USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 553 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 72 SER OG : rot 175:sc= 0.816 USER MOD Set 1.2: A 73 LYS NZ :NH3+ -131:sc= 0.886 (180deg=-0.208) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.799 K(o=0.8,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.489 X(o=0.49,f=0) USER MOD Single : A 30 THR OG1 : rot 155:sc= 2.5 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 36 GLN : amide:sc=-0.00814 K(o=-0.0081,f=-2.2) USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= -1.03 (180deg=-2.26!) USER MOD Single : A 49 ASN : amide:sc= -2.24! C(o=-2.2!,f=-2.2!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 96:sc= 1.38 USER MOD Single : A 60 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.6!) USER MOD Single : A 61 CYS SG : rot -117:sc= -0.712 USER MOD Single : A 65 LYS NZ :NH3+ -136:sc= 0.113 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 150:sc= -0.445 USER MOD Single : A 75 THR OG1 : rot 77:sc= 0.0958 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N PHE A 8 7.848 -3.401 2.216 1.00 0.00 N ATOM 69 CA PHE A 8 7.166 -2.240 2.777 1.00 0.00 C ATOM 70 C PHE A 8 6.459 -2.600 4.079 1.00 0.00 C ATOM 71 O PHE A 8 6.398 -3.769 4.461 1.00 0.00 O ATOM 72 CB PHE A 8 6.156 -1.683 1.771 1.00 0.00 C ATOM 73 CG PHE A 8 6.790 -1.115 0.534 1.00 0.00 C ATOM 74 CD1 PHE A 8 7.102 -1.935 -0.538 1.00 0.00 C ATOM 75 CD2 PHE A 8 7.075 0.239 0.444 1.00 0.00 C ATOM 76 CE1 PHE A 8 7.687 -1.414 -1.679 1.00 0.00 C ATOM 77 CE2 PHE A 8 7.659 0.764 -0.693 1.00 0.00 C ATOM 78 CZ PHE A 8 7.964 -0.064 -1.756 1.00 0.00 C ATOM 0 HA PHE A 8 7.915 -1.477 2.992 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.466 -2.477 1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.564 -0.906 2.255 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.887 -2.992 -0.483 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.838 0.891 1.272 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.927 -2.063 -2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.877 1.820 -0.751 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.419 0.345 -2.646 1.00 0.00 H new ATOM 88 N ARG A 9 5.928 -1.588 4.758 1.00 0.00 N ATOM 89 CA ARG A 9 5.225 -1.798 6.018 1.00 0.00 C ATOM 90 C ARG A 9 3.906 -1.033 6.040 1.00 0.00 C ATOM 91 O ARG A 9 3.764 -0.002 5.384 1.00 0.00 O ATOM 92 CB ARG A 9 6.101 -1.360 7.193 1.00 0.00 C ATOM 93 CG ARG A 9 7.472 -2.017 7.207 1.00 0.00 C ATOM 94 CD ARG A 9 8.306 -1.539 8.384 1.00 0.00 C ATOM 95 NE ARG A 9 9.732 -1.783 8.181 1.00 0.00 N ATOM 96 CZ ARG A 9 10.477 -1.128 7.294 1.00 0.00 C ATOM 97 NH1 ARG A 9 9.936 -0.189 6.528 1.00 0.00 N ATOM 98 NH2 ARG A 9 11.767 -1.413 7.172 1.00 0.00 N ATOM 0 H ARG A 9 5.971 -0.615 4.456 1.00 0.00 H new ATOM 0 HA ARG A 9 5.008 -2.862 6.111 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.226 -0.278 7.159 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.586 -1.592 8.125 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.357 -3.100 7.257 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.993 -1.794 6.276 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.139 -0.473 8.537 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.977 -2.046 9.291 1.00 0.00 H new ATOM 0 HE ARG A 9 10.183 -2.497 8.753 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.945 0.034 6.618 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.512 0.310 5.850 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.188 -2.134 7.758 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.338 -0.911 6.492 1.00 0.00 H new ATOM 112 N VAL A 10 2.942 -1.547 6.799 1.00 0.00 N ATOM 113 CA VAL A 10 1.635 -0.911 6.906 1.00 0.00 C ATOM 114 C VAL A 10 1.723 0.403 7.675 1.00 0.00 C ATOM 115 O VAL A 10 2.118 0.426 8.841 1.00 0.00 O ATOM 116 CB VAL A 10 0.617 -1.832 7.604 1.00 0.00 C ATOM 117 CG1 VAL A 10 -0.781 -1.238 7.533 1.00 0.00 C ATOM 118 CG2 VAL A 10 0.646 -3.223 6.987 1.00 0.00 C ATOM 0 H VAL A 10 3.042 -2.401 7.348 1.00 0.00 H new ATOM 0 HA VAL A 10 1.297 -0.712 5.889 1.00 0.00 H new ATOM 0 HB VAL A 10 0.895 -1.919 8.654 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.485 -1.904 8.032 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.789 -0.266 8.027 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.073 -1.117 6.490 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.079 -3.860 7.492 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.395 -3.157 5.928 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.643 -3.649 7.098 1.00 0.00 H new ATOM 128 N GLY A 11 1.352 1.494 7.014 1.00 0.00 N ATOM 129 CA GLY A 11 1.397 2.798 7.651 1.00 0.00 C ATOM 130 C GLY A 11 2.549 3.649 7.154 1.00 0.00 C ATOM 131 O GLY A 11 3.000 4.559 7.847 1.00 0.00 O ATOM 0 H GLY A 11 1.021 1.499 6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.458 3.321 7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.484 2.669 8.730 1.00 0.00 H new ATOM 135 N GLU A 12 3.024 3.354 5.947 1.00 0.00 N ATOM 136 CA GLU A 12 4.131 4.100 5.358 1.00 0.00 C ATOM 137 C GLU A 12 3.688 4.809 4.083 1.00 0.00 C ATOM 138 O GLU A 12 2.534 4.697 3.667 1.00 0.00 O ATOM 139 CB GLU A 12 5.301 3.163 5.055 1.00 0.00 C ATOM 140 CG GLU A 12 5.938 2.563 6.298 1.00 0.00 C ATOM 141 CD GLU A 12 7.177 3.316 6.739 1.00 0.00 C ATOM 142 OE1 GLU A 12 8.108 3.459 5.920 1.00 0.00 O ATOM 143 OE2 GLU A 12 7.216 3.763 7.905 1.00 0.00 O ATOM 0 H GLU A 12 2.660 2.605 5.359 1.00 0.00 H new ATOM 0 HA GLU A 12 4.455 4.852 6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.952 2.356 4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.060 3.712 4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.210 2.561 7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.200 1.523 6.102 1.00 0.00 H new ATOM 150 N ARG A 13 4.611 5.539 3.465 1.00 0.00 N ATOM 151 CA ARG A 13 4.314 6.265 2.237 1.00 0.00 C ATOM 152 C ARG A 13 4.977 5.600 1.035 1.00 0.00 C ATOM 153 O ARG A 13 6.192 5.399 1.016 1.00 0.00 O ATOM 154 CB ARG A 13 4.782 7.717 2.353 1.00 0.00 C ATOM 155 CG ARG A 13 4.070 8.663 1.399 1.00 0.00 C ATOM 156 CD ARG A 13 2.602 8.825 1.765 1.00 0.00 C ATOM 157 NE ARG A 13 2.354 10.063 2.497 1.00 0.00 N ATOM 158 CZ ARG A 13 2.250 11.258 1.921 1.00 0.00 C ATOM 159 NH1 ARG A 13 2.373 11.380 0.604 1.00 0.00 N ATOM 160 NH2 ARG A 13 2.023 12.334 2.661 1.00 0.00 N ATOM 0 H ARG A 13 5.571 5.643 3.795 1.00 0.00 H new ATOM 0 HA ARG A 13 3.234 6.248 2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.626 8.060 3.376 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.854 7.761 2.162 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.560 9.636 1.417 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.152 8.284 0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.999 8.814 0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.283 7.976 2.370 1.00 0.00 H new ATOM 0 HE ARG A 13 2.254 10.009 3.511 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.548 10.555 0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.292 12.298 0.167 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.928 12.246 3.673 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.943 13.250 2.219 1.00 0.00 H new ATOM 174 N VAL A 14 4.171 5.261 0.034 1.00 0.00 N ATOM 175 CA VAL A 14 4.678 4.619 -1.172 1.00 0.00 C ATOM 176 C VAL A 14 4.276 5.403 -2.418 1.00 0.00 C ATOM 177 O VAL A 14 3.610 6.434 -2.325 1.00 0.00 O ATOM 178 CB VAL A 14 4.163 3.173 -1.300 1.00 0.00 C ATOM 179 CG1 VAL A 14 4.703 2.312 -0.168 1.00 0.00 C ATOM 180 CG2 VAL A 14 2.642 3.147 -1.321 1.00 0.00 C ATOM 0 H VAL A 14 3.164 5.421 0.035 1.00 0.00 H new ATOM 0 HA VAL A 14 5.765 4.601 -1.089 1.00 0.00 H new ATOM 0 HB VAL A 14 4.523 2.761 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.329 1.294 -0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.792 2.304 -0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.375 2.721 0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.297 2.117 -1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.258 3.578 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.280 3.727 -2.170 1.00 0.00 H new ATOM 190 N TRP A 15 4.685 4.908 -3.581 1.00 0.00 N ATOM 191 CA TRP A 15 4.366 5.566 -4.844 1.00 0.00 C ATOM 192 C TRP A 15 3.950 4.546 -5.900 1.00 0.00 C ATOM 193 O TRP A 15 4.793 3.872 -6.493 1.00 0.00 O ATOM 194 CB TRP A 15 5.569 6.374 -5.339 1.00 0.00 C ATOM 195 CG TRP A 15 5.361 7.856 -5.259 1.00 0.00 C ATOM 196 CD1 TRP A 15 5.103 8.705 -6.296 1.00 0.00 C ATOM 197 CD2 TRP A 15 5.394 8.663 -4.077 1.00 0.00 C ATOM 198 NE1 TRP A 15 4.974 9.992 -5.831 1.00 0.00 N ATOM 199 CE2 TRP A 15 5.148 9.992 -4.471 1.00 0.00 C ATOM 200 CE3 TRP A 15 5.607 8.392 -2.722 1.00 0.00 C ATOM 201 CZ2 TRP A 15 5.110 11.045 -3.561 1.00 0.00 C ATOM 202 CZ3 TRP A 15 5.568 9.438 -1.820 1.00 0.00 C ATOM 203 CH2 TRP A 15 5.321 10.750 -2.242 1.00 0.00 C ATOM 0 H TRP A 15 5.237 4.055 -3.676 1.00 0.00 H new ATOM 0 HA TRP A 15 3.529 6.243 -4.673 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.446 6.105 -4.750 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.782 6.099 -6.372 1.00 0.00 H new ATOM 0 HD1 TRP A 15 5.013 8.409 -7.331 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.780 10.813 -6.404 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.799 7.383 -2.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.921 12.058 -3.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.731 9.240 -0.771 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.297 11.545 -1.511 1.00 0.00 H new ATOM 214 N VAL A 16 2.646 4.440 -6.131 1.00 0.00 N ATOM 215 CA VAL A 16 2.119 3.504 -7.117 1.00 0.00 C ATOM 216 C VAL A 16 2.433 3.971 -8.535 1.00 0.00 C ATOM 217 O VAL A 16 2.182 5.122 -8.889 1.00 0.00 O ATOM 218 CB VAL A 16 0.596 3.331 -6.970 1.00 0.00 C ATOM 219 CG1 VAL A 16 0.094 2.213 -7.870 1.00 0.00 C ATOM 220 CG2 VAL A 16 0.227 3.065 -5.519 1.00 0.00 C ATOM 0 H VAL A 16 1.935 4.990 -5.649 1.00 0.00 H new ATOM 0 HA VAL A 16 2.603 2.544 -6.936 1.00 0.00 H new ATOM 0 HB VAL A 16 0.113 4.258 -7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.984 2.107 -7.751 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.323 2.451 -8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.583 1.278 -7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.853 2.945 -5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.721 2.155 -5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.549 3.904 -4.902 1.00 0.00 H new ATOM 230 N ASN A 17 2.987 3.071 -9.340 1.00 0.00 N ATOM 231 CA ASN A 17 3.338 3.394 -10.720 1.00 0.00 C ATOM 232 C ASN A 17 4.288 4.589 -10.778 1.00 0.00 C ATOM 233 O ASN A 17 4.380 5.271 -11.798 1.00 0.00 O ATOM 234 CB ASN A 17 2.074 3.688 -11.532 1.00 0.00 C ATOM 235 CG ASN A 17 1.860 2.690 -12.652 1.00 0.00 C ATOM 236 OD1 ASN A 17 1.439 1.556 -12.418 1.00 0.00 O ATOM 237 ND2 ASN A 17 2.151 3.106 -13.880 1.00 0.00 N ATOM 0 H ASN A 17 3.203 2.114 -9.062 1.00 0.00 H new ATOM 0 HA ASN A 17 3.847 2.532 -11.151 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.209 3.676 -10.869 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.141 4.692 -11.952 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.028 2.478 -14.674 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.497 4.054 -14.029 1.00 0.00 H new ATOM 244 N GLY A 18 4.992 4.838 -9.676 1.00 0.00 N ATOM 245 CA GLY A 18 5.923 5.949 -9.626 1.00 0.00 C ATOM 246 C GLY A 18 5.260 7.282 -9.920 1.00 0.00 C ATOM 247 O GLY A 18 5.849 8.144 -10.570 1.00 0.00 O ATOM 0 H GLY A 18 4.933 4.289 -8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.384 5.987 -8.639 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.724 5.779 -10.346 1.00 0.00 H new ATOM 251 N ASN A 19 4.031 7.450 -9.441 1.00 0.00 N ATOM 252 CA ASN A 19 3.291 8.689 -9.659 1.00 0.00 C ATOM 253 C ASN A 19 1.917 8.633 -8.992 1.00 0.00 C ATOM 254 O ASN A 19 0.928 9.107 -9.549 1.00 0.00 O ATOM 255 CB ASN A 19 3.135 8.957 -11.159 1.00 0.00 C ATOM 256 CG ASN A 19 3.586 10.353 -11.546 1.00 0.00 C ATOM 257 OD1 ASN A 19 2.769 11.258 -11.712 1.00 0.00 O ATOM 258 ND2 ASN A 19 4.893 10.532 -11.691 1.00 0.00 N ATOM 0 H ASN A 19 3.528 6.746 -8.901 1.00 0.00 H new ATOM 0 HA ASN A 19 3.857 9.504 -9.208 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.714 8.223 -11.719 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.091 8.823 -11.443 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.256 11.449 -11.950 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.534 9.752 -11.543 1.00 0.00 H new ATOM 265 N LYS A 20 1.865 8.054 -7.797 1.00 0.00 N ATOM 266 CA LYS A 20 0.613 7.941 -7.057 1.00 0.00 C ATOM 267 C LYS A 20 0.872 7.632 -5.585 1.00 0.00 C ATOM 268 O LYS A 20 0.958 6.468 -5.193 1.00 0.00 O ATOM 269 CB LYS A 20 -0.270 6.851 -7.670 1.00 0.00 C ATOM 270 CG LYS A 20 -1.161 7.350 -8.796 1.00 0.00 C ATOM 271 CD LYS A 20 -2.305 6.388 -9.068 1.00 0.00 C ATOM 272 CE LYS A 20 -3.232 6.918 -10.150 1.00 0.00 C ATOM 273 NZ LYS A 20 -2.767 6.542 -11.514 1.00 0.00 N ATOM 0 H LYS A 20 2.674 7.656 -7.321 1.00 0.00 H new ATOM 0 HA LYS A 20 0.097 8.899 -7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.366 6.051 -8.049 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.895 6.419 -6.888 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.562 8.330 -8.537 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.568 7.477 -9.702 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.904 5.421 -9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.871 6.225 -8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.237 6.529 -9.989 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.295 8.004 -10.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.426 6.922 -12.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.818 6.935 -11.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.732 5.506 -11.595 1.00 0.00 H new ATOM 287 N PRO A 21 1.000 8.675 -4.745 1.00 0.00 N ATOM 288 CA PRO A 21 1.249 8.505 -3.310 1.00 0.00 C ATOM 289 C PRO A 21 0.045 7.923 -2.577 1.00 0.00 C ATOM 290 O PRO A 21 -1.098 8.114 -2.991 1.00 0.00 O ATOM 291 CB PRO A 21 1.532 9.929 -2.827 1.00 0.00 C ATOM 292 CG PRO A 21 0.834 10.807 -3.805 1.00 0.00 C ATOM 293 CD PRO A 21 0.910 10.097 -5.127 1.00 0.00 C ATOM 0 HA PRO A 21 2.063 7.806 -3.118 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.156 10.086 -1.816 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.602 10.134 -2.805 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.202 10.973 -3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.310 11.786 -3.860 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.031 10.294 -5.740 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.779 10.414 -5.704 1.00 0.00 H new ATOM 301 N GLY A 22 0.310 7.212 -1.486 1.00 0.00 N ATOM 302 CA GLY A 22 -0.762 6.613 -0.712 1.00 0.00 C ATOM 303 C GLY A 22 -0.248 5.811 0.467 1.00 0.00 C ATOM 304 O GLY A 22 0.861 5.278 0.428 1.00 0.00 O ATOM 0 H GLY A 22 1.248 7.040 -1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.428 7.397 -0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.354 5.965 -1.358 1.00 0.00 H new ATOM 308 N PHE A 23 -1.055 5.727 1.521 1.00 0.00 N ATOM 309 CA PHE A 23 -0.674 4.985 2.718 1.00 0.00 C ATOM 310 C PHE A 23 -1.116 3.528 2.619 1.00 0.00 C ATOM 311 O PHE A 23 -2.218 3.233 2.154 1.00 0.00 O ATOM 312 CB PHE A 23 -1.285 5.633 3.961 1.00 0.00 C ATOM 313 CG PHE A 23 -0.533 6.842 4.439 1.00 0.00 C ATOM 314 CD1 PHE A 23 0.549 6.706 5.294 1.00 0.00 C ATOM 315 CD2 PHE A 23 -0.907 8.113 4.033 1.00 0.00 C ATOM 316 CE1 PHE A 23 1.243 7.817 5.736 1.00 0.00 C ATOM 317 CE2 PHE A 23 -0.217 9.227 4.472 1.00 0.00 C ATOM 318 CZ PHE A 23 0.859 9.079 5.324 1.00 0.00 C ATOM 0 H PHE A 23 -1.976 6.163 1.570 1.00 0.00 H new ATOM 0 HA PHE A 23 0.413 5.011 2.801 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.314 5.918 3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.321 4.897 4.764 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.853 5.722 5.618 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.747 8.234 3.366 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.084 7.699 6.403 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.519 10.212 4.149 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.400 9.948 5.668 1.00 0.00 H new ATOM 328 N ILE A 24 -0.252 2.622 3.063 1.00 0.00 N ATOM 329 CA ILE A 24 -0.555 1.197 3.027 1.00 0.00 C ATOM 330 C ILE A 24 -1.411 0.786 4.219 1.00 0.00 C ATOM 331 O ILE A 24 -1.143 1.181 5.354 1.00 0.00 O ATOM 332 CB ILE A 24 0.733 0.349 3.018 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.704 0.869 1.957 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.402 -1.115 2.770 1.00 0.00 C ATOM 335 CD1 ILE A 24 3.118 0.356 2.130 1.00 0.00 C ATOM 0 H ILE A 24 0.663 2.849 3.452 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.109 1.015 2.106 1.00 0.00 H new ATOM 0 HB ILE A 24 1.212 0.432 3.994 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.340 0.582 0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.715 1.958 1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.321 -1.700 2.767 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.256 -1.478 3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.097 -1.217 1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.752 0.765 1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.501 0.666 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.120 -0.732 2.069 1.00 0.00 H new ATOM 347 N GLN A 25 -2.442 -0.010 3.956 1.00 0.00 N ATOM 348 CA GLN A 25 -3.339 -0.474 5.007 1.00 0.00 C ATOM 349 C GLN A 25 -3.335 -1.998 5.093 1.00 0.00 C ATOM 350 O GLN A 25 -3.145 -2.568 6.168 1.00 0.00 O ATOM 351 CB GLN A 25 -4.760 0.030 4.755 1.00 0.00 C ATOM 352 CG GLN A 25 -4.843 1.533 4.540 1.00 0.00 C ATOM 353 CD GLN A 25 -4.767 2.313 5.838 1.00 0.00 C ATOM 354 OE1 GLN A 25 -5.777 2.812 6.336 1.00 0.00 O ATOM 355 NE2 GLN A 25 -3.566 2.421 6.394 1.00 0.00 N ATOM 0 H GLN A 25 -2.677 -0.347 3.023 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.983 -0.073 5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.167 -0.477 3.880 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.389 -0.243 5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.032 1.848 3.883 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.776 1.772 4.031 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.756 1.991 5.946 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.453 2.933 7.269 1.00 0.00 H new ATOM 364 N PHE A 26 -3.545 -2.650 3.955 1.00 0.00 N ATOM 365 CA PHE A 26 -3.567 -4.107 3.901 1.00 0.00 C ATOM 366 C PHE A 26 -2.398 -4.639 3.079 1.00 0.00 C ATOM 367 O PHE A 26 -1.939 -3.989 2.139 1.00 0.00 O ATOM 368 CB PHE A 26 -4.888 -4.597 3.306 1.00 0.00 C ATOM 369 CG PHE A 26 -5.187 -6.036 3.613 1.00 0.00 C ATOM 370 CD1 PHE A 26 -4.622 -7.052 2.858 1.00 0.00 C ATOM 371 CD2 PHE A 26 -6.034 -6.375 4.657 1.00 0.00 C ATOM 372 CE1 PHE A 26 -4.896 -8.377 3.138 1.00 0.00 C ATOM 373 CE2 PHE A 26 -6.311 -7.698 4.941 1.00 0.00 C ATOM 374 CZ PHE A 26 -5.741 -8.700 4.181 1.00 0.00 C ATOM 0 H PHE A 26 -3.702 -2.192 3.057 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.473 -4.484 4.919 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.700 -3.977 3.685 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.862 -4.462 2.225 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.960 -6.805 2.041 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.482 -5.596 5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.450 -9.159 2.542 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.973 -7.949 5.757 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.956 -9.735 4.402 1.00 0.00 H new ATOM 384 N LEU A 27 -1.919 -5.826 3.439 1.00 0.00 N ATOM 385 CA LEU A 27 -0.804 -6.446 2.733 1.00 0.00 C ATOM 386 C LEU A 27 -0.976 -7.960 2.667 1.00 0.00 C ATOM 387 O LEU A 27 -0.699 -8.669 3.635 1.00 0.00 O ATOM 388 CB LEU A 27 0.518 -6.102 3.424 1.00 0.00 C ATOM 389 CG LEU A 27 1.137 -4.764 3.011 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.368 -4.464 3.852 1.00 0.00 C ATOM 391 CD2 LEU A 27 1.488 -4.773 1.529 1.00 0.00 C ATOM 0 H LEU A 27 -2.286 -6.377 4.215 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.788 -6.055 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.355 -6.092 4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.236 -6.896 3.217 1.00 0.00 H new ATOM 0 HG LEU A 27 0.404 -3.976 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.795 -3.509 3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.087 -4.414 4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.106 -5.254 3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.927 -3.814 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.204 -5.570 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.585 -4.941 0.942 1.00 0.00 H new ATOM 403 N GLY A 28 -1.435 -8.449 1.520 1.00 0.00 N ATOM 404 CA GLY A 28 -1.636 -9.875 1.350 1.00 0.00 C ATOM 405 C GLY A 28 -2.577 -10.196 0.205 1.00 0.00 C ATOM 406 O GLY A 28 -3.104 -9.294 -0.445 1.00 0.00 O ATOM 0 H GLY A 28 -1.671 -7.883 0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.674 -10.356 1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.035 -10.295 2.273 1.00 0.00 H new ATOM 410 N GLU A 29 -2.788 -11.485 -0.041 1.00 0.00 N ATOM 411 CA GLU A 29 -3.670 -11.924 -1.115 1.00 0.00 C ATOM 412 C GLU A 29 -5.128 -11.634 -0.773 1.00 0.00 C ATOM 413 O GLU A 29 -5.479 -11.454 0.393 1.00 0.00 O ATOM 414 CB GLU A 29 -3.484 -13.419 -1.379 1.00 0.00 C ATOM 415 CG GLU A 29 -3.741 -14.288 -0.158 1.00 0.00 C ATOM 416 CD GLU A 29 -5.109 -14.942 -0.185 1.00 0.00 C ATOM 417 OE1 GLU A 29 -5.494 -15.470 -1.250 1.00 0.00 O ATOM 418 OE2 GLU A 29 -5.795 -14.926 0.858 1.00 0.00 O ATOM 0 H GLU A 29 -2.360 -12.244 0.489 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.408 -11.369 -2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.157 -13.725 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.468 -13.594 -1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.974 -15.060 -0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.651 -13.680 0.742 1.00 0.00 H new ATOM 425 N THR A 30 -5.973 -11.590 -1.798 1.00 0.00 N ATOM 426 CA THR A 30 -7.394 -11.322 -1.608 1.00 0.00 C ATOM 427 C THR A 30 -8.238 -12.495 -2.093 1.00 0.00 C ATOM 428 O THR A 30 -7.708 -13.539 -2.473 1.00 0.00 O ATOM 429 CB THR A 30 -7.798 -10.047 -2.349 1.00 0.00 C ATOM 430 OG1 THR A 30 -7.671 -10.219 -3.750 1.00 0.00 O ATOM 431 CG2 THR A 30 -6.971 -8.840 -1.958 1.00 0.00 C ATOM 0 H THR A 30 -5.698 -11.737 -2.769 1.00 0.00 H new ATOM 0 HA THR A 30 -7.573 -11.185 -0.541 1.00 0.00 H new ATOM 0 HB THR A 30 -8.835 -9.865 -2.066 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.282 -9.607 -4.211 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.309 -7.970 -2.520 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.086 -8.650 -0.891 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.921 -9.031 -2.181 1.00 0.00 H new ATOM 439 N GLN A 31 -9.555 -12.317 -2.076 1.00 0.00 N ATOM 440 CA GLN A 31 -10.473 -13.363 -2.513 1.00 0.00 C ATOM 441 C GLN A 31 -10.965 -13.096 -3.932 1.00 0.00 C ATOM 442 O GLN A 31 -11.257 -14.027 -4.683 1.00 0.00 O ATOM 443 CB GLN A 31 -11.664 -13.457 -1.557 1.00 0.00 C ATOM 444 CG GLN A 31 -11.272 -13.795 -0.128 1.00 0.00 C ATOM 445 CD GLN A 31 -12.400 -14.449 0.647 1.00 0.00 C ATOM 446 OE1 GLN A 31 -12.827 -15.558 0.327 1.00 0.00 O ATOM 447 NE2 GLN A 31 -12.889 -13.762 1.673 1.00 0.00 N ATOM 0 H GLN A 31 -10.010 -11.459 -1.765 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.935 -14.311 -2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.200 -12.508 -1.563 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.355 -14.216 -1.924 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.410 -14.462 -0.140 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.964 -12.884 0.385 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.505 -12.846 1.903 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.649 -14.151 2.231 1.00 0.00 H new ATOM 456 N PHE A 32 -11.058 -11.820 -4.292 1.00 0.00 N ATOM 457 CA PHE A 32 -11.515 -11.432 -5.620 1.00 0.00 C ATOM 458 C PHE A 32 -10.497 -11.826 -6.685 1.00 0.00 C ATOM 459 O PHE A 32 -10.859 -12.137 -7.820 1.00 0.00 O ATOM 460 CB PHE A 32 -11.771 -9.924 -5.675 1.00 0.00 C ATOM 461 CG PHE A 32 -10.575 -9.098 -5.300 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.501 -8.978 -6.167 1.00 0.00 C ATOM 463 CD2 PHE A 32 -10.524 -8.440 -4.082 1.00 0.00 C ATOM 464 CE1 PHE A 32 -8.399 -8.218 -5.826 1.00 0.00 C ATOM 465 CE2 PHE A 32 -9.425 -7.679 -3.735 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.360 -7.568 -4.608 1.00 0.00 C ATOM 0 H PHE A 32 -10.823 -11.037 -3.682 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.447 -11.959 -5.823 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.087 -9.654 -6.683 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.596 -9.679 -5.006 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.526 -9.485 -7.121 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.354 -8.523 -3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.569 -8.132 -6.511 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.398 -7.171 -2.782 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.499 -6.974 -4.339 1.00 0.00 H new ATOM 476 N ALA A 33 -9.221 -11.812 -6.313 1.00 0.00 N ATOM 477 CA ALA A 33 -8.152 -12.168 -7.237 1.00 0.00 C ATOM 478 C ALA A 33 -6.973 -12.802 -6.498 1.00 0.00 C ATOM 479 O ALA A 33 -6.570 -12.323 -5.439 1.00 0.00 O ATOM 480 CB ALA A 33 -7.692 -10.940 -8.009 1.00 0.00 C ATOM 0 H ALA A 33 -8.903 -11.558 -5.378 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.544 -12.902 -7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.893 -11.220 -8.696 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.529 -10.531 -8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.323 -10.188 -7.311 1.00 0.00 H new ATOM 486 N PRO A 34 -6.402 -13.891 -7.046 1.00 0.00 N ATOM 487 CA PRO A 34 -5.265 -14.581 -6.426 1.00 0.00 C ATOM 488 C PRO A 34 -4.074 -13.653 -6.209 1.00 0.00 C ATOM 489 O PRO A 34 -4.215 -12.431 -6.232 1.00 0.00 O ATOM 490 CB PRO A 34 -4.907 -15.675 -7.437 1.00 0.00 C ATOM 491 CG PRO A 34 -6.142 -15.876 -8.244 1.00 0.00 C ATOM 492 CD PRO A 34 -6.815 -14.535 -8.307 1.00 0.00 C ATOM 0 HA PRO A 34 -5.517 -14.964 -5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -4.070 -15.372 -8.066 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.611 -16.595 -6.934 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.901 -16.239 -9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.793 -16.619 -7.783 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.491 -13.963 -9.176 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.899 -14.631 -8.374 1.00 0.00 H new ATOM 500 N GLY A 35 -2.902 -14.243 -5.999 1.00 0.00 N ATOM 501 CA GLY A 35 -1.703 -13.455 -5.782 1.00 0.00 C ATOM 502 C GLY A 35 -1.809 -12.557 -4.566 1.00 0.00 C ATOM 503 O GLY A 35 -2.900 -12.339 -4.039 1.00 0.00 O ATOM 0 H GLY A 35 -2.761 -15.253 -5.975 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.850 -14.123 -5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.509 -12.845 -6.664 1.00 0.00 H new ATOM 507 N GLN A 36 -0.671 -12.035 -4.118 1.00 0.00 N ATOM 508 CA GLN A 36 -0.638 -11.155 -2.955 1.00 0.00 C ATOM 509 C GLN A 36 -0.859 -9.703 -3.367 1.00 0.00 C ATOM 510 O GLN A 36 -0.085 -9.144 -4.144 1.00 0.00 O ATOM 511 CB GLN A 36 0.697 -11.297 -2.221 1.00 0.00 C ATOM 512 CG GLN A 36 0.581 -12.001 -0.879 1.00 0.00 C ATOM 513 CD GLN A 36 0.630 -13.511 -1.006 1.00 0.00 C ATOM 514 OE1 GLN A 36 0.550 -14.056 -2.106 1.00 0.00 O ATOM 515 NE2 GLN A 36 0.761 -14.196 0.124 1.00 0.00 N ATOM 0 H GLN A 36 0.240 -12.206 -4.543 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.445 -11.448 -2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.393 -11.849 -2.853 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.124 -10.306 -2.067 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.389 -11.669 -0.228 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.354 -11.711 -0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.824 -13.703 1.015 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.799 -15.215 0.101 1.00 0.00 H new ATOM 524 N TRP A 37 -1.918 -9.097 -2.840 1.00 0.00 N ATOM 525 CA TRP A 37 -2.238 -7.709 -3.151 1.00 0.00 C ATOM 526 C TRP A 37 -1.800 -6.783 -2.022 1.00 0.00 C ATOM 527 O TRP A 37 -1.505 -7.235 -0.915 1.00 0.00 O ATOM 528 CB TRP A 37 -3.739 -7.554 -3.402 1.00 0.00 C ATOM 529 CG TRP A 37 -4.221 -8.302 -4.607 1.00 0.00 C ATOM 530 CD1 TRP A 37 -4.550 -9.626 -4.673 1.00 0.00 C ATOM 531 CD2 TRP A 37 -4.428 -7.772 -5.922 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.949 -9.951 -5.946 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.883 -8.829 -6.731 1.00 0.00 C ATOM 534 CE3 TRP A 37 -4.273 -6.504 -6.491 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -5.184 -8.658 -8.080 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -4.572 -6.336 -7.830 1.00 0.00 C ATOM 537 CH2 TRP A 37 -5.024 -7.407 -8.612 1.00 0.00 C ATOM 0 H TRP A 37 -2.569 -9.546 -2.196 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.695 -7.431 -4.054 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.284 -7.903 -2.525 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.972 -6.496 -3.523 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -4.503 -10.317 -3.844 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -5.246 -10.876 -6.257 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.926 -5.672 -5.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.531 -9.483 -8.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.455 -5.362 -8.281 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.251 -7.242 -9.655 1.00 0.00 H new ATOM 548 N ALA A 38 -1.761 -5.487 -2.308 1.00 0.00 N ATOM 549 CA ALA A 38 -1.360 -4.496 -1.315 1.00 0.00 C ATOM 550 C ALA A 38 -2.319 -3.311 -1.306 1.00 0.00 C ATOM 551 O ALA A 38 -2.339 -2.509 -2.239 1.00 0.00 O ATOM 552 CB ALA A 38 0.061 -4.027 -1.583 1.00 0.00 C ATOM 0 H ALA A 38 -2.002 -5.097 -3.219 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.396 -4.966 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.347 -3.288 -0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.741 -4.878 -1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.115 -3.579 -2.575 1.00 0.00 H new ATOM 558 N GLY A 39 -3.111 -3.206 -0.244 1.00 0.00 N ATOM 559 CA GLY A 39 -4.062 -2.115 -0.133 1.00 0.00 C ATOM 560 C GLY A 39 -3.393 -0.794 0.191 1.00 0.00 C ATOM 561 O GLY A 39 -2.555 -0.719 1.091 1.00 0.00 O ATOM 0 H GLY A 39 -3.111 -3.857 0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.612 -2.020 -1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.791 -2.350 0.643 1.00 0.00 H new ATOM 565 N ILE A 40 -3.764 0.250 -0.542 1.00 0.00 N ATOM 566 CA ILE A 40 -3.195 1.574 -0.329 1.00 0.00 C ATOM 567 C ILE A 40 -4.276 2.650 -0.368 1.00 0.00 C ATOM 568 O ILE A 40 -5.271 2.517 -1.081 1.00 0.00 O ATOM 569 CB ILE A 40 -2.121 1.904 -1.384 1.00 0.00 C ATOM 570 CG1 ILE A 40 -1.128 0.747 -1.511 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.399 3.193 -1.021 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.161 0.905 -2.664 1.00 0.00 C ATOM 0 H ILE A 40 -4.457 0.204 -1.289 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.732 1.562 0.658 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.610 2.045 -2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.563 0.660 -0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.681 -0.184 -1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.644 3.412 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.117 4.012 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.918 3.080 -0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.513 0.049 -2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.717 0.962 -3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.418 1.819 -2.530 1.00 0.00 H new ATOM 584 N VAL A 41 -4.074 3.714 0.402 1.00 0.00 N ATOM 585 CA VAL A 41 -5.031 4.811 0.454 1.00 0.00 C ATOM 586 C VAL A 41 -4.550 5.999 -0.370 1.00 0.00 C ATOM 587 O VAL A 41 -3.522 6.604 -0.066 1.00 0.00 O ATOM 588 CB VAL A 41 -5.280 5.272 1.903 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.422 6.274 1.957 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.564 4.078 2.802 1.00 0.00 C ATOM 0 H VAL A 41 -3.256 3.839 0.998 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.965 4.436 0.035 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.379 5.765 2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.582 6.588 2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.173 7.143 1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.331 5.811 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.737 4.423 3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.449 3.553 2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.710 3.401 2.788 1.00 0.00 H new ATOM 600 N LEU A 42 -5.301 6.331 -1.415 1.00 0.00 N ATOM 601 CA LEU A 42 -4.951 7.448 -2.284 1.00 0.00 C ATOM 602 C LEU A 42 -5.354 8.775 -1.652 1.00 0.00 C ATOM 603 O LEU A 42 -6.462 8.916 -1.133 1.00 0.00 O ATOM 604 CB LEU A 42 -5.629 7.292 -3.647 1.00 0.00 C ATOM 605 CG LEU A 42 -5.277 6.010 -4.403 1.00 0.00 C ATOM 606 CD1 LEU A 42 -6.320 5.716 -5.470 1.00 0.00 C ATOM 607 CD2 LEU A 42 -3.893 6.120 -5.022 1.00 0.00 C ATOM 0 H LEU A 42 -6.156 5.842 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.870 7.445 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.709 7.326 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.362 8.147 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.271 5.182 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.053 4.800 -5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.296 5.593 -5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.360 6.544 -6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.659 5.199 -5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.871 6.959 -5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.155 6.281 -4.236 1.00 0.00 H new ATOM 619 N ASP A 43 -4.449 9.746 -1.697 1.00 0.00 N ATOM 620 CA ASP A 43 -4.709 11.063 -1.127 1.00 0.00 C ATOM 621 C ASP A 43 -5.919 11.714 -1.791 1.00 0.00 C ATOM 622 O ASP A 43 -6.750 12.328 -1.122 1.00 0.00 O ATOM 623 CB ASP A 43 -3.482 11.962 -1.284 1.00 0.00 C ATOM 624 CG ASP A 43 -2.533 11.855 -0.106 1.00 0.00 C ATOM 625 OD1 ASP A 43 -1.670 10.952 -0.119 1.00 0.00 O ATOM 626 OD2 ASP A 43 -2.652 12.675 0.828 1.00 0.00 O ATOM 0 H ASP A 43 -3.528 9.646 -2.123 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.924 10.936 -0.066 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.953 11.694 -2.199 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.805 12.997 -1.394 1.00 0.00 H new ATOM 631 N GLU A 44 -6.009 11.577 -3.110 1.00 0.00 N ATOM 632 CA GLU A 44 -7.118 12.152 -3.863 1.00 0.00 C ATOM 633 C GLU A 44 -8.161 11.089 -4.196 1.00 0.00 C ATOM 634 O GLU A 44 -7.821 9.933 -4.449 1.00 0.00 O ATOM 635 CB GLU A 44 -6.604 12.801 -5.150 1.00 0.00 C ATOM 636 CG GLU A 44 -5.691 13.991 -4.910 1.00 0.00 C ATOM 637 CD GLU A 44 -6.455 15.250 -4.552 1.00 0.00 C ATOM 638 OE1 GLU A 44 -7.217 15.221 -3.562 1.00 0.00 O ATOM 639 OE2 GLU A 44 -6.294 16.264 -5.262 1.00 0.00 O ATOM 0 H GLU A 44 -5.328 11.074 -3.679 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.590 12.914 -3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.067 12.054 -5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.455 13.122 -5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.994 13.753 -4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.096 14.174 -5.805 1.00 0.00 H new ATOM 646 N PRO A 45 -9.452 11.466 -4.203 1.00 0.00 N ATOM 647 CA PRO A 45 -10.543 10.537 -4.508 1.00 0.00 C ATOM 648 C PRO A 45 -10.597 10.172 -5.989 1.00 0.00 C ATOM 649 O PRO A 45 -11.396 10.723 -6.746 1.00 0.00 O ATOM 650 CB PRO A 45 -11.794 11.318 -4.103 1.00 0.00 C ATOM 651 CG PRO A 45 -11.410 12.749 -4.258 1.00 0.00 C ATOM 652 CD PRO A 45 -9.948 12.826 -3.913 1.00 0.00 C ATOM 0 HA PRO A 45 -10.429 9.587 -3.986 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.643 11.064 -4.738 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.086 11.095 -3.077 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.589 13.093 -5.277 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.000 13.385 -3.599 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.433 13.577 -4.512 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.796 13.094 -2.867 1.00 0.00 H new ATOM 660 N ILE A 46 -9.740 9.240 -6.394 1.00 0.00 N ATOM 661 CA ILE A 46 -9.690 8.801 -7.783 1.00 0.00 C ATOM 662 C ILE A 46 -9.445 7.298 -7.877 1.00 0.00 C ATOM 663 O ILE A 46 -8.831 6.818 -8.830 1.00 0.00 O ATOM 664 CB ILE A 46 -8.588 9.539 -8.566 1.00 0.00 C ATOM 665 CG1 ILE A 46 -7.244 9.406 -7.846 1.00 0.00 C ATOM 666 CG2 ILE A 46 -8.956 11.004 -8.746 1.00 0.00 C ATOM 667 CD1 ILE A 46 -6.059 9.348 -8.786 1.00 0.00 C ATOM 0 H ILE A 46 -9.071 8.775 -5.780 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.659 9.037 -8.224 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.497 9.084 -9.552 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.119 10.250 -7.168 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.256 8.504 -7.234 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.167 11.512 -9.301 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.893 11.079 -9.297 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.071 11.473 -7.769 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.140 9.254 -8.208 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.161 8.488 -9.448 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.021 10.261 -9.381 1.00 0.00 H new ATOM 679 N GLY A 47 -9.928 6.562 -6.881 1.00 0.00 N ATOM 680 CA GLY A 47 -9.751 5.123 -6.871 1.00 0.00 C ATOM 681 C GLY A 47 -10.960 4.385 -7.411 1.00 0.00 C ATOM 682 O GLY A 47 -11.680 4.902 -8.266 1.00 0.00 O ATOM 0 H GLY A 47 -10.438 6.937 -6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.876 4.864 -7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.553 4.792 -5.852 1.00 0.00 H new ATOM 686 N LYS A 48 -11.184 3.174 -6.911 1.00 0.00 N ATOM 687 CA LYS A 48 -12.315 2.363 -7.349 1.00 0.00 C ATOM 688 C LYS A 48 -13.150 1.907 -6.158 1.00 0.00 C ATOM 689 O LYS A 48 -14.379 1.976 -6.186 1.00 0.00 O ATOM 690 CB LYS A 48 -11.822 1.148 -8.136 1.00 0.00 C ATOM 691 CG LYS A 48 -11.155 1.507 -9.454 1.00 0.00 C ATOM 692 CD LYS A 48 -9.989 0.581 -9.759 1.00 0.00 C ATOM 693 CE LYS A 48 -9.145 1.107 -10.909 1.00 0.00 C ATOM 694 NZ LYS A 48 -7.687 0.983 -10.631 1.00 0.00 N ATOM 0 H LYS A 48 -10.598 2.733 -6.203 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.942 2.977 -7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.116 0.589 -7.521 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.666 0.487 -8.333 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.886 1.450 -10.260 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.802 2.538 -9.415 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.367 0.472 -8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.366 -0.411 -10.007 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.389 0.558 -11.819 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.392 2.153 -11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.162 0.972 -11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.373 1.791 -10.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.506 0.099 -10.114 1.00 0.00 H new ATOM 708 N ASN A 49 -12.476 1.441 -5.112 1.00 0.00 N ATOM 709 CA ASN A 49 -13.156 0.971 -3.911 1.00 0.00 C ATOM 710 C ASN A 49 -12.936 1.937 -2.750 1.00 0.00 C ATOM 711 O ASN A 49 -12.360 3.011 -2.923 1.00 0.00 O ATOM 712 CB ASN A 49 -12.659 -0.424 -3.529 1.00 0.00 C ATOM 713 CG ASN A 49 -12.740 -1.402 -4.686 1.00 0.00 C ATOM 714 OD1 ASN A 49 -13.825 -1.724 -5.167 1.00 0.00 O ATOM 715 ND2 ASN A 49 -11.586 -1.879 -5.137 1.00 0.00 N ATOM 0 H ASN A 49 -11.459 1.379 -5.072 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.224 0.922 -4.124 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.627 -0.358 -3.184 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.250 -0.802 -2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.576 -2.541 -5.913 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.709 -1.584 -4.707 1.00 0.00 H new ATOM 722 N ASP A 50 -13.398 1.545 -1.567 1.00 0.00 N ATOM 723 CA ASP A 50 -13.252 2.374 -0.376 1.00 0.00 C ATOM 724 C ASP A 50 -12.753 1.547 0.805 1.00 0.00 C ATOM 725 O ASP A 50 -13.183 1.746 1.941 1.00 0.00 O ATOM 726 CB ASP A 50 -14.585 3.037 -0.024 1.00 0.00 C ATOM 727 CG ASP A 50 -15.722 2.038 0.064 1.00 0.00 C ATOM 728 OD1 ASP A 50 -16.337 1.745 -0.983 1.00 0.00 O ATOM 729 OD2 ASP A 50 -15.999 1.551 1.180 1.00 0.00 O ATOM 0 H ASP A 50 -13.877 0.658 -1.408 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.515 3.148 -0.590 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.488 3.558 0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.823 3.789 -0.776 1.00 0.00 H new ATOM 734 N GLY A 51 -11.843 0.619 0.527 1.00 0.00 N ATOM 735 CA GLY A 51 -11.300 -0.224 1.576 1.00 0.00 C ATOM 736 C GLY A 51 -11.800 -1.653 1.488 1.00 0.00 C ATOM 737 O GLY A 51 -11.049 -2.596 1.735 1.00 0.00 O ATOM 0 H GLY A 51 -11.472 0.436 -0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.212 -0.219 1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.567 0.192 2.547 1.00 0.00 H new ATOM 741 N SER A 52 -13.072 -1.813 1.136 1.00 0.00 N ATOM 742 CA SER A 52 -13.671 -3.137 1.017 1.00 0.00 C ATOM 743 C SER A 52 -14.090 -3.416 -0.423 1.00 0.00 C ATOM 744 O SER A 52 -14.266 -2.494 -1.220 1.00 0.00 O ATOM 745 CB SER A 52 -14.881 -3.257 1.944 1.00 0.00 C ATOM 746 OG SER A 52 -14.694 -2.500 3.129 1.00 0.00 O ATOM 0 H SER A 52 -13.707 -1.042 0.928 1.00 0.00 H new ATOM 0 HA SER A 52 -12.924 -3.875 1.309 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.776 -2.912 1.426 1.00 0.00 H new ATOM 0 HB3 SER A 52 -15.045 -4.304 2.200 1.00 0.00 H new ATOM 0 HG SER A 52 -15.482 -2.592 3.704 1.00 0.00 H new ATOM 752 N VAL A 53 -14.249 -4.694 -0.750 1.00 0.00 N ATOM 753 CA VAL A 53 -14.647 -5.094 -2.094 1.00 0.00 C ATOM 754 C VAL A 53 -15.490 -6.364 -2.063 1.00 0.00 C ATOM 755 O VAL A 53 -15.105 -7.362 -1.453 1.00 0.00 O ATOM 756 CB VAL A 53 -13.423 -5.327 -2.998 1.00 0.00 C ATOM 757 CG1 VAL A 53 -13.855 -5.547 -4.440 1.00 0.00 C ATOM 758 CG2 VAL A 53 -12.453 -4.159 -2.895 1.00 0.00 C ATOM 0 H VAL A 53 -14.108 -5.470 -0.103 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.240 -4.276 -2.503 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.910 -6.226 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -12.975 -5.710 -5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.506 -6.420 -4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -14.394 -4.669 -4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.594 -4.341 -3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -12.953 -3.242 -3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -12.116 -4.056 -1.864 1.00 0.00 H new ATOM 768 N ALA A 54 -16.643 -6.320 -2.723 1.00 0.00 N ATOM 769 CA ALA A 54 -17.542 -7.467 -2.772 1.00 0.00 C ATOM 770 C ALA A 54 -17.985 -7.881 -1.371 1.00 0.00 C ATOM 771 O ALA A 54 -18.298 -9.046 -1.129 1.00 0.00 O ATOM 772 CB ALA A 54 -16.869 -8.633 -3.480 1.00 0.00 C ATOM 0 H ALA A 54 -16.977 -5.501 -3.232 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.430 -7.177 -3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.551 -9.483 -3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.609 -8.340 -4.497 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.964 -8.913 -2.941 1.00 0.00 H new ATOM 778 N GLY A 55 -18.009 -6.919 -0.453 1.00 0.00 N ATOM 779 CA GLY A 55 -18.417 -7.206 0.909 1.00 0.00 C ATOM 780 C GLY A 55 -17.240 -7.488 1.824 1.00 0.00 C ATOM 781 O GLY A 55 -17.319 -7.269 3.033 1.00 0.00 O ATOM 0 H GLY A 55 -17.753 -5.947 -0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.982 -6.360 1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.087 -8.066 0.910 1.00 0.00 H new ATOM 785 N VAL A 56 -16.145 -7.974 1.246 1.00 0.00 N ATOM 786 CA VAL A 56 -14.949 -8.285 2.020 1.00 0.00 C ATOM 787 C VAL A 56 -14.244 -7.013 2.475 1.00 0.00 C ATOM 788 O VAL A 56 -13.733 -6.247 1.658 1.00 0.00 O ATOM 789 CB VAL A 56 -13.962 -9.144 1.207 1.00 0.00 C ATOM 790 CG1 VAL A 56 -12.797 -9.591 2.078 1.00 0.00 C ATOM 791 CG2 VAL A 56 -14.671 -10.343 0.598 1.00 0.00 C ATOM 0 H VAL A 56 -16.062 -8.160 0.247 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.275 -8.849 2.894 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.565 -8.535 0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.111 -10.196 1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.271 -8.716 2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.173 -10.181 2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.957 -10.937 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -15.099 -10.954 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.466 -9.998 -0.063 1.00 0.00 H new ATOM 801 N ARG A 57 -14.219 -6.792 3.786 1.00 0.00 N ATOM 802 CA ARG A 57 -13.577 -5.613 4.351 1.00 0.00 C ATOM 803 C ARG A 57 -12.109 -5.890 4.663 1.00 0.00 C ATOM 804 O ARG A 57 -11.789 -6.772 5.460 1.00 0.00 O ATOM 805 CB ARG A 57 -14.305 -5.169 5.622 1.00 0.00 C ATOM 806 CG ARG A 57 -13.798 -3.851 6.184 1.00 0.00 C ATOM 807 CD ARG A 57 -14.893 -3.105 6.928 1.00 0.00 C ATOM 808 NE ARG A 57 -15.410 -3.875 8.057 1.00 0.00 N ATOM 809 CZ ARG A 57 -14.794 -3.973 9.233 1.00 0.00 C ATOM 810 NH1 ARG A 57 -13.639 -3.351 9.439 1.00 0.00 N ATOM 811 NH2 ARG A 57 -15.334 -4.693 10.206 1.00 0.00 N ATOM 0 H ARG A 57 -14.637 -7.416 4.477 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.629 -4.813 3.613 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.370 -5.078 5.408 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.198 -5.944 6.381 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.962 -4.039 6.858 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.420 -3.230 5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.503 -2.152 7.287 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.708 -2.877 6.241 1.00 0.00 H new ATOM 0 HE ARG A 57 -16.296 -4.367 7.937 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -13.219 -2.795 8.694 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.171 -3.430 10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -16.222 -5.172 10.054 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.862 -4.768 11.107 1.00 0.00 H new ATOM 825 N TYR A 58 -11.222 -5.130 4.030 1.00 0.00 N ATOM 826 CA TYR A 58 -9.788 -5.294 4.240 1.00 0.00 C ATOM 827 C TYR A 58 -9.256 -4.245 5.211 1.00 0.00 C ATOM 828 O TYR A 58 -8.391 -4.531 6.038 1.00 0.00 O ATOM 829 CB TYR A 58 -9.042 -5.197 2.908 1.00 0.00 C ATOM 830 CG TYR A 58 -9.589 -6.118 1.840 1.00 0.00 C ATOM 831 CD1 TYR A 58 -10.686 -5.746 1.072 1.00 0.00 C ATOM 832 CD2 TYR A 58 -9.009 -7.357 1.600 1.00 0.00 C ATOM 833 CE1 TYR A 58 -11.189 -6.584 0.095 1.00 0.00 C ATOM 834 CE2 TYR A 58 -9.506 -8.200 0.624 1.00 0.00 C ATOM 835 CZ TYR A 58 -10.596 -7.809 -0.125 1.00 0.00 C ATOM 836 OH TYR A 58 -11.094 -8.647 -1.097 1.00 0.00 O ATOM 0 H TYR A 58 -11.470 -4.395 3.368 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.620 -6.281 4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.089 -4.169 2.549 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.990 -5.429 3.072 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.153 -4.787 1.241 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.156 -7.667 2.185 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -12.042 -6.281 -0.493 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.043 -9.160 0.449 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.586 -8.524 -1.926 1.00 0.00 H new ATOM 846 N PHE A 59 -9.780 -3.027 5.103 1.00 0.00 N ATOM 847 CA PHE A 59 -9.358 -1.934 5.972 1.00 0.00 C ATOM 848 C PHE A 59 -10.355 -0.782 5.920 1.00 0.00 C ATOM 849 O PHE A 59 -11.275 -0.780 5.102 1.00 0.00 O ATOM 850 CB PHE A 59 -7.968 -1.440 5.565 1.00 0.00 C ATOM 851 CG PHE A 59 -7.850 -1.118 4.103 1.00 0.00 C ATOM 852 CD1 PHE A 59 -7.602 -2.119 3.177 1.00 0.00 C ATOM 853 CD2 PHE A 59 -7.989 0.186 3.654 1.00 0.00 C ATOM 854 CE1 PHE A 59 -7.494 -1.825 1.831 1.00 0.00 C ATOM 855 CE2 PHE A 59 -7.881 0.486 2.308 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.633 -0.521 1.397 1.00 0.00 C ATOM 0 H PHE A 59 -10.497 -2.773 4.423 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.318 -2.310 6.994 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.723 -0.551 6.146 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.231 -2.201 5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.492 -3.140 3.511 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.184 0.977 4.363 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.301 -2.614 1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.990 1.506 1.971 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.548 -0.289 0.346 1.00 0.00 H new ATOM 866 N GLN A 60 -10.168 0.197 6.799 1.00 0.00 N ATOM 867 CA GLN A 60 -11.052 1.354 6.854 1.00 0.00 C ATOM 868 C GLN A 60 -10.417 2.557 6.163 1.00 0.00 C ATOM 869 O GLN A 60 -9.221 2.810 6.308 1.00 0.00 O ATOM 870 CB GLN A 60 -11.381 1.704 8.306 1.00 0.00 C ATOM 871 CG GLN A 60 -12.682 2.474 8.467 1.00 0.00 C ATOM 872 CD GLN A 60 -13.861 1.571 8.771 1.00 0.00 C ATOM 873 OE1 GLN A 60 -13.705 0.508 9.371 1.00 0.00 O ATOM 874 NE2 GLN A 60 -15.050 1.990 8.356 1.00 0.00 N ATOM 0 H GLN A 60 -9.412 0.212 7.483 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.974 1.099 6.331 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.438 0.784 8.889 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.565 2.295 8.722 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.571 3.203 9.270 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.884 3.034 7.554 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.134 2.878 7.862 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.880 1.424 8.531 1.00 0.00 H new ATOM 883 N CYS A 61 -11.227 3.295 5.410 1.00 0.00 N ATOM 884 CA CYS A 61 -10.745 4.471 4.695 1.00 0.00 C ATOM 885 C CYS A 61 -11.903 5.233 4.058 1.00 0.00 C ATOM 886 O CYS A 61 -12.986 4.683 3.860 1.00 0.00 O ATOM 887 CB CYS A 61 -9.736 4.063 3.620 1.00 0.00 C ATOM 888 SG CYS A 61 -10.353 2.819 2.462 1.00 0.00 S ATOM 0 H CYS A 61 -12.219 3.099 5.279 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.254 5.126 5.414 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.440 4.950 3.060 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.839 3.678 4.106 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.640 1.737 2.567 1.00 0.00 H new ATOM 894 N GLU A 62 -11.667 6.501 3.741 1.00 0.00 N ATOM 895 CA GLU A 62 -12.690 7.338 3.127 1.00 0.00 C ATOM 896 C GLU A 62 -13.085 6.799 1.753 1.00 0.00 C ATOM 897 O GLU A 62 -12.366 5.993 1.164 1.00 0.00 O ATOM 898 CB GLU A 62 -12.192 8.779 2.999 1.00 0.00 C ATOM 899 CG GLU A 62 -12.360 9.595 4.270 1.00 0.00 C ATOM 900 CD GLU A 62 -11.256 10.617 4.456 1.00 0.00 C ATOM 901 OE1 GLU A 62 -11.133 11.522 3.606 1.00 0.00 O ATOM 902 OE2 GLU A 62 -10.512 10.511 5.456 1.00 0.00 O ATOM 0 H GLU A 62 -10.776 6.972 3.899 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.570 7.321 3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.138 8.767 2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.730 9.270 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.323 10.106 4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.377 8.924 5.129 1.00 0.00 H new ATOM 909 N PRO A 63 -14.241 7.237 1.226 1.00 0.00 N ATOM 910 CA PRO A 63 -14.732 6.794 -0.084 1.00 0.00 C ATOM 911 C PRO A 63 -13.750 7.098 -1.208 1.00 0.00 C ATOM 912 O PRO A 63 -13.127 8.160 -1.233 1.00 0.00 O ATOM 913 CB PRO A 63 -16.021 7.598 -0.279 1.00 0.00 C ATOM 914 CG PRO A 63 -16.437 8.000 1.093 1.00 0.00 C ATOM 915 CD PRO A 63 -15.162 8.193 1.864 1.00 0.00 C ATOM 0 HA PRO A 63 -14.877 5.714 -0.113 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.850 8.470 -0.911 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.791 6.998 -0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.024 8.918 1.071 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.061 7.234 1.553 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.796 9.217 1.789 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.295 7.979 2.924 1.00 0.00 H new ATOM 923 N LEU A 64 -13.625 6.162 -2.145 1.00 0.00 N ATOM 924 CA LEU A 64 -12.728 6.331 -3.281 1.00 0.00 C ATOM 925 C LEU A 64 -11.310 6.671 -2.827 1.00 0.00 C ATOM 926 O LEU A 64 -10.610 7.447 -3.479 1.00 0.00 O ATOM 927 CB LEU A 64 -13.257 7.427 -4.206 1.00 0.00 C ATOM 928 CG LEU A 64 -14.636 7.153 -4.813 1.00 0.00 C ATOM 929 CD1 LEU A 64 -15.579 8.316 -4.551 1.00 0.00 C ATOM 930 CD2 LEU A 64 -14.520 6.886 -6.307 1.00 0.00 C ATOM 0 H LEU A 64 -14.135 5.278 -2.139 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.690 5.386 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.302 8.362 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.543 7.573 -5.016 1.00 0.00 H new ATOM 0 HG LEU A 64 -15.048 6.264 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -16.553 8.101 -4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.690 8.460 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -15.171 9.223 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.510 6.693 -6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.084 7.755 -6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.883 6.018 -6.473 1.00 0.00 H new ATOM 942 N LYS A 65 -10.893 6.087 -1.709 1.00 0.00 N ATOM 943 CA LYS A 65 -9.558 6.330 -1.174 1.00 0.00 C ATOM 944 C LYS A 65 -8.881 5.019 -0.788 1.00 0.00 C ATOM 945 O LYS A 65 -8.153 4.951 0.202 1.00 0.00 O ATOM 946 CB LYS A 65 -9.631 7.262 0.038 1.00 0.00 C ATOM 947 CG LYS A 65 -9.476 8.732 -0.315 1.00 0.00 C ATOM 948 CD LYS A 65 -8.754 9.495 0.783 1.00 0.00 C ATOM 949 CE LYS A 65 -9.002 10.991 0.677 1.00 0.00 C ATOM 950 NZ LYS A 65 -8.102 11.768 1.573 1.00 0.00 N ATOM 0 H LYS A 65 -11.459 5.443 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.963 6.809 -1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.587 7.116 0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.852 6.983 0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.923 8.827 -1.249 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.459 9.173 -0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.089 9.138 1.757 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.684 9.297 0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.853 11.312 -0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.040 11.206 0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.649 12.508 2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.680 11.131 2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.347 12.209 1.009 1.00 0.00 H new ATOM 964 N GLY A 66 -9.124 3.980 -1.580 1.00 0.00 N ATOM 965 CA GLY A 66 -8.531 2.684 -1.308 1.00 0.00 C ATOM 966 C GLY A 66 -8.450 1.812 -2.546 1.00 0.00 C ATOM 967 O GLY A 66 -9.455 1.588 -3.222 1.00 0.00 O ATOM 0 H GLY A 66 -9.722 4.013 -2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.530 2.824 -0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.117 2.172 -0.545 1.00 0.00 H new ATOM 971 N ILE A 67 -7.253 1.321 -2.845 1.00 0.00 N ATOM 972 CA ILE A 67 -7.045 0.471 -4.010 1.00 0.00 C ATOM 973 C ILE A 67 -5.987 -0.594 -3.731 1.00 0.00 C ATOM 974 O ILE A 67 -5.159 -0.440 -2.835 1.00 0.00 O ATOM 975 CB ILE A 67 -6.621 1.299 -5.240 1.00 0.00 C ATOM 976 CG1 ILE A 67 -6.509 0.402 -6.476 1.00 0.00 C ATOM 977 CG2 ILE A 67 -5.303 2.012 -4.975 1.00 0.00 C ATOM 978 CD1 ILE A 67 -6.432 1.173 -7.777 1.00 0.00 C ATOM 0 H ILE A 67 -6.412 1.497 -2.296 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.996 -0.016 -4.223 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.386 2.052 -5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.622 -0.225 -6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.369 -0.266 -6.509 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.020 2.591 -5.854 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.416 2.680 -4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.528 1.276 -4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.354 0.474 -8.610 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.330 1.779 -7.894 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.556 1.821 -7.764 1.00 0.00 H new ATOM 990 N PHE A 68 -6.023 -1.672 -4.507 1.00 0.00 N ATOM 991 CA PHE A 68 -5.068 -2.764 -4.345 1.00 0.00 C ATOM 992 C PHE A 68 -4.136 -2.854 -5.549 1.00 0.00 C ATOM 993 O PHE A 68 -4.587 -3.003 -6.685 1.00 0.00 O ATOM 994 CB PHE A 68 -5.805 -4.090 -4.156 1.00 0.00 C ATOM 995 CG PHE A 68 -6.620 -4.151 -2.896 1.00 0.00 C ATOM 996 CD1 PHE A 68 -6.011 -4.373 -1.671 1.00 0.00 C ATOM 997 CD2 PHE A 68 -7.995 -3.987 -2.936 1.00 0.00 C ATOM 998 CE1 PHE A 68 -6.759 -4.429 -0.510 1.00 0.00 C ATOM 999 CE2 PHE A 68 -8.749 -4.043 -1.779 1.00 0.00 C ATOM 1000 CZ PHE A 68 -8.129 -4.264 -0.564 1.00 0.00 C ATOM 0 H PHE A 68 -6.703 -1.814 -5.254 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.468 -2.560 -3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.460 -4.257 -5.011 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.078 -4.902 -4.148 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.940 -4.504 -1.623 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.484 -3.813 -3.883 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.272 -4.602 0.439 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -9.820 -3.914 -1.824 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.715 -4.308 0.342 1.00 0.00 H new ATOM 1010 N THR A 69 -2.836 -2.763 -5.293 1.00 0.00 N ATOM 1011 CA THR A 69 -1.841 -2.835 -6.356 1.00 0.00 C ATOM 1012 C THR A 69 -0.714 -3.793 -5.984 1.00 0.00 C ATOM 1013 O THR A 69 -0.659 -4.294 -4.861 1.00 0.00 O ATOM 1014 CB THR A 69 -1.270 -1.446 -6.645 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.271 -1.512 -7.646 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.659 -0.786 -5.428 1.00 0.00 C ATOM 0 H THR A 69 -2.447 -2.639 -4.358 1.00 0.00 H new ATOM 0 HA THR A 69 -2.333 -3.212 -7.253 1.00 0.00 H new ATOM 0 HB THR A 69 -2.119 -0.848 -6.975 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.258 -0.672 -8.151 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.273 0.196 -5.702 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.419 -0.674 -4.655 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.156 -1.404 -5.050 1.00 0.00 H new ATOM 1024 N ARG A 70 0.180 -4.045 -6.933 1.00 0.00 N ATOM 1025 CA ARG A 70 1.306 -4.944 -6.704 1.00 0.00 C ATOM 1026 C ARG A 70 2.433 -4.226 -5.961 1.00 0.00 C ATOM 1027 O ARG A 70 2.911 -3.183 -6.409 1.00 0.00 O ATOM 1028 CB ARG A 70 1.825 -5.494 -8.033 1.00 0.00 C ATOM 1029 CG ARG A 70 0.727 -6.002 -8.953 1.00 0.00 C ATOM 1030 CD ARG A 70 0.709 -7.521 -9.018 1.00 0.00 C ATOM 1031 NE ARG A 70 -0.244 -8.017 -10.008 1.00 0.00 N ATOM 1032 CZ ARG A 70 -0.694 -9.269 -10.043 1.00 0.00 C ATOM 1033 NH1 ARG A 70 -0.278 -10.156 -9.147 1.00 0.00 N ATOM 1034 NH2 ARG A 70 -1.561 -9.637 -10.976 1.00 0.00 N ATOM 0 H ARG A 70 0.147 -3.640 -7.868 1.00 0.00 H new ATOM 0 HA ARG A 70 0.958 -5.773 -6.087 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.384 -4.712 -8.546 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.524 -6.306 -7.832 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.239 -5.641 -8.601 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.874 -5.596 -9.954 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.707 -7.885 -9.262 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.454 -7.922 -8.037 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.585 -7.365 -10.714 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.390 -9.879 -8.427 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.626 -11.114 -9.178 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.884 -8.960 -11.668 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.905 -10.597 -11.002 1.00 0.00 H new ATOM 1048 N PRO A 71 2.877 -4.772 -4.814 1.00 0.00 N ATOM 1049 CA PRO A 71 3.953 -4.169 -4.020 1.00 0.00 C ATOM 1050 C PRO A 71 5.221 -3.953 -4.837 1.00 0.00 C ATOM 1051 O PRO A 71 5.935 -2.968 -4.647 1.00 0.00 O ATOM 1052 CB PRO A 71 4.205 -5.195 -2.911 1.00 0.00 C ATOM 1053 CG PRO A 71 2.940 -5.973 -2.811 1.00 0.00 C ATOM 1054 CD PRO A 71 2.369 -6.014 -4.201 1.00 0.00 C ATOM 0 HA PRO A 71 3.677 -3.182 -3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.048 -5.842 -3.156 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.443 -4.705 -1.967 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.129 -6.979 -2.437 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.245 -5.500 -2.117 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.702 -6.897 -4.747 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.279 -6.039 -4.188 1.00 0.00 H new ATOM 1062 N SER A 72 5.497 -4.883 -5.747 1.00 0.00 N ATOM 1063 CA SER A 72 6.682 -4.797 -6.594 1.00 0.00 C ATOM 1064 C SER A 72 6.706 -3.484 -7.374 1.00 0.00 C ATOM 1065 O SER A 72 7.772 -2.987 -7.737 1.00 0.00 O ATOM 1066 CB SER A 72 6.728 -5.980 -7.563 1.00 0.00 C ATOM 1067 OG SER A 72 7.768 -5.822 -8.513 1.00 0.00 O ATOM 0 H SER A 72 4.916 -5.704 -5.916 1.00 0.00 H new ATOM 0 HA SER A 72 7.560 -4.828 -5.949 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.878 -6.905 -7.006 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.771 -6.070 -8.078 1.00 0.00 H new ATOM 0 HG SER A 72 7.829 -6.627 -9.069 1.00 0.00 H new ATOM 1073 N LYS A 73 5.525 -2.930 -7.631 1.00 0.00 N ATOM 1074 CA LYS A 73 5.415 -1.676 -8.368 1.00 0.00 C ATOM 1075 C LYS A 73 5.264 -0.494 -7.415 1.00 0.00 C ATOM 1076 O LYS A 73 4.569 0.475 -7.718 1.00 0.00 O ATOM 1077 CB LYS A 73 4.222 -1.726 -9.326 1.00 0.00 C ATOM 1078 CG LYS A 73 4.150 -3.008 -10.140 1.00 0.00 C ATOM 1079 CD LYS A 73 5.065 -2.950 -11.351 1.00 0.00 C ATOM 1080 CE LYS A 73 6.421 -3.572 -11.054 1.00 0.00 C ATOM 1081 NZ LYS A 73 6.333 -5.052 -10.911 1.00 0.00 N ATOM 0 H LYS A 73 4.632 -3.329 -7.340 1.00 0.00 H new ATOM 0 HA LYS A 73 6.331 -1.542 -8.943 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.301 -1.617 -8.753 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.277 -0.876 -10.006 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.428 -3.855 -9.513 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.124 -3.176 -10.466 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.599 -3.473 -12.186 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.199 -1.913 -11.658 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.117 -3.325 -11.856 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.825 -3.142 -10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.822 -5.346 -10.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.334 -5.337 -10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.781 -5.507 -11.732 1.00 0.00 H new ATOM 1095 N LEU A 74 5.920 -0.581 -6.262 1.00 0.00 N ATOM 1096 CA LEU A 74 5.858 0.481 -5.265 1.00 0.00 C ATOM 1097 C LEU A 74 7.172 1.254 -5.210 1.00 0.00 C ATOM 1098 O LEU A 74 8.251 0.662 -5.212 1.00 0.00 O ATOM 1099 CB LEU A 74 5.535 -0.100 -3.888 1.00 0.00 C ATOM 1100 CG LEU A 74 4.100 -0.600 -3.714 1.00 0.00 C ATOM 1101 CD1 LEU A 74 3.878 -1.102 -2.297 1.00 0.00 C ATOM 1102 CD2 LEU A 74 3.109 0.503 -4.053 1.00 0.00 C ATOM 0 H LEU A 74 6.501 -1.376 -5.995 1.00 0.00 H new ATOM 0 HA LEU A 74 5.065 1.170 -5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.218 -0.927 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.731 0.662 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 74 3.938 -1.431 -4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.852 -1.454 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.565 -1.922 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.057 -0.291 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.093 0.131 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.271 1.354 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.252 0.816 -5.087 1.00 0.00 H new ATOM 1114 N THR A 75 7.072 2.578 -5.158 1.00 0.00 N ATOM 1115 CA THR A 75 8.254 3.432 -5.101 1.00 0.00 C ATOM 1116 C THR A 75 8.277 4.241 -3.808 1.00 0.00 C ATOM 1117 O THR A 75 7.233 4.502 -3.209 1.00 0.00 O ATOM 1118 CB THR A 75 8.287 4.374 -6.306 1.00 0.00 C ATOM 1119 OG1 THR A 75 7.791 3.725 -7.463 1.00 0.00 O ATOM 1120 CG2 THR A 75 9.675 4.887 -6.625 1.00 0.00 C ATOM 0 H THR A 75 6.186 3.083 -5.154 1.00 0.00 H new ATOM 0 HA THR A 75 9.136 2.792 -5.125 1.00 0.00 H new ATOM 0 HB THR A 75 7.659 5.221 -6.029 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.813 3.685 -7.422 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.628 5.549 -7.489 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.066 5.436 -5.768 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.332 4.046 -6.847 1.00 0.00 H new ATOM 1128 N ARG A 76 9.473 4.634 -3.383 1.00 0.00 N ATOM 1129 CA ARG A 76 9.631 5.415 -2.161 1.00 0.00 C ATOM 1130 C ARG A 76 10.141 6.817 -2.472 1.00 0.00 C ATOM 1131 O ARG A 76 11.343 7.030 -2.637 1.00 0.00 O ATOM 1132 CB ARG A 76 10.592 4.709 -1.202 1.00 0.00 C ATOM 1133 CG ARG A 76 10.091 3.356 -0.725 1.00 0.00 C ATOM 1134 CD ARG A 76 10.826 2.899 0.525 1.00 0.00 C ATOM 1135 NE ARG A 76 9.965 2.125 1.415 1.00 0.00 N ATOM 1136 CZ ARG A 76 10.420 1.329 2.381 1.00 0.00 C ATOM 1137 NH1 ARG A 76 11.725 1.201 2.582 1.00 0.00 N ATOM 1138 NH2 ARG A 76 9.568 0.661 3.146 1.00 0.00 N ATOM 0 H ARG A 76 10.347 4.425 -3.866 1.00 0.00 H new ATOM 0 HA ARG A 76 8.654 5.503 -1.686 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.554 4.577 -1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.764 5.349 -0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.022 3.415 -0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.223 2.618 -1.516 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.687 2.295 0.239 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.210 3.769 1.058 1.00 0.00 H new ATOM 0 HE ARG A 76 8.955 2.198 1.289 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.384 1.713 1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.069 0.590 3.323 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.564 0.757 2.995 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.917 0.051 3.886 1.00 0.00 H new ATOM 1152 N LYS A 77 9.221 7.773 -2.550 1.00 0.00 N ATOM 1153 CA LYS A 77 9.577 9.157 -2.842 1.00 0.00 C ATOM 1154 C LYS A 77 10.267 9.266 -4.197 1.00 0.00 C ATOM 1155 O LYS A 77 11.443 8.929 -4.336 1.00 0.00 O ATOM 1156 CB LYS A 77 10.489 9.713 -1.746 1.00 0.00 C ATOM 1157 CG LYS A 77 10.728 11.210 -1.856 1.00 0.00 C ATOM 1158 CD LYS A 77 10.851 11.856 -0.486 1.00 0.00 C ATOM 1159 CE LYS A 77 11.823 13.026 -0.507 1.00 0.00 C ATOM 1160 NZ LYS A 77 12.205 13.456 0.866 1.00 0.00 N ATOM 0 H LYS A 77 8.222 7.614 -2.415 1.00 0.00 H new ATOM 0 HA LYS A 77 8.659 9.744 -2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.049 9.494 -0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.448 9.196 -1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.637 11.393 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.907 11.671 -2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.871 12.201 -0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.188 11.114 0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.718 12.744 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.371 13.864 -1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.868 14.255 0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.354 13.749 1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.660 12.664 1.364 1.00 0.00 H new