0.00 C ATOM 279 CD1 LEU A 20 -2.367 3.727 4.023 1.00 0.00 C ATOM 280 CD2 LEU A 20 -2.028 5.654 5.575 1.00 0.00 C ATOM 0 H LEU A 20 -3.761 2.333 8.070 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.817 5.270 7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.251 2.996 5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.568 4.686 5.365 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.829 3.599 6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.340 3.848 3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.651 2.677 3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.032 4.324 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.995 5.742 5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.668 6.275 4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.102 5.987 6.610 1.00 0.00 H new ATOM 292 N ALA A 21 -6.006 3.698 8.986 1.00 0.00 N ATOM 293 CA ALA A 21 -7.384 3.558 9.449 1.00 0.00 C ATOM 294 C ALA A 21 -8.173 4.866 9.325 1.00 0.00 C ATOM 295 O ALA A 21 -9.233 4.893 8.698 1.00 0.00 O ATOM 296 CB ALA A 21 -7.402 3.045 10.896 1.00 0.00 C ATOM 0 H ALA A 21 -5.321 3.351 9.657 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.877 2.830 8.805 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.434 2.944 11.233 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.907 2.075 10.944 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.878 3.752 11.539 1.00 0.00 H new ATOM 302 N GLU A 22 -7.667 5.952 9.917 1.00 0.00 N ATOM 303 CA GLU A 22 -8.303 7.265 9.843 1.00 0.00 C ATOM 304 C GLU A 22 -8.194 7.893 8.450 1.00 0.00 C ATOM 305 O GLU A 22 -8.914 8.856 8.177 1.00 0.00 O ATOM 306 CB GLU A 22 -7.674 8.227 10.879 1.00 0.00 C ATOM 307 CG GLU A 22 -8.526 8.412 12.142 1.00 0.00 C ATOM 308 CD GLU A 22 -9.831 9.155 11.878 1.00 0.00 C ATOM 309 OE1 GLU A 22 -10.832 8.468 11.561 1.00 0.00 O ATOM 310 OE2 GLU A 22 -9.846 10.407 11.898 1.00 0.00 O ATOM 0 H GLU A 22 -6.804 5.943 10.461 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.360 7.111 10.062 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.693 7.848 11.165 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.517 9.199 10.411 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.751 7.434 12.568 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.948 8.959 12.887 1.00 0.00 H new ATOM 317 N ASP A 23 -7.309 7.405 7.574 1.00 0.00 N ATOM 318 CA ASP A 23 -7.020 8.095 6.319 1.00 0.00 C ATOM 319 C ASP A 23 -8.058 7.837 5.234 1.00 0.00 C ATOM 320 O ASP A 23 -8.100 8.587 4.255 1.00 0.00 O ATOM 321 CB ASP A 23 -5.618 7.789 5.760 1.00 0.00 C ATOM 322 CG ASP A 23 -4.626 8.854 6.218 1.00 0.00 C ATOM 323 OD1 ASP A 23 -4.883 10.025 5.865 1.00 0.00 O ATOM 324 OD2 ASP A 23 -3.674 8.538 6.975 1.00 0.00 O ATOM 0 H ASP A 23 -6.785 6.541 7.712 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.059 9.150 6.590 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.290 6.806 6.098 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.651 7.757 4.671 1.00 0.00 H new ATOM 329 N GLY A 24 -8.891 6.807 5.396 1.00 0.00 N ATOM 330 CA GLY A 24 -9.806 6.376 4.352 1.00 0.00 C ATOM 331 C GLY A 24 -9.151 5.334 3.449 1.00 0.00 C ATOM 332 O GLY A 24 -9.301 5.376 2.225 1.00 0.00 O ATOM 0 H GLY A 24 -8.946 6.255 6.252 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.707 5.958 4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.116 7.235 3.757 1.00 0.00 H new ATOM 336 N TYR A 25 -8.387 4.407 4.034 1.00 0.00 N ATOM 337 CA TYR A 25 -7.869 3.249 3.335 1.00 0.00 C ATOM 338 C TYR A 25 -9.008 2.434 2.707 1.00 0.00 C ATOM 339 O TYR A 25 -10.166 2.513 3.125 1.00 0.00 O ATOM 340 CB TYR A 25 -7.066 2.423 4.341 1.00 0.00 C ATOM 341 CG TYR A 25 -6.345 1.242 3.737 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.263 1.457 2.863 1.00 0.00 C ATOM 343 CD2 TYR A 25 -6.771 -0.063 4.033 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.590 0.359 2.297 1.00 0.00 C ATOM 345 CE2 TYR A 25 -6.088 -1.162 3.490 1.00 0.00 C ATOM 346 CZ TYR A 25 -4.995 -0.952 2.629 1.00 0.00 C ATOM 347 OH TYR A 25 -4.334 -2.020 2.118 1.00 0.00 O ATOM 0 H TYR A 25 -8.114 4.448 5.016 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.222 3.555 2.512 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.336 3.071 4.826 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.740 2.064 5.119 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.950 2.463 2.627 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.623 -0.221 4.678 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.769 0.518 1.613 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.401 -2.167 3.732 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.953 -2.774 2.024 1.00 0.00 H new ATOM 357 N SER A 26 -8.692 1.622 1.704 1.00 0.00 N ATOM 358 CA SER A 26 -9.656 0.793 0.987 1.00 0.00 C ATOM 359 C SER A 26 -9.053 -0.524 0.507 1.00 0.00 C ATOM 360 O SER A 26 -9.761 -1.527 0.368 1.00 0.00 O ATOM 361 CB SER A 26 -10.120 1.580 -0.229 1.00 0.00 C ATOM 362 OG SER A 26 -11.061 2.573 0.131 1.00 0.00 O ATOM 0 H SER A 26 -7.738 1.519 1.359 1.00 0.00 H new ATOM 0 HA SER A 26 -10.474 0.551 1.666 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.262 2.047 -0.712 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.565 0.901 -0.957 1.00 0.00 H new ATOM 0 HG SER A 26 -11.572 2.842 -0.661 1.00 0.00 H new ATOM 368 N GLY A 27 -7.757 -0.538 0.219 1.00 0.00 N ATOM 369 CA GLY A 27 -7.049 -1.752 -0.128 1.00 0.00 C ATOM 370 C GLY A 27 -5.672 -1.443 -0.671 1.00 0.00 C ATOM 371 O GLY A 27 -5.167 -0.328 -0.544 1.00 0.00 O ATOM 0 H GLY A 27 -7.171 0.297 0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.962 -2.390 0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.619 -2.310 -0.871 1.00 0.00 H new ATOM 375 N VAL A 28 -5.034 -2.438 -1.266 1.00 0.00 N ATOM 376 CA VAL A 28 -3.717 -2.286 -1.849 1.00 0.00 C ATOM 377 C VAL A 28 -3.627 -3.259 -3.016 1.00 0.00 C ATOM 378 O VAL A 28 -4.217 -4.343 -2.980 1.00 0.00 O ATOM 379 CB VAL A 28 -2.655 -2.527 -0.756 1.00 0.00 C ATOM 380 CG1 VAL A 28 -2.826 -3.881 -0.038 1.00 0.00 C ATOM 381 CG2 VAL A 28 -1.223 -2.363 -1.273 1.00 0.00 C ATOM 0 H VAL A 28 -5.420 -3.378 -1.357 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.536 -1.282 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.828 -1.745 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.050 -3.992 0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.806 -3.919 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.744 -4.690 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.520 -2.544 -0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.042 -3.078 -2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.087 -1.350 -1.651 1.00 0.00 H new ATOM 391 N GLU A 29 -2.855 -2.898 -4.031 1.00 0.00 N ATOM 392 CA GLU A 29 -2.475 -3.791 -5.106 1.00 0.00 C ATOM 393 C GLU A 29 -0.964 -3.773 -5.182 1.00 0.00 C ATOM 394 O GLU A 29 -0.338 -2.728 -5.318 1.00 0.00 O ATOM 395 CB GLU A 29 -3.182 -3.435 -6.417 1.00 0.00 C ATOM 396 CG GLU A 29 -4.622 -3.955 -6.296 1.00 0.00 C ATOM 397 CD GLU A 29 -5.494 -3.718 -7.527 1.00 0.00 C ATOM 398 OE1 GLU A 29 -5.688 -2.553 -7.939 1.00 0.00 O ATOM 399 OE2 GLU A 29 -6.072 -4.713 -8.031 1.00 0.00 O ATOM 0 H GLU A 29 -2.470 -1.958 -4.128 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.801 -4.813 -4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.172 -2.358 -6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.675 -3.892 -7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.591 -5.025 -6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.094 -3.479 -5.437 1.00 0.00 H new ATOM 406 N VAL A 30 -0.384 -4.945 -4.983 1.00 0.00 N ATOM 407 CA VAL A 30 1.033 -5.182 -5.198 1.00 0.00 C ATOM 408 C VAL A 30 1.219 -5.443 -6.684 1.00 0.00 C ATOM 409 O VAL A 30 0.487 -6.258 -7.261 1.00 0.00 O ATOM 410 CB VAL A 30 1.536 -6.346 -4.315 1.00 0.00 C ATOM 411 CG1 VAL A 30 0.645 -7.604 -4.328 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.981 -6.750 -4.648 1.00 0.00 C ATOM 0 H VAL A 30 -0.892 -5.770 -4.663 1.00 0.00 H new ATOM 0 HA VAL A 30 1.631 -4.319 -4.906 1.00 0.00 H new ATOM 0 HB VAL A 30 1.490 -5.934 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.080 -8.365 -3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.352 -7.348 -3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.576 -7.991 -5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.288 -7.571 -4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.039 -7.067 -5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.642 -5.898 -4.491 1.00 0.00 H new ATOM 422 N ARG A 31 2.236 -4.838 -7.287 1.00 0.00 N ATOM 423 CA ARG A 31 2.743 -5.317 -8.557 1.00 0.00 C ATOM 424 C ARG A 31 4.095 -5.913 -8.221 1.00 0.00 C ATOM 425 O ARG A 31 4.990 -5.216 -7.751 1.00 0.00 O ATOM 426 CB ARG A 31 2.813 -4.155 -9.570 1.00 0.00 C ATOM 427 CG ARG A 31 1.800 -4.354 -10.697 1.00 0.00 C ATOM 428 CD ARG A 31 1.887 -3.267 -11.771 1.00 0.00 C ATOM 429 NE ARG A 31 1.001 -3.592 -12.902 1.00 0.00 N ATOM 430 CZ ARG A 31 0.889 -2.901 -14.043 1.00 0.00 C ATOM 431 NH1 ARG A 31 1.561 -1.773 -14.234 1.00 0.00 N ATOM 432 NH2 ARG A 31 0.073 -3.338 -14.993 1.00 0.00 N ATOM 0 H ARG A 31 2.720 -4.020 -6.916 1.00 0.00 H new ATOM 0 HA ARG A 31 2.108 -6.063 -9.035 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.617 -3.211 -9.061 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.818 -4.090 -9.986 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.963 -5.328 -11.158 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.794 -4.364 -10.278 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.606 -2.303 -11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.915 -3.174 -12.121 1.00 0.00 H new ATOM 0 HE ARG A 31 0.417 -4.423 -12.807 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.178 -1.417 -13.504 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.461 -1.262 -15.111 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.463 -4.194 -14.851 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.019 -2.818 -15.866 1.00 0.00 H new ATOM 446 N VAL A 32 4.269 -7.198 -8.502 1.00 0.00 N ATOM 447 CA VAL A 32 5.588 -7.767 -8.685 1.00 0.00 C ATOM 448 C VAL A 32 5.898 -7.467 -10.149 1.00 0.00 C ATOM 449 O VAL A 32 5.092 -7.797 -11.026 1.00 0.00 O ATOM 450 CB VAL A 32 5.610 -9.253 -8.260 1.00 0.00 C ATOM 451 CG1 VAL A 32 4.754 -10.191 -9.123 1.00 0.00 C ATOM 452 CG2 VAL A 32 7.052 -9.768 -8.177 1.00 0.00 C ATOM 0 H VAL A 32 3.505 -7.865 -8.608 1.00 0.00 H new ATOM 0 HA VAL A 32 6.372 -7.347 -8.055 1.00 0.00 H new ATOM 0 HB VAL A 32 5.146 -9.271 -7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.836 -11.210 -8.744 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.712 -9.872 -9.084 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.105 -10.158 -10.154 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.047 -10.816 -7.876 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.529 -9.672 -9.152 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.606 -9.182 -7.443 1.00 0.00 H new ATOM 462 N THR A 33 6.990 -6.755 -10.405 1.00 0.00 N ATOM 463 CA THR A 33 7.468 -6.483 -11.752 1.00 0.00 C ATOM 464 C THR A 33 8.882 -7.070 -11.864 1.00 0.00 C ATOM 465 O THR A 33 9.510 -7.320 -10.828 1.00 0.00 O ATOM 466 CB THR A 33 7.382 -4.970 -12.045 1.00 0.00 C ATOM 467 OG1 THR A 33 8.311 -4.222 -11.292 1.00 0.00 O ATOM 468 CG2 THR A 33 6.003 -4.370 -11.776 1.00 0.00 C ATOM 0 H THR A 33 7.573 -6.347 -9.674 1.00 0.00 H new ATOM 0 HA THR A 33 6.850 -6.956 -12.515 1.00 0.00 H new ATOM 0 HB THR A 33 7.605 -4.902 -13.110 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.134 -4.347 -10.336 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.019 -3.304 -12.004 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.262 -4.865 -12.404 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.743 -4.512 -10.727 1.00 0.00 H new ATOM 476 N PRO A 34 9.438 -7.235 -13.077 1.00 0.00 N ATOM 477 CA PRO A 34 10.821 -7.663 -13.258 1.00 0.00 C ATOM 478 C PRO A 34 11.815 -6.537 -12.938 1.00 0.00 C ATOM 479 O PRO A 34 13.016 -6.702 -13.140 1.00 0.00 O ATOM 480 CB PRO A 34 10.905 -8.100 -14.723 1.00 0.00 C ATOM 481 CG PRO A 34 9.889 -7.204 -15.424 1.00 0.00 C ATOM 482 CD PRO A 34 8.808 -6.989 -14.368 1.00 0.00 C ATOM 0 HA PRO A 34 11.089 -8.471 -12.577 1.00 0.00 H new ATOM 0 HB2 PRO A 34 11.908 -7.960 -15.126 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.658 -9.155 -14.841 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.336 -6.261 -15.738 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.486 -7.679 -16.319 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.411 -5.975 -14.419 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.970 -7.668 -14.527 1.00 0.00 H new ATOM 490 N THR A 35 11.336 -5.375 -12.496 1.00 0.00 N ATOM 491 CA THR A 35 12.122 -4.177 -12.260 1.00 0.00 C ATOM 492 C THR A 35 12.168 -3.849 -10.759 1.00 0.00 C ATOM 493 O THR A 35 13.248 -3.541 -10.253 1.00 0.00 O ATOM 494 CB THR A 35 11.584 -3.062 -13.185 1.00 0.00 C ATOM 495 OG1 THR A 35 10.178 -3.133 -13.362 1.00 0.00 O ATOM 496 CG2 THR A 35 12.139 -3.252 -14.600 1.00 0.00 C ATOM 0 H THR A 35 10.347 -5.243 -12.285 1.00 0.00 H new ATOM 0 HA THR A 35 13.171 -4.311 -12.523 1.00 0.00 H new ATOM 0 HB THR A 35 11.878 -2.124 -12.714 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.755 -3.402 -12.520 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.757 -2.464 -15.249 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.228 -3.205 -14.573 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.827 -4.223 -14.986 1.00 0.00 H new ATOM 504 N ARG A 36 11.056 -3.971 -10.024 1.00 0.00 N ATOM 505 CA ARG A 36 10.999 -3.885 -8.560 1.00 0.00 C ATOM 506 C ARG A 36 9.695 -4.506 -8.050 1.00 0.00 C ATOM 507 O ARG A 36 8.814 -4.850 -8.846 1.00 0.00 O ATOM 508 CB ARG A 36 11.164 -2.422 -8.090 1.00 0.00 C ATOM 509 CG ARG A 36 10.158 -1.418 -8.681 1.00 0.00 C ATOM 510 CD ARG A 36 10.383 -0.016 -8.099 1.00 0.00 C ATOM 511 NE ARG A 36 11.661 0.543 -8.566 1.00 0.00 N ATOM 512 CZ ARG A 36 12.565 1.260 -7.892 1.00 0.00 C ATOM 513 NH1 ARG A 36 12.399 1.590 -6.615 1.00 0.00 N ATOM 514 NH2 ARG A 36 13.664 1.631 -8.528 1.00 0.00 N ATOM 0 H ARG A 36 10.142 -4.138 -10.445 1.00 0.00 H new ATOM 0 HA ARG A 36 11.828 -4.452 -8.137 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.080 -2.396 -7.004 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.172 -2.090 -8.340 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.262 -1.388 -9.766 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.141 -1.747 -8.467 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.564 0.641 -8.393 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.378 -0.064 -7.010 1.00 0.00 H new ATOM 0 HE ARG A 36 11.889 0.357 -9.543 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.559 1.295 -6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.111 2.139 -6.133 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.801 1.369 -9.504 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.374 2.179 -8.042 1.00 0.00 H new ATOM 528 N THR A 37 9.520 -4.643 -6.739 1.00 0.00 N ATOM 529 CA THR A 37 8.167 -4.674 -6.205 1.00 0.00 C ATOM 530 C THR A 37 7.629 -3.240 -6.242 1.00 0.00 C ATOM 531 O THR A 37 8.363 -2.279 -6.028 1.00 0.00 O ATOM 532 CB THR A 37 8.164 -5.287 -4.800 1.00 0.00 C ATOM 533 OG1 THR A 37 8.554 -6.645 -4.888 1.00 0.00 O ATOM 534 CG2 THR A 37 6.767 -5.274 -4.167 1.00 0.00 C ATOM 0 H THR A 37 10.268 -4.731 -6.051 1.00 0.00 H new ATOM 0 HA THR A 37 7.511 -5.308 -6.802 1.00 0.00 H new ATOM 0 HB THR A 37 8.846 -4.694 -4.191 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.259 -7.123 -4.085 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.814 -5.718 -3.173 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.412 -4.246 -4.089 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.080 -5.849 -4.789 1.00 0.00 H new ATOM 542 N GLU A 38 6.333 -3.108 -6.473 1.00 0.00 N ATOM 543 CA GLU A 38 5.551 -1.890 -6.431 1.00 0.00 C ATOM 544 C GLU A 38 4.382 -2.200 -5.503 1.00 0.00 C ATOM 545 O GLU A 38 3.866 -3.323 -5.491 1.00 0.00 O ATOM 546 CB GLU A 38 5.032 -1.587 -7.837 1.00 0.00 C ATOM 547 CG GLU A 38 6.138 -1.368 -8.880 1.00 0.00 C ATOM 548 CD GLU A 38 5.580 -1.039 -10.266 1.00 0.00 C ATOM 549 OE1 GLU A 38 4.403 -1.333 -10.563 1.00 0.00 O ATOM 550 OE2 GLU A 38 6.335 -0.470 -11.090 1.00 0.00 O ATOM 0 H GLU A 38 5.758 -3.916 -6.713 1.00 0.00 H new ATOM 0 HA GLU A 38 6.126 -1.031 -6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.397 -2.411 -8.164 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.404 -0.697 -7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.787 -0.556 -8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.755 -2.264 -8.944 1.00 0.00 H new ATOM 557 N ILE A 39 3.965 -1.217 -4.717 1.00 0.00 N ATOM 558 CA ILE A 39 2.884 -1.348 -3.759 1.00 0.00 C ATOM 559 C ILE A 39 2.014 -0.129 -4.001 1.00 0.00 C ATOM 560 O ILE A 39 2.487 0.988 -3.848 1.00 0.00 O ATOM 561 CB ILE A 39 3.461 -1.409 -2.325 1.00 0.00 C ATOM 562 CG1 ILE A 39 4.344 -2.663 -2.122 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.311 -1.375 -1.308 1.00 0.00 C ATOM 564 CD1 ILE A 39 5.102 -2.683 -0.792 1.00 0.00 C ATOM 0 H ILE A 39 4.381 -0.286 -4.731 1.00 0.00 H new ATOM 0 HA ILE A 39 2.301 -2.262 -3.873 1.00 0.00 H new ATOM 0 HB ILE A 39 4.100 -0.540 -2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.715 -3.551 -2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.063 -2.725 -2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.717 -1.418 -0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.743 -0.453 -1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.655 -2.230 -1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.697 -3.594 -0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.759 -1.815 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.390 -2.655 0.033 1.00 0.00 H new ATOM 576 N ILE A 40 0.765 -0.322 -4.399 1.00 0.00 N ATOM 577 CA ILE A 40 -0.127 0.750 -4.772 1.00 0.00 C ATOM 578 C ILE A 40 -1.258 0.725 -3.750 1.00 0.00 C ATOM 579 O ILE A 40 -2.185 -0.078 -3.842 1.00 0.00 O ATOM 580 CB ILE A 40 -0.555 0.612 -6.253 1.00 0.00 C ATOM 581 CG1 ILE A 40 0.637 0.606 -7.246 1.00 0.00 C ATOM 582 CG2 ILE A 40 -1.418 1.830 -6.590 1.00 0.00 C ATOM 583 CD1 ILE A 40 1.234 -0.774 -7.532 1.00 0.00 C ATOM 0 H ILE A 40 0.342 -1.247 -4.471 1.00 0.00 H new ATOM 0 HA ILE A 40 0.338 1.735 -4.739 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.075 -0.340 -6.357 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.308 1.045 -8.188 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.423 1.250 -6.851 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.741 1.771 -7.629 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.292 1.848 -5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.836 2.740 -6.442 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.060 -0.674 -8.236 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.600 -1.212 -6.603 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.468 -1.420 -7.961 1.00 0.00 H new ATOM 595 N ILE A 41 -1.136 1.562 -2.720 1.00 0.00 N ATOM 596 CA ILE A 41 -2.160 1.753 -1.704 1.00 0.00 C ATOM 597 C ILE A 41 -3.352 2.425 -2.378 1.00 0.00 C ATOM 598 O ILE A 41 -3.201 3.493 -2.973 1.00 0.00 O ATOM 599 CB ILE A 41 -1.582 2.574 -0.530 1.00 0.00 C ATOM 600 CG1 ILE A 41 -0.588 1.703 0.276 1.00 0.00 C ATOM 601 CG2 ILE A 41 -2.731 3.045 0.373 1.00 0.00 C ATOM 602 CD1 ILE A 41 0.879 1.881 -0.119 1.00 0.00 C ATOM 0 H ILE A 41 -0.306 2.135 -2.569 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.493 0.807 -1.276 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.051 3.444 -0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.696 1.937 1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.860 0.655 0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.327 3.625 1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.416 3.666 -0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.266 2.179 0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.503 1.233 0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.008 1.618 -1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.173 2.919 0.033 1.00 0.00 H new ATOM 614 N LEU A 42 -4.529 1.815 -2.251 1.00 0.00 N ATOM 615 CA LEU A 42 -5.815 2.331 -2.684 1.00 0.00 C ATOM 616 C LEU A 42 -6.456 2.981 -1.450 1.00 0.00 C ATOM 617 O LEU A 42 -6.776 2.276 -0.487 1.00 0.00 O ATOM 618 CB LEU A 42 -6.704 1.173 -3.197 1.00 0.00 C ATOM 619 CG LEU A 42 -6.103 0.304 -4.321 1.00 0.00 C ATOM 620 CD1 LEU A 42 -6.982 -0.929 -4.577 1.00 0.00 C ATOM 621 CD2 LEU A 42 -5.949 1.108 -5.614 1.00 0.00 C ATOM 0 H LEU A 42 -4.609 0.895 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.703 3.049 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.945 0.525 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.644 1.594 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.115 -0.024 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.543 -1.530 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.048 -1.525 -3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.981 -0.609 -4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.523 0.472 -6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.926 1.469 -5.936 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.288 1.957 -5.438 1.00 0.00 H new ATOM 633 N ALA A 43 -6.642 4.301 -1.454 1.00 0.00 N ATOM 634 CA ALA A 43 -7.354 5.037 -0.405 1.00 0.00 C ATOM 635 C ALA A 43 -8.191 6.148 -1.048 1.00 0.00 C ATOM 636 O ALA A 43 -8.056 6.432 -2.238 1.00 0.00 O ATOM 637 CB ALA A 43 -6.351 5.607 0.617 1.00 0.00 C ATOM 0 H ALA A 43 -6.295 4.902 -2.201 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.024 4.364 0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.891 6.152 1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.791 4.790 1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.661 6.283 0.112 1.00 0.00 H new ATOM 643 N THR A 44 -9.052 6.818 -0.291 1.00 0.00 N ATOM 644 CA THR A 44 -9.871 7.928 -0.788 1.00 0.00 C ATOM 645 C THR A 44 -9.113 9.260 -0.821 1.00 0.00 C ATOM 646 O THR A 44 -9.548 10.201 -1.497 1.00 0.00 O ATOM 647 CB THR A 44 -11.111 8.043 0.108 1.00 0.00 C ATOM 648 OG1 THR A 44 -10.718 7.957 1.456 1.00 0.00 O ATOM 649 CG2 THR A 44 -12.103 6.915 -0.168 1.00 0.00 C ATOM 0 H THR A 44 -9.206 6.607 0.695 1.00 0.00 H new ATOM 0 HA THR A 44 -10.151 7.714 -1.819 1.00 0.00 H new ATOM 0 HB THR A 44 -11.590 8.999 -0.103 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.507 8.032 2.032 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.970 7.026 0.483 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.423 6.959 -1.209 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.625 5.955 0.025 1.00 0.00 H new ATOM 657 N ARG A 45 -7.999 9.360 -0.090 1.00 0.00 N ATOM 658 CA ARG A 45 -7.337 10.616 0.250 1.00 0.00 C ATOM 659 C ARG A 45 -5.839 10.507 -0.004 1.00 0.00 C ATOM 660 O ARG A 45 -5.038 10.671 0.912 1.00 0.00 O ATOM 661 CB ARG A 45 -7.663 10.972 1.719 1.00 0.00 C ATOM 662 CG ARG A 45 -9.163 11.124 2.029 1.00 0.00 C ATOM 663 CD ARG A 45 -9.750 12.322 1.278 1.00 0.00 C ATOM 664 NE ARG A 45 -11.191 12.492 1.526 1.00 0.00 N ATOM 665 CZ ARG A 45 -11.840 13.660 1.501 1.00 0.00 C ATOM 666 NH1 ARG A 45 -11.180 14.806 1.409 1.00 0.00 N ATOM 667 NH2 ARG A 45 -13.165 13.676 1.554 1.00 0.00 N ATOM 0 H ARG A 45 -7.521 8.543 0.291 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.704 11.423 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.249 10.198 2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.158 11.904 1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.693 10.215 1.745 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.307 11.254 3.102 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.224 13.228 1.578 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.581 12.195 0.209 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.736 11.655 1.733 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.161 14.805 1.356 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.691 15.689 1.391 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.684 12.800 1.614 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.665 14.565 1.535 1.00 0.00 H new ATOM 681 N THR A 46 -5.449 10.271 -1.257 1.00 0.00 N ATOM 682 CA THR A 46 -4.051 10.153 -1.667 1.00 0.00 C ATOM 683 C THR A 46 -3.196 11.305 -1.136 1.00 0.00 C ATOM 684 O THR A 46 -2.095 11.073 -0.639 1.00 0.00 O ATOM 685 CB THR A 46 -3.982 10.064 -3.201 1.00 0.00 C ATOM 686 OG1 THR A 46 -4.926 10.926 -3.822 1.00 0.00 O ATOM 687 CG2 THR A 46 -4.294 8.640 -3.640 1.00 0.00 C ATOM 0 H THR A 46 -6.107 10.155 -2.028 1.00 0.00 H new ATOM 0 HA THR A 46 -3.637 9.243 -1.233 1.00 0.00 H new ATOM 0 HB THR A 46 -2.977 10.362 -3.500 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.852 10.844 -4.796 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.245 8.575 -4.727 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.566 7.957 -3.203 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.295 8.367 -3.305 1.00 0.00 H new ATOM 695 N GLN A 47 -3.722 12.535 -1.181 1.00 0.00 N ATOM 696 CA GLN A 47 -2.998 13.714 -0.734 1.00 0.00 C ATOM 697 C GLN A 47 -2.564 13.583 0.730 1.00 0.00 C ATOM 698 O GLN A 47 -1.429 13.921 1.078 1.00 0.00 O ATOM 699 CB GLN A 47 -3.816 14.987 -1.065 1.00 0.00 C ATOM 700 CG GLN A 47 -4.710 15.616 0.025 1.00 0.00 C ATOM 701 CD GLN A 47 -3.972 16.583 0.965 1.00 0.00 C ATOM 702 OE1 GLN A 47 -2.761 16.517 1.162 1.00 0.00 O ATOM 703 NE2 GLN A 47 -4.678 17.521 1.563 1.00 0.00 N ATOM 0 H GLN A 47 -4.660 12.733 -1.529 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.060 13.808 -1.282 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.112 15.752 -1.393 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.454 14.754 -1.917 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.529 16.150 -0.456 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.155 14.818 0.619 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.684 17.582 1.404 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.219 18.186 2.185 1.00 0.00 H new ATOM 712 N ASN A 48 -3.453 13.068 1.580 1.00 0.00 N ATOM 713 CA ASN A 48 -3.180 12.867 2.994 1.00 0.00 C ATOM 714 C ASN A 48 -2.214 11.705 3.159 1.00 0.00 C ATOM 715 O ASN A 48 -1.245 11.846 3.894 1.00 0.00 O ATOM 716 CB ASN A 48 -4.472 12.603 3.773 1.00 0.00 C ATOM 717 CG ASN A 48 -5.278 13.861 4.065 1.00 0.00 C ATOM 718 OD1 ASN A 48 -5.024 14.940 3.533 1.00 0.00 O ATOM 719 ND2 ASN A 48 -6.273 13.745 4.920 1.00 0.00 N ATOM 0 H ASN A 48 -4.390 12.778 1.299 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.730 13.774 3.398 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.092 11.908 3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.224 12.114 4.715 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.846 14.557 5.149 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.471 12.843 5.353 1.00 0.00 H new ATOM 726 N VAL A 49 -2.420 10.608 2.427 1.00 0.00 N ATOM 727 CA VAL A 49 -1.612 9.390 2.528 1.00 0.00 C ATOM 728 C VAL A 49 -0.140 9.677 2.193 1.00 0.00 C ATOM 729 O VAL A 49 0.761 9.049 2.748 1.00 0.00 O ATOM 730 CB VAL A 49 -2.254 8.295 1.643 1.00 0.00 C ATOM 731 CG1 VAL A 49 -1.401 7.031 1.472 1.00 0.00 C ATOM 732 CG2 VAL A 49 -3.605 7.870 2.237 1.00 0.00 C ATOM 0 H VAL A 49 -3.166 10.540 1.735 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.602 9.019 3.553 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.360 8.751 0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.929 6.319 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.450 7.294 1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.218 6.581 2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.052 7.099 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.453 7.477 3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.270 8.732 2.282 1.00 0.00 H new ATOM 742 N LEU A 50 0.134 10.635 1.305 1.00 0.00 N ATOM 743 CA LEU A 50 1.499 11.070 1.004 1.00 0.00 C ATOM 744 C LEU A 50 2.122 11.834 2.174 1.00 0.00 C ATOM 745 O LEU A 50 3.336 11.782 2.381 1.00 0.00 O ATOM 746 CB LEU A 50 1.495 11.966 -0.243 1.00 0.00 C ATOM 747 CG LEU A 50 1.185 11.179 -1.528 1.00 0.00 C ATOM 748 CD1 LEU A 50 0.686 12.113 -2.625 1.00 0.00 C ATOM 749 CD2 LEU A 50 2.421 10.435 -2.026 1.00 0.00 C ATOM 0 H LEU A 50 -0.583 11.130 0.775 1.00 0.00 H new ATOM 0 HA LEU A 50 2.098 10.178 0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.755 12.757 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.466 12.451 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 50 0.407 10.455 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.473 11.536 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.223 12.614 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.451 12.858 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.174 9.887 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.216 11.150 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.757 9.735 -1.261 1.00 0.00 H new ATOM 761 N GLY A 51 1.302 12.560 2.929 1.00 0.00 N ATOM 762 CA GLY A 51 1.718 13.565 3.888 1.00 0.00 C ATOM 763 C GLY A 51 2.293 14.798 3.198 1.00 0.00 C ATOM 764 O GLY A 51 2.558 14.814 1.991 1.00 0.00 O ATOM 0 H GLY A 51 0.288 12.456 2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.866 13.856 4.503 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.466 13.141 4.559 1.00 0.00 H new ATOM 768 N GLU A 52 2.500 15.846 3.986 1.00 0.00 N ATOM 769 CA GLU A 52 3.082 17.112 3.572 1.00 0.00 C ATOM 770 C GLU A 52 4.477 16.845 2.991 1.00 0.00 C ATOM 771 O GLU A 52 5.310 16.201 3.639 1.00 0.00 O ATOM 772 CB GLU A 52 3.098 18.028 4.804 1.00 0.00 C ATOM 773 CG GLU A 52 3.536 19.457 4.491 1.00 0.00 C ATOM 774 CD GLU A 52 3.148 20.407 5.629 1.00 0.00 C ATOM 775 OE1 GLU A 52 3.744 20.335 6.726 1.00 0.00 O ATOM 776 OE2 GLU A 52 2.240 21.247 5.425 1.00 0.00 O ATOM 0 H GLU A 52 2.255 15.833 4.976 1.00 0.00 H new ATOM 0 HA GLU A 52 2.508 17.607 2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.101 18.050 5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.768 17.606 5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.615 19.486 4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.074 19.788 3.561 1.00 0.00 H new ATOM 783 N LYS A 53 4.719 17.311 1.760 1.00 0.00 N ATOM 784 CA LYS A 53 5.935 17.079 0.969 1.00 0.00 C ATOM 785 C LYS A 53 6.408 15.621 1.066 1.00 0.00 C ATOM 786 O LYS A 53 7.595 15.353 1.255 1.00 0.00 O ATOM 787 CB LYS A 53 7.033 18.101 1.344 1.00 0.00 C ATOM 788 CG LYS A 53 6.604 19.579 1.240 1.00 0.00 C ATOM 789 CD LYS A 53 7.229 20.344 0.066 1.00 0.00 C ATOM 790 CE LYS A 53 6.588 21.736 -0.032 1.00 0.00 C ATOM 791 NZ LYS A 53 6.900 22.455 -1.286 1.00 0.00 N ATOM 0 H LYS A 53 4.040 17.888 1.264 1.00 0.00 H new ATOM 0 HA LYS A 53 5.698 17.241 -0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.360 17.903 2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.895 17.941 0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.519 19.623 1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.867 20.086 2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.306 20.436 0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.077 19.795 -0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.506 21.634 0.057 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.921 22.339 0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.433 23.384 -1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.929 22.585 -1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.558 21.902 -2.098 1.00 0.00 H new ATOM 805 N GLY A 54 5.481 14.663 0.975 1.00 0.00 N ATOM 806 CA GLY A 54 5.796 13.244 0.904 1.00 0.00 C ATOM 807 C GLY A 54 6.369 12.644 2.192 1.00 0.00 C ATOM 808 O GLY A 54 6.892 11.530 2.148 1.00 0.00 O ATOM 0 H GLY A 54 4.480 14.859 0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.890 12.699 0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.512 13.086 0.097 1.00 0.00 H new ATOM 812 N ARG A 55 6.302 13.340 3.339 1.00 0.00 N ATOM 813 CA ARG A 55 6.839 12.821 4.604 1.00 0.00 C ATOM 814 C ARG A 55 6.286 11.435 4.909 1.00 0.00 C ATOM 815 O ARG A 55 7.058 10.524 5.206 1.00 0.00 O ATOM 816 CB ARG A 55 6.543 13.782 5.778 1.00 0.00 C ATOM 817 CG ARG A 55 7.710 14.739 6.073 1.00 0.00 C ATOM 818 CD ARG A 55 8.813 14.047 6.890 1.00 0.00 C ATOM 819 NE ARG A 55 10.059 14.834 6.922 1.00 0.00 N ATOM 820 CZ ARG A 55 11.251 14.361 7.310 1.00 0.00 C ATOM 821 NH1 ARG A 55 11.380 13.161 7.858 1.00 0.00 N ATOM 822 NH2 ARG A 55 12.357 15.067 7.131 1.00 0.00 N ATOM 0 H ARG A 55 5.880 14.265 3.414 1.00 0.00 H new ATOM 0 HA ARG A 55 7.920 12.745 4.488 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.651 14.364 5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.322 13.199 6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.127 15.106 5.135 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.341 15.607 6.620 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.461 13.886 7.909 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.017 13.065 6.464 1.00 0.00 H new ATOM 0 HE ARG A 55 10.010 15.809 6.627 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.559 12.571 7.994 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.300 12.827 8.144 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.310 15.986 6.692 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.256 14.691 7.433 1.00 0.00 H new ATOM 836 N ARG A 56 4.964 11.270 4.868 1.00 0.00 N ATOM 837 CA ARG A 56 4.345 10.046 5.353 1.00 0.00 C ATOM 838 C ARG A 56 4.549 8.887 4.389 1.00 0.00 C ATOM 839 O ARG A 56 4.795 7.784 4.860 1.00 0.00 O ATOM 840 CB ARG A 56 2.868 10.279 5.724 1.00 0.00 C ATOM 841 CG ARG A 56 2.574 9.734 7.125 1.00 0.00 C ATOM 842 CD ARG A 56 3.274 10.520 8.248 1.00 0.00 C ATOM 843 NE ARG A 56 3.075 9.886 9.556 1.00 0.00 N ATOM 844 CZ ARG A 56 3.580 10.307 10.721 1.00 0.00 C ATOM 845 NH1 ARG A 56 4.234 11.457 10.813 1.00 0.00 N ATOM 846 NH2 ARG A 56 3.416 9.583 11.813 1.00 0.00 N ATOM 0 H ARG A 56 4.310 11.964 4.507 1.00 0.00 H new ATOM 0 HA ARG A 56 4.851 9.754 6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.641 11.345 5.687 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.222 9.790 4.994 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.498 9.753 7.295 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.886 8.691 7.173 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.341 10.588 8.035 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.888 11.539 8.275 1.00 0.00 H new ATOM 0 HE ARG A 56 2.498 9.046 9.579 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.360 12.040 9.985 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.611 11.759 11.711 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.904 8.702 11.769 1.00 0.00 H new ATOM 0 HH22 ARG A 56 3.801 9.905 12.701 1.00 0.00 H new ATOM 860 N ILE A 57 4.569 9.105 3.070 1.00 0.00 N ATOM 861 CA ILE A 57 4.921 8.018 2.152 1.00 0.00 C ATOM 862 C ILE A 57 6.383 7.587 2.335 1.00 0.00 C ATOM 863 O ILE A 57 6.691 6.395 2.269 1.00 0.00 O ATOM 864 CB ILE A 57 4.543 8.356 0.703 1.00 0.00 C ATOM 865 CG1 ILE A 57 4.744 7.125 -0.205 1.00 0.00 C ATOM 866 CG2 ILE A 57 5.258 9.599 0.162 1.00 0.00 C ATOM 867 CD1 ILE A 57 3.812 7.167 -1.417 1.00 0.00 C ATOM 0 H ILE A 57 4.353 9.997 2.624 1.00 0.00 H new ATOM 0 HA ILE A 57 4.323 7.143 2.407 1.00 0.00 H new ATOM 0 HB ILE A 57 3.484 8.616 0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.780 7.085 -0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.559 6.215 0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.945 9.780 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.002 10.462 0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.336 9.440 0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.980 6.285 -2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.776 7.181 -1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.015 8.064 -2.001 1.00 0.00 H new ATOM 879 N ARG A 58 7.306 8.519 2.607 1.00 0.00 N ATOM 880 CA ARG A 58 8.683 8.175 2.904 1.00 0.00 C ATOM 881 C ARG A 58 8.792 7.385 4.206 1.00 0.00 C ATOM 882 O ARG A 58 9.569 6.430 4.275 1.00 0.00 O ATOM 883 CB ARG A 58 9.519 9.463 2.937 1.00 0.00 C ATOM 884 CG ARG A 58 10.940 9.100 2.527 1.00 0.00 C ATOM 885 CD ARG A 58 11.879 10.308 2.504 1.00 0.00 C ATOM 886 NE ARG A 58 12.012 10.892 1.155 1.00 0.00 N ATOM 887 CZ ARG A 58 13.132 10.948 0.423 1.00 0.00 C ATOM 888 NH1 ARG A 58 14.282 10.474 0.887 1.00 0.00 N ATOM 889 NH2 ARG A 58 13.126 11.474 -0.794 1.00 0.00 N ATOM 0 H ARG A 58 7.112 9.520 2.625 1.00 0.00 H new ATOM 0 HA ARG A 58 9.073 7.523 2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.103 10.207 2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.508 9.901 3.935 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.333 8.354 3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.922 8.641 1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.506 11.068 3.191 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.862 10.007 2.865 1.00 0.00 H new ATOM 0 HE ARG A 58 11.170 11.291 0.740 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.324 10.057 1.817 1.00 0.00 H new ATOM 0 HH12 ARG A 58 15.124 10.526 0.313 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.260 11.844 -1.186 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.988 11.509 -1.339 1.00 0.00 H new ATOM 903 N GLU A 59 8.037 7.768 5.239 1.00 0.00 N ATOM 904 CA GLU A 59 7.911 7.018 6.477 1.00 0.00 C ATOM 905 C GLU A 59 7.425 5.605 6.156 1.00 0.00 C ATOM 906 O GLU A 59 8.157 4.650 6.424 1.00 0.00 O ATOM 907 CB GLU A 59 6.992 7.767 7.463 1.00 0.00 C ATOM 908 CG GLU A 59 7.791 8.727 8.360 1.00 0.00 C ATOM 909 CD GLU A 59 6.947 9.417 9.452 1.00 0.00 C ATOM 910 OE1 GLU A 59 6.193 8.703 10.153 1.00 0.00 O ATOM 911 OE2 GLU A 59 7.110 10.654 9.630 1.00 0.00 O ATOM 0 H GLU A 59 7.487 8.627 5.231 1.00 0.00 H new ATOM 0 HA GLU A 59 8.878 6.928 6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.240 8.328 6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.459 7.047 8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.600 8.173 8.837 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.253 9.492 7.735 1.00 0.00 H new ATOM 918 N LEU A 60 6.243 5.465 5.541 1.00 0.00 N ATOM 919 CA LEU A 60 5.637 4.174 5.228 1.00 0.00 C ATOM 920 C LEU A 60 6.541 3.304 4.364 1.00 0.00 C ATOM 921 O LEU A 60 6.609 2.103 4.619 1.00 0.00 O ATOM 922 CB LEU A 60 4.225 4.312 4.643 1.00 0.00 C ATOM 923 CG LEU A 60 3.132 4.572 5.706 1.00 0.00 C ATOM 924 CD1 LEU A 60 1.764 4.578 5.020 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.103 3.520 6.834 1.00 0.00 C ATOM 0 H LEU A 60 5.677 6.260 5.245 1.00 0.00 H new ATOM 0 HA LEU A 60 5.523 3.652 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.219 5.129 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.978 3.402 4.096 1.00 0.00 H new ATOM 0 HG LEU A 60 3.366 5.533 6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.986 4.761 5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.739 5.365 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.592 3.613 4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.312 3.767 7.542 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.914 2.535 6.408 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.063 3.514 7.350 1.00 0.00 H new ATOM 937 N THR A 61 7.304 3.872 3.429 1.00 0.00 N ATOM 938 CA THR A 61 8.302 3.125 2.676 1.00 0.00 C ATOM 939 C THR A 61 9.277 2.442 3.637 1.00 0.00 C ATOM 940 O THR A 61 9.475 1.234 3.527 1.00 0.00 O ATOM 941 CB THR A 61 9.016 4.026 1.654 1.00 0.00 C ATOM 942 OG1 THR A 61 8.081 4.558 0.731 1.00 0.00 O ATOM 943 CG2 THR A 61 10.083 3.242 0.872 1.00 0.00 C ATOM 0 H THR A 61 7.245 4.858 3.176 1.00 0.00 H new ATOM 0 HA THR A 61 7.804 2.345 2.101 1.00 0.00 H new ATOM 0 HB THR A 61 9.497 4.832 2.208 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.525 5.230 1.179 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.571 3.905 0.157 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.825 2.847 1.566 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.610 2.418 0.338 1.00 0.00 H new ATOM 951 N ALA A 62 9.876 3.181 4.576 1.00 0.00 N ATOM 952 CA ALA A 62 10.859 2.640 5.505 1.00 0.00 C ATOM 953 C ALA A 62 10.234 1.589 6.426 1.00 0.00 C ATOM 954 O ALA A 62 10.835 0.531 6.627 1.00 0.00 O ATOM 955 CB ALA A 62 11.479 3.774 6.327 1.00 0.00 C ATOM 0 H ALA A 62 9.688 4.175 4.709 1.00 0.00 H new ATOM 0 HA ALA A 62 11.642 2.149 4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.213 3.362 7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.968 4.482 5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.697 4.286 6.889 1.00 0.00 H new ATOM 961 N VAL A 63 9.056 1.855 7.003 1.00 0.00 N ATOM 962 CA VAL A 63 8.431 0.881 7.894 1.00 0.00 C ATOM 963 C VAL A 63 8.077 -0.388 7.112 1.00 0.00 C ATOM 964 O VAL A 63 8.424 -1.466 7.588 1.00 0.00 O ATOM 965 CB VAL A 63 7.279 1.472 8.739 1.00 0.00 C ATOM 966 CG1 VAL A 63 6.254 2.277 7.986 1.00 0.00 C ATOM 967 CG2 VAL A 63 6.515 0.393 9.491 1.00 0.00 C ATOM 0 H VAL A 63 8.529 2.718 6.871 1.00 0.00 H new ATOM 0 HA VAL A 63 9.156 0.589 8.653 1.00 0.00 H new ATOM 0 HB VAL A 63 7.811 2.148 9.409 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.496 2.641 8.680 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.740 3.125 7.503 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.783 1.650 7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.715 0.852 10.072 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.088 -0.314 8.779 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.194 -0.133 10.162 1.00 0.00 H new ATOM 977 N VAL A 64 7.465 -0.307 5.921 1.00 0.00 N ATOM 978 CA VAL A 64 7.189 -1.471 5.073 1.00 0.00 C ATOM 979 C VAL A 64 8.497 -2.187 4.756 1.00 0.00 C ATOM 980 O VAL A 64 8.568 -3.407 4.903 1.00 0.00 O ATOM 981 CB VAL A 64 6.431 -1.047 3.793 1.00 0.00 C ATOM 982 CG1 VAL A 64 6.433 -2.108 2.678 1.00 0.00 C ATOM 983 CG2 VAL A 64 4.971 -0.745 4.152 1.00 0.00 C ATOM 0 H VAL A 64 7.147 0.575 5.519 1.00 0.00 H new ATOM 0 HA VAL A 64 6.541 -2.168 5.605 1.00 0.00 H new ATOM 0 HB VAL A 64 6.956 -0.173 3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.881 -1.732 1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.460 -2.325 2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.960 -3.020 3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.430 -0.445 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.508 -1.637 4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.936 0.062 4.883 1.00 0.00 H new ATOM 993 N GLN A 65 9.542 -1.451 4.370 1.00 0.00 N ATOM 994 CA GLN A 65 10.841 -2.018 4.070 1.00 0.00 C ATOM 995 C GLN A 65 11.344 -2.871 5.230 1.00 0.00 C ATOM 996 O GLN A 65 11.885 -3.945 4.987 1.00 0.00 O ATOM 997 CB GLN A 65 11.854 -0.916 3.709 1.00 0.00 C ATOM 998 CG GLN A 65 12.079 -0.734 2.204 1.00 0.00 C ATOM 999 CD GLN A 65 13.406 -0.035 1.958 1.00 0.00 C ATOM 1000 OE1 GLN A 65 13.464 1.145 1.623 1.00 0.00 O ATOM 1001 NE2 GLN A 65 14.496 -0.767 2.127 1.00 0.00 N ATOM 0 H GLN A 65 9.501 -0.438 4.259 1.00 0.00 H new ATOM 0 HA GLN A 65 10.733 -2.667 3.201 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.510 0.029 4.130 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.809 -1.147 4.182 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.072 -1.704 1.707 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.265 -0.150 1.774 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.415 -1.745 2.406 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.416 -0.353 1.979 1.00 0.00 H new ATOM 1010 N LYS A 66 11.142 -2.447 6.479 1.00 0.00 N ATOM 1011 CA LYS A 66 11.650 -3.174 7.637 1.00 0.00 C ATOM 1012 C LYS A 66 10.693 -4.276 8.066 1.00 0.00 C ATOM 1013 O LYS A 66 11.162 -5.346 8.449 1.00 0.00 O ATOM 1014 CB LYS A 66 11.941 -2.177 8.765 1.00 0.00 C ATOM 1015 CG LYS A 66 13.202 -1.382 8.397 1.00 0.00 C ATOM 1016 CD LYS A 66 13.389 -0.157 9.289 1.00 0.00 C ATOM 1017 CE LYS A 66 14.696 0.548 8.912 1.00 0.00 C ATOM 1018 NZ LYS A 66 15.878 -0.058 9.558 1.00 0.00 N ATOM 0 H LYS A 66 10.627 -1.598 6.712 1.00 0.00 H new ATOM 0 HA LYS A 66 12.581 -3.675 7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.095 -1.504 8.903 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.087 -2.704 9.708 1.00 0.00 H new ATOM 0 HG2 LYS A 66 14.075 -2.029 8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.140 -1.066 7.356 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.547 0.525 9.171 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.413 -0.456 10.337 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.822 0.516 7.830 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.632 1.599 9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.734 0.457 9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.774 -0.005 10.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.959 -1.054 9.269 1.00 0.00 H new ATOM 1032 N ARG A 67 9.381 -4.057 7.975 1.00 0.00 N ATOM 1033 CA ARG A 67 8.366 -5.048 8.321 1.00 0.00 C ATOM 1034 C ARG A 67 8.521 -6.262 7.411 1.00 0.00 C ATOM 1035 O ARG A 67 8.476 -7.392 7.891 1.00 0.00 O ATOM 1036 CB ARG A 67 6.968 -4.415 8.181 1.00 0.00 C ATOM 1037 CG ARG A 67 5.863 -4.974 9.091 1.00 0.00 C ATOM 1038 CD ARG A 67 5.359 -6.383 8.742 1.00 0.00 C ATOM 1039 NE ARG A 67 6.057 -7.448 9.477 1.00 0.00 N ATOM 1040 CZ ARG A 67 5.803 -7.839 10.732 1.00 0.00 C ATOM 1041 NH1 ARG A 67 4.970 -7.152 11.514 1.00 0.00 N ATOM 1042 NH2 ARG A 67 6.395 -8.930 11.191 1.00 0.00 N ATOM 0 H ARG A 67 8.989 -3.172 7.654 1.00 0.00 H new ATOM 0 HA ARG A 67 8.489 -5.376 9.353 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.058 -3.346 8.372 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.646 -4.527 7.146 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.233 -4.985 10.116 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.016 -4.289 9.065 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.292 -6.443 8.955 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.480 -6.550 7.672 1.00 0.00 H new ATOM 0 HE ARG A 67 6.806 -7.935 8.984 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.513 -6.312 11.159 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.790 -7.466 12.467 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.031 -9.456 10.591 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.215 -9.245 12.144 1.00 0.00 H new ATOM 1056 N PHE A 68 8.694 -6.021 6.108 1.00 0.00 N ATOM 1057 CA PHE A 68 8.641 -7.031 5.059 1.00 0.00 C ATOM 1058 C PHE A 68 10.028 -7.367 4.489 1.00 0.00 C ATOM 1059 O PHE A 68 10.124 -8.269 3.654 1.00 0.00 O ATOM 1060 CB PHE A 68 7.645 -6.577 3.972 1.00 0.00 C ATOM 1061 CG PHE A 68 6.200 -6.518 4.442 1.00 0.00 C ATOM 1062 CD1 PHE A 68 5.375 -7.656 4.339 1.00 0.00 C ATOM 1063 CD2 PHE A 68 5.671 -5.335 4.991 1.00 0.00 C ATOM 1064 CE1 PHE A 68 4.053 -7.622 4.818 1.00 0.00 C ATOM 1065 CE2 PHE A 68 4.364 -5.312 5.509 1.00 0.00 C ATOM 1066 CZ PHE A 68 3.559 -6.461 5.439 1.00 0.00 C ATOM 0 H PHE A 68 8.881 -5.085 5.748 1.00 0.00 H new ATOM 0 HA PHE A 68 8.284 -7.966 5.491 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.940 -5.591 3.613 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.713 -7.259 3.124 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.760 -8.559 3.890 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.273 -4.439 5.015 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.417 -8.488 4.709 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.979 -4.410 5.961 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.565 -6.453 5.860 1.00 0.00 H new ATOM 1076 N GLY A 69 11.097 -6.699 4.938 1.00 0.00 N ATOM 1077 CA GLY A 69 12.483 -7.023 4.601 1.00 0.00 C ATOM 1078 C GLY A 69 12.854 -6.691 3.158 1.00 0.00 C ATOM 1079 O GLY A 69 13.594 -7.445 2.533 1.00 0.00 O ATOM 0 H GLY A 69 11.017 -5.897 5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.148 -6.480 5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.652 -8.086 4.776 1.00 0.00 H new ATOM 1083 N PHE A 70 12.316 -5.607 2.599 1.00 0.00 N ATOM 1084 CA PHE A 70 12.548 -5.251 1.204 1.00 0.00 C ATOM 1085 C PHE A 70 13.941 -4.622 1.007 1.00 0.00 C ATOM 1086 O PHE A 70 14.307 -3.705 1.761 1.00 0.00 O ATOM 1087 CB PHE A 70 11.469 -4.288 0.716 1.00 0.00 C ATOM 1088 CG PHE A 70 10.168 -4.935 0.317 1.00 0.00 C ATOM 1089 CD1 PHE A 70 10.093 -5.668 -0.880 1.00 0.00 C ATOM 1090 CD2 PHE A 70 9.021 -4.758 1.113 1.00 0.00 C ATOM 1091 CE1 PHE A 70 8.866 -6.208 -1.291 1.00 0.00 C ATOM 1092 CE2 PHE A 70 7.792 -5.297 0.701 1.00 0.00 C ATOM 1093 CZ PHE A 70 7.717 -6.009 -0.509 1.00 0.00 C ATOM 0 H PHE A 70 11.711 -4.956 3.099 1.00 0.00 H new ATOM 0 HA PHE A 70 12.504 -6.168 0.617 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.269 -3.562 1.504 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.858 -3.733 -0.138 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.978 -5.815 -1.481 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.086 -4.208 2.040 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.805 -6.776 -2.208 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.910 -5.166 1.310 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.768 -6.406 -0.839 1.00 0.00 H new ATOM 1103 N PRO A 71 14.705 -5.051 -0.018 1.00 0.00 N ATOM 1104 CA PRO A 71 15.931 -4.379 -0.434 1.00 0.00 C ATOM 1105 C PRO A 71 15.654 -2.919 -0.846 1.00 0.00 C ATOM 1106 O PRO A 71 14.638 -2.624 -1.485 1.00 0.00 O ATOM 1107 CB PRO A 71 16.517 -5.225 -1.575 1.00 0.00 C ATOM 1108 CG PRO A 71 15.763 -6.549 -1.530 1.00 0.00 C ATOM 1109 CD PRO A 71 14.428 -6.180 -0.899 1.00 0.00 C ATOM 0 HA PRO A 71 16.650 -4.306 0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.385 -4.731 -2.538 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.588 -5.378 -1.440 1.00 0.00 H new ATOM 0 HG2 PRO A 71 15.632 -6.970 -2.527 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.295 -7.293 -0.937 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.696 -5.911 -1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.014 -7.020 -0.341 1.00 0.00 H new ATOM 1117 N GLU A 72 16.538 -1.997 -0.455 1.00 0.00 N ATOM 1118 CA GLU A 72 16.360 -0.563 -0.639 1.00 0.00 C ATOM 1119 C GLU A 72 16.596 -0.187 -2.098 1.00 0.00 C ATOM 1120 O GLU A 72 17.730 -0.257 -2.572 1.00 0.00 O ATOM 1121 CB GLU A 72 17.290 0.246 0.293 1.00 0.00 C ATOM 1122 CG GLU A 72 16.547 1.490 0.817 1.00 0.00 C ATOM 1123 CD GLU A 72 17.309 2.808 0.741 1.00 0.00 C ATOM 1124 OE1 GLU A 72 18.511 2.860 1.081 1.00 0.00 O ATOM 1125 OE2 GLU A 72 16.654 3.824 0.415 1.00 0.00 O ATOM 0 H GLU A 72 17.415 -2.237 0.008 1.00 0.00 H new ATOM 0 HA GLU A 72 15.333 -0.312 -0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 72 17.613 -0.375 1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 72 18.188 0.547 -0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.619 1.597 0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 72 16.271 1.312 1.857 1.00 0.00 H new ATOM 1132 N GLY A 73 15.544 0.212 -2.812 1.00 0.00 N ATOM 1133 CA GLY A 73 15.588 0.464 -4.252 1.00 0.00 C ATOM 1134 C GLY A 73 15.013 -0.692 -5.071 1.00 0.00 C ATOM 1135 O GLY A 73 14.917 -0.575 -6.292 1.00 0.00 O ATOM 0 H GLY A 73 14.624 0.372 -2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.031 1.374 -4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.620 0.640 -4.555 1.00 0.00 H new ATOM 1139 N SER A 74 14.593 -1.780 -4.415 1.00 0.00 N ATOM 1140 CA SER A 74 13.903 -2.908 -5.038 1.00 0.00 C ATOM 1141 C SER A 74 12.423 -2.978 -4.628 1.00 0.00 C ATOM 1142 O SER A 74 11.723 -3.922 -4.998 1.00 0.00 O ATOM 1143 CB SER A 74 14.632 -4.203 -4.689 1.00 0.00 C ATOM 1144 OG SER A 74 16.003 -4.139 -5.059 1.00 0.00 O ATOM 0 H SER A 74 14.729 -1.900 -3.411 1.00 0.00 H new ATOM 0 HA SER A 74 13.918 -2.765 -6.118 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.550 -4.392 -3.619 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.154 -5.040 -5.198 1.00 0.00 H new ATOM 0 HG SER A 74 16.445 -4.981 -4.822 1.00 0.00 H new ATOM 1150 N VAL A 75 11.928 -1.976 -3.900 1.00 0.00 N ATOM 1151 CA VAL A 75 10.510 -1.760 -3.639 1.00 0.00 C ATOM 1152 C VAL A 75 10.171 -0.320 -4.047 1.00 0.00 C ATOM 1153 O VAL A 75 11.070 0.515 -4.188 1.00 0.00 O ATOM 1154 CB VAL A 75 10.191 -2.131 -2.168 1.00 0.00 C ATOM 1155 CG1 VAL A 75 10.802 -1.183 -1.116 1.00 0.00 C ATOM 1156 CG2 VAL A 75 8.685 -2.282 -1.911 1.00 0.00 C ATOM 0 H VAL A 75 12.524 -1.272 -3.464 1.00 0.00 H new ATOM 0 HA VAL A 75 9.867 -2.409 -4.233 1.00 0.00 H new ATOM 0 HB VAL A 75 10.676 -3.099 -2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.526 -1.521 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.888 -1.184 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.425 -0.173 -1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.519 -2.542 -0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.181 -1.342 -2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.284 -3.070 -2.549 1.00 0.00 H new ATOM 1166 N GLU A 76 8.896 0.003 -4.210 1.00 0.00 N ATOM 1167 CA GLU A 76 8.358 1.352 -4.167 1.00 0.00 C ATOM 1168 C GLU A 76 6.960 1.266 -3.577 1.00 0.00 C ATOM 1169 O GLU A 76 6.312 0.216 -3.661 1.00 0.00 O ATOM 1170 CB GLU A 76 8.293 1.982 -5.568 1.00 0.00 C ATOM 1171 CG GLU A 76 9.376 3.051 -5.760 1.00 0.00 C ATOM 1172 CD GLU A 76 9.049 4.384 -5.074 1.00 0.00 C ATOM 1173 OE1 GLU A 76 8.559 4.403 -3.916 1.00 0.00 O ATOM 1174 OE2 GLU A 76 9.308 5.432 -5.706 1.00 0.00 O ATOM 0 H GLU A 76 8.178 -0.700 -4.383 1.00 0.00 H new ATOM 0 HA GLU A 76 9.007 1.983 -3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.411 1.204 -6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.310 2.428 -5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.321 2.673 -5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.518 3.226 -6.827 1.00 0.00 H new ATOM 1181 N LEU A 77 6.488 2.380 -3.027 1.00 0.00 N ATOM 1182 CA LEU A 77 5.135 2.532 -2.517 1.00 0.00 C ATOM 1183 C LEU A 77 4.542 3.734 -3.235 1.00 0.00 C ATOM 1184 O LEU A 77 5.191 4.776 -3.336 1.00 0.00 O ATOM 1185 CB LEU A 77 5.109 2.769 -0.995 1.00 0.00 C ATOM 1186 CG LEU A 77 5.377 1.542 -0.099 1.00 0.00 C ATOM 1187 CD1 LEU A 77 6.825 1.038 -0.161 1.00 0.00 C ATOM 1188 CD2 LEU A 77 5.046 1.919 1.347 1.00 0.00 C ATOM 0 H LEU A 77 7.053 3.223 -2.922 1.00 0.00 H new ATOM 0 HA LEU A 77 4.566 1.620 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.849 3.533 -0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.133 3.177 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 77 4.748 0.731 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.938 0.174 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.067 0.751 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.500 1.830 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.229 1.063 1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.675 2.753 1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.998 2.210 1.416 1.00 0.00 H new ATOM 1200 N TYR A 78 3.305 3.606 -3.693 1.00 0.00 N ATOM 1201 CA TYR A 78 2.562 4.607 -4.430 1.00 0.00 C ATOM 1202 C TYR A 78 1.232 4.838 -3.715 1.00 0.00 C ATOM 1203 O TYR A 78 0.830 4.052 -2.848 1.00 0.00 O ATOM 1204 CB TYR A 78 2.371 4.099 -5.864 1.00 0.00 C ATOM 1205 CG TYR A 78 3.673 3.799 -6.589 1.00 0.00 C ATOM 1206 CD1 TYR A 78 4.431 4.861 -7.125 1.00 0.00 C ATOM 1207 CD2 TYR A 78 4.147 2.472 -6.703 1.00 0.00 C ATOM 1208 CE1 TYR A 78 5.628 4.606 -7.820 1.00 0.00 C ATOM 1209 CE2 TYR A 78 5.328 2.215 -7.415 1.00 0.00 C ATOM 1210 CZ TYR A 78 6.068 3.274 -7.985 1.00 0.00 C ATOM 1211 OH TYR A 78 7.194 2.981 -8.689 1.00 0.00 O ATOM 0 H TYR A 78 2.767 2.752 -3.550 1.00 0.00 H new ATOM 0 HA TYR A 78 3.089 5.560 -4.476 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.763 3.195 -5.841 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.813 4.844 -6.432 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.090 5.878 -7.001 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.602 1.660 -6.244 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.206 5.423 -8.225 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.674 1.198 -7.528 1.00 0.00 H new ATOM 0 HH TYR A 78 7.335 2.011 -8.692 1.00 0.00 H new ATOM 1221 N ALA A 79 0.543 5.924 -4.057 1.00 0.00 N ATOM 1222 CA ALA A 79 -0.732 6.311 -3.479 1.00 0.00 C ATOM 1223 C ALA A 79 -1.685 6.517 -4.646 1.00 0.00 C ATOM 1224 O ALA A 79 -1.492 7.453 -5.422 1.00 0.00 O ATOM 1225 CB ALA A 79 -0.565 7.578 -2.624 1.00 0.00 C ATOM 0 H ALA A 79 0.872 6.577 -4.768 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.128 5.548 -2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.528 7.858 -2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.146 7.384 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.195 8.392 -3.248 1.00 0.00 H new ATOM 1231 N GLU A 80 -2.674 5.642 -4.785 1.00 0.00 N ATOM 1232 CA GLU A 80 -3.689 5.688 -5.824 1.00 0.00 C ATOM 1233 C GLU A 80 -5.048 5.894 -5.179 1.00 0.00 C ATOM 1234 O GLU A 80 -5.252 5.548 -4.008 1.00 0.00 O ATOM 1235 CB GLU A 80 -3.644 4.367 -6.592 1.00 0.00 C ATOM 1236 CG GLU A 80 -4.378 4.327 -7.939 1.00 0.00 C ATOM 1237 CD GLU A 80 -3.689 5.139 -9.039 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -2.948 6.103 -8.747 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -3.956 4.867 -10.232 1.00 0.00 O ATOM 0 H GLU A 80 -2.793 4.852 -4.151 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.508 6.512 -6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.599 4.110 -6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.061 3.588 -5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.465 3.290 -8.265 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.392 4.704 -7.802 1.00 0.00 H new ATOM 1246 N LYS A 81 -5.988 6.475 -5.924 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.232 6.910 -5.358 1.00 0.00 C ATOM 1248 C LYS A 81 -8.377 6.045 -5.854 1.00 0.00 C ATOM 1249 O LYS A 81 -8.507 5.793 -7.054 1.00 0.00 O ATOM 1250 CB LYS A 81 -7.407 8.396 -5.636 1.00 0.00 C ATOM 1251 CG LYS A 81 -8.766 8.786 -5.072 1.00 0.00 C ATOM 1252 CD LYS A 81 -8.862 10.250 -4.685 1.00 0.00 C ATOM 1253 CE LYS A 81 -8.718 11.200 -5.871 1.00 0.00 C ATOM 1254 NZ LYS A 81 -9.770 10.986 -6.883 1.00 0.00 N ATOM 0 H LYS A 81 -5.896 6.649 -6.925 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.230 6.786 -4.275 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.612 8.975 -5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.359 8.598 -6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.535 8.562 -5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.977 8.172 -4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.822 10.428 -4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.088 10.476 -3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.760 12.230 -5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.739 11.060 -6.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.740 11.754 -7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.612 10.076 -7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.701 10.977 -6.419 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.239 5.660 -4.919 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.475 4.965 -5.227 1.00 0.00 C ATOM 1270 C VAL A 82 -11.461 5.977 -5.804 1.00 0.00 C ATOM 1271 O VAL A 82 -11.663 7.052 -5.222 1.00 0.00 O ATOM 1272 CB VAL A 82 -11.035 4.258 -3.980 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -10.013 3.265 -3.418 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -11.481 5.211 -2.882 1.00 0.00 C ATOM 0 H VAL A 82 -9.095 5.824 -3.923 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.294 4.183 -5.965 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.927 3.729 -4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.428 2.776 -2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.781 2.515 -4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.102 3.797 -3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.863 4.639 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.633 5.815 -2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.266 5.864 -3.263 1.00 0.00 H new