USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=9 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 Single : A 17 ASN : amide:sc= -0.0199 K(o=-0.02,f=-1.1) USER MOD Single : A 19 ASN : amide:sc= 0.758 K(o=0.76,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -129:sc= -0.442 (180deg=-3.59!) USER MOD Single : A 25 GLN : amide:sc= -0.385 X(o=-0.38,f=-0.52) USER MOD Single : A 30 THR OG1 : rot 156:sc= 1.72 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.88) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -5.39! C(o=-5.4!,f=-6.7!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -134:sc= -0.27 USER MOD Single : A 60 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.14) USER MOD Single : A 61 CYS SG : rot -140:sc= -1.27 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.44 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 170:sc= -1.47 USER MOD Single : A 77 LYS NZ :NH3+ 148:sc= 0.168 (180deg=0.00676) USER MOD ----------------------------------------------------------------- ATOM 68 N PHE A 8 8.608 -3.300 1.438 1.00 0.00 N ATOM 69 CA PHE A 8 7.850 -2.245 2.102 1.00 0.00 C ATOM 70 C PHE A 8 7.180 -2.770 3.367 1.00 0.00 C ATOM 71 O PHE A 8 7.090 -3.980 3.577 1.00 0.00 O ATOM 72 CB PHE A 8 6.795 -1.673 1.152 1.00 0.00 C ATOM 73 CG PHE A 8 7.319 -1.389 -0.227 1.00 0.00 C ATOM 74 CD1 PHE A 8 7.355 -2.387 -1.188 1.00 0.00 C ATOM 75 CD2 PHE A 8 7.775 -0.124 -0.561 1.00 0.00 C ATOM 76 CE1 PHE A 8 7.835 -2.128 -2.457 1.00 0.00 C ATOM 77 CE2 PHE A 8 8.257 0.140 -1.829 1.00 0.00 C ATOM 78 CZ PHE A 8 8.287 -0.862 -2.778 1.00 0.00 C ATOM 0 HA PHE A 8 8.545 -1.454 2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.965 -2.376 1.079 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.396 -0.752 1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.004 -3.378 -0.942 1.00 0.00 H new ATOM 0 HD2 PHE A 8 7.754 0.664 0.177 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.857 -2.914 -3.198 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.610 1.130 -2.077 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.663 -0.657 -3.769 1.00 0.00 H new ATOM 88 N ARG A 9 6.713 -1.852 4.208 1.00 0.00 N ATOM 89 CA ARG A 9 6.052 -2.224 5.453 1.00 0.00 C ATOM 90 C ARG A 9 4.734 -1.473 5.615 1.00 0.00 C ATOM 91 O ARG A 9 4.540 -0.406 5.031 1.00 0.00 O ATOM 92 CB ARG A 9 6.965 -1.934 6.646 1.00 0.00 C ATOM 93 CG ARG A 9 8.332 -2.590 6.539 1.00 0.00 C ATOM 94 CD ARG A 9 8.347 -3.960 7.201 1.00 0.00 C ATOM 95 NE ARG A 9 9.698 -4.500 7.311 1.00 0.00 N ATOM 96 CZ ARG A 9 10.616 -4.038 8.158 1.00 0.00 C ATOM 97 NH1 ARG A 9 10.329 -3.027 8.970 1.00 0.00 N ATOM 98 NH2 ARG A 9 11.821 -4.588 8.195 1.00 0.00 N ATOM 0 H ARG A 9 6.780 -0.847 4.050 1.00 0.00 H new ATOM 0 HA ARG A 9 5.840 -3.292 5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.095 -0.856 6.740 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.477 -2.277 7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.608 -2.689 5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.081 -1.951 7.006 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.904 -3.887 8.194 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.728 -4.648 6.625 1.00 0.00 H new ATOM 0 HE ARG A 9 9.955 -5.278 6.703 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.402 -2.601 8.947 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.035 -2.676 9.617 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.046 -5.366 7.574 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.524 -4.234 8.844 1.00 0.00 H new ATOM 112 N VAL A 10 3.832 -2.037 6.410 1.00 0.00 N ATOM 113 CA VAL A 10 2.532 -1.421 6.649 1.00 0.00 C ATOM 114 C VAL A 10 2.678 -0.102 7.399 1.00 0.00 C ATOM 115 O VAL A 10 3.497 0.018 8.310 1.00 0.00 O ATOM 116 CB VAL A 10 1.606 -2.354 7.452 1.00 0.00 C ATOM 117 CG1 VAL A 10 0.198 -1.784 7.518 1.00 0.00 C ATOM 118 CG2 VAL A 10 1.596 -3.748 6.843 1.00 0.00 C ATOM 0 H VAL A 10 3.977 -2.920 6.900 1.00 0.00 H new ATOM 0 HA VAL A 10 2.088 -1.234 5.671 1.00 0.00 H new ATOM 0 HB VAL A 10 1.990 -2.428 8.469 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.441 -2.458 8.089 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.223 -0.808 8.004 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.199 -1.677 6.508 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.937 -4.394 7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.238 -3.693 5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.606 -4.157 6.854 1.00 0.00 H new ATOM 128 N GLY A 11 1.879 0.887 7.009 1.00 0.00 N ATOM 129 CA GLY A 11 1.936 2.184 7.655 1.00 0.00 C ATOM 130 C GLY A 11 2.801 3.172 6.898 1.00 0.00 C ATOM 131 O GLY A 11 2.575 4.381 6.960 1.00 0.00 O ATOM 0 H GLY A 11 1.194 0.812 6.257 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.927 2.585 7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.325 2.066 8.666 1.00 0.00 H new ATOM 135 N GLU A 12 3.795 2.657 6.180 1.00 0.00 N ATOM 136 CA GLU A 12 4.697 3.502 5.407 1.00 0.00 C ATOM 137 C GLU A 12 3.954 4.192 4.268 1.00 0.00 C ATOM 138 O GLU A 12 2.770 3.943 4.044 1.00 0.00 O ATOM 139 CB GLU A 12 5.854 2.671 4.849 1.00 0.00 C ATOM 140 CG GLU A 12 6.711 2.022 5.923 1.00 0.00 C ATOM 141 CD GLU A 12 7.266 3.029 6.913 1.00 0.00 C ATOM 142 OE1 GLU A 12 8.145 3.824 6.520 1.00 0.00 O ATOM 143 OE2 GLU A 12 6.821 3.021 8.079 1.00 0.00 O ATOM 0 H GLU A 12 3.995 1.659 6.118 1.00 0.00 H new ATOM 0 HA GLU A 12 5.097 4.268 6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.452 1.894 4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.484 3.310 4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.117 1.281 6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.536 1.489 5.451 1.00 0.00 H new ATOM 150 N ARG A 13 4.659 5.061 3.550 1.00 0.00 N ATOM 151 CA ARG A 13 4.067 5.788 2.433 1.00 0.00 C ATOM 152 C ARG A 13 4.719 5.383 1.114 1.00 0.00 C ATOM 153 O ARG A 13 5.868 5.734 0.844 1.00 0.00 O ATOM 154 CB ARG A 13 4.212 7.296 2.644 1.00 0.00 C ATOM 155 CG ARG A 13 3.429 8.129 1.642 1.00 0.00 C ATOM 156 CD ARG A 13 1.969 8.260 2.048 1.00 0.00 C ATOM 157 NE ARG A 13 1.267 9.261 1.247 1.00 0.00 N ATOM 158 CZ ARG A 13 1.368 10.573 1.445 1.00 0.00 C ATOM 159 NH1 ARG A 13 2.140 11.048 2.414 1.00 0.00 N ATOM 160 NH2 ARG A 13 0.695 11.413 0.670 1.00 0.00 N ATOM 0 H ARG A 13 5.641 5.279 3.722 1.00 0.00 H new ATOM 0 HA ARG A 13 3.008 5.535 2.388 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.879 7.547 3.651 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.267 7.563 2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.876 9.120 1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.494 7.670 0.656 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.474 7.295 1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.908 8.531 3.102 1.00 0.00 H new ATOM 0 HE ARG A 13 0.664 8.935 0.492 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.660 10.406 3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.213 12.055 2.561 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.101 11.053 -0.077 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.772 12.419 0.821 1.00 0.00 H new ATOM 174 N VAL A 14 3.978 4.642 0.297 1.00 0.00 N ATOM 175 CA VAL A 14 4.484 4.190 -0.994 1.00 0.00 C ATOM 176 C VAL A 14 3.895 5.012 -2.134 1.00 0.00 C ATOM 177 O VAL A 14 3.069 5.898 -1.914 1.00 0.00 O ATOM 178 CB VAL A 14 4.164 2.701 -1.232 1.00 0.00 C ATOM 179 CG1 VAL A 14 5.074 1.817 -0.394 1.00 0.00 C ATOM 180 CG2 VAL A 14 2.701 2.414 -0.926 1.00 0.00 C ATOM 0 H VAL A 14 3.026 4.342 0.506 1.00 0.00 H new ATOM 0 HA VAL A 14 5.566 4.324 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 14 4.344 2.474 -2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.832 0.770 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.113 2.002 -0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.930 2.044 0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.493 1.358 -1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.492 2.658 0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.068 3.020 -1.575 1.00 0.00 H new ATOM 190 N TRP A 15 4.327 4.713 -3.356 1.00 0.00 N ATOM 191 CA TRP A 15 3.842 5.425 -4.534 1.00 0.00 C ATOM 192 C TRP A 15 3.209 4.459 -5.530 1.00 0.00 C ATOM 193 O TRP A 15 3.909 3.786 -6.287 1.00 0.00 O ATOM 194 CB TRP A 15 4.990 6.190 -5.200 1.00 0.00 C ATOM 195 CG TRP A 15 4.801 7.675 -5.185 1.00 0.00 C ATOM 196 CD1 TRP A 15 4.408 8.462 -6.229 1.00 0.00 C ATOM 197 CD2 TRP A 15 4.998 8.555 -4.071 1.00 0.00 C ATOM 198 NE1 TRP A 15 4.350 9.777 -5.833 1.00 0.00 N ATOM 199 CE2 TRP A 15 4.706 9.859 -4.513 1.00 0.00 C ATOM 200 CE3 TRP A 15 5.391 8.365 -2.743 1.00 0.00 C ATOM 201 CZ2 TRP A 15 4.797 10.967 -3.673 1.00 0.00 C ATOM 202 CZ3 TRP A 15 5.481 9.466 -1.912 1.00 0.00 C ATOM 203 CH2 TRP A 15 5.184 10.752 -2.379 1.00 0.00 C ATOM 0 H TRP A 15 5.011 3.983 -3.556 1.00 0.00 H new ATOM 0 HA TRP A 15 3.080 6.136 -4.213 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.923 5.945 -4.693 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.090 5.854 -6.232 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.176 8.104 -7.221 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.085 10.564 -6.426 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.620 7.376 -2.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.570 11.960 -4.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.786 9.332 -0.885 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.262 11.591 -1.704 1.00 0.00 H new ATOM 214 N VAL A 16 1.882 4.396 -5.524 1.00 0.00 N ATOM 215 CA VAL A 16 1.155 3.513 -6.428 1.00 0.00 C ATOM 216 C VAL A 16 1.322 3.952 -7.879 1.00 0.00 C ATOM 217 O VAL A 16 1.272 5.143 -8.186 1.00 0.00 O ATOM 218 CB VAL A 16 -0.346 3.467 -6.086 1.00 0.00 C ATOM 219 CG1 VAL A 16 -1.043 2.376 -6.882 1.00 0.00 C ATOM 220 CG2 VAL A 16 -0.549 3.262 -4.591 1.00 0.00 C ATOM 0 H VAL A 16 1.288 4.946 -4.903 1.00 0.00 H new ATOM 0 HA VAL A 16 1.578 2.516 -6.302 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.791 4.423 -6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.102 2.359 -6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.930 2.575 -7.948 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.597 1.410 -6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.616 3.232 -4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.089 2.322 -4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.088 4.085 -4.045 1.00 0.00 H new ATOM 230 N ASN A 17 1.520 2.983 -8.767 1.00 0.00 N ATOM 231 CA ASN A 17 1.695 3.269 -10.185 1.00 0.00 C ATOM 232 C ASN A 17 2.874 4.211 -10.417 1.00 0.00 C ATOM 233 O ASN A 17 2.952 4.880 -11.448 1.00 0.00 O ATOM 234 CB ASN A 17 0.418 3.882 -10.764 1.00 0.00 C ATOM 235 CG ASN A 17 -0.575 2.830 -11.217 1.00 0.00 C ATOM 236 OD1 ASN A 17 -0.446 1.653 -10.881 1.00 0.00 O ATOM 237 ND2 ASN A 17 -1.574 3.251 -11.985 1.00 0.00 N ATOM 0 H ASN A 17 1.563 1.992 -8.529 1.00 0.00 H new ATOM 0 HA ASN A 17 1.904 2.327 -10.693 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.049 4.519 -10.013 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.676 4.522 -11.608 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.273 2.589 -12.321 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.642 4.237 -12.239 1.00 0.00 H new ATOM 244 N GLY A 18 3.792 4.259 -9.454 1.00 0.00 N ATOM 245 CA GLY A 18 4.953 5.121 -9.576 1.00 0.00 C ATOM 246 C GLY A 18 4.583 6.570 -9.832 1.00 0.00 C ATOM 247 O GLY A 18 5.333 7.304 -10.475 1.00 0.00 O ATOM 0 H GLY A 18 3.751 3.716 -8.592 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.545 5.057 -8.663 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.583 4.762 -10.390 1.00 0.00 H new ATOM 251 N ASN A 19 3.424 6.983 -9.329 1.00 0.00 N ATOM 252 CA ASN A 19 2.960 8.353 -9.508 1.00 0.00 C ATOM 253 C ASN A 19 1.656 8.594 -8.754 1.00 0.00 C ATOM 254 O ASN A 19 0.779 9.318 -9.225 1.00 0.00 O ATOM 255 CB ASN A 19 2.765 8.656 -10.996 1.00 0.00 C ATOM 256 CG ASN A 19 3.105 10.092 -11.343 1.00 0.00 C ATOM 257 OD1 ASN A 19 3.978 10.352 -12.172 1.00 0.00 O ATOM 258 ND2 ASN A 19 2.416 11.033 -10.709 1.00 0.00 N ATOM 0 H ASN A 19 2.790 6.389 -8.795 1.00 0.00 H new ATOM 0 HA ASN A 19 3.719 9.021 -9.102 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.390 7.985 -11.585 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.730 8.453 -11.273 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.601 12.017 -10.901 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.701 10.772 -10.030 1.00 0.00 H new ATOM 265 N LYS A 20 1.535 7.983 -7.580 1.00 0.00 N ATOM 266 CA LYS A 20 0.338 8.132 -6.761 1.00 0.00 C ATOM 267 C LYS A 20 0.641 7.828 -5.293 1.00 0.00 C ATOM 268 O LYS A 20 0.651 6.667 -4.884 1.00 0.00 O ATOM 269 CB LYS A 20 -0.769 7.204 -7.264 1.00 0.00 C ATOM 270 CG LYS A 20 -1.172 7.463 -8.707 1.00 0.00 C ATOM 271 CD LYS A 20 -2.478 6.767 -9.053 1.00 0.00 C ATOM 272 CE LYS A 20 -3.000 7.206 -10.412 1.00 0.00 C ATOM 273 NZ LYS A 20 -3.151 8.686 -10.500 1.00 0.00 N ATOM 0 H LYS A 20 2.251 7.380 -7.175 1.00 0.00 H new ATOM 0 HA LYS A 20 0.002 9.166 -6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.436 6.170 -7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.645 7.317 -6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.276 8.536 -8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.384 7.114 -9.374 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.328 5.687 -9.051 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.222 6.987 -8.288 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.318 6.864 -11.190 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.963 6.731 -10.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.105 8.918 -10.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.011 9.106 -9.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.443 9.069 -11.158 1.00 0.00 H new ATOM 287 N PRO A 21 0.895 8.869 -4.480 1.00 0.00 N ATOM 288 CA PRO A 21 1.198 8.699 -3.055 1.00 0.00 C ATOM 289 C PRO A 21 -0.002 8.192 -2.264 1.00 0.00 C ATOM 290 O PRO A 21 -1.139 8.593 -2.513 1.00 0.00 O ATOM 291 CB PRO A 21 1.582 10.109 -2.597 1.00 0.00 C ATOM 292 CG PRO A 21 0.915 11.020 -3.569 1.00 0.00 C ATOM 293 CD PRO A 21 0.905 10.289 -4.881 1.00 0.00 C ATOM 0 HA PRO A 21 1.981 7.958 -2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.243 10.300 -1.579 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.663 10.246 -2.604 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.099 11.259 -3.248 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.454 11.964 -3.652 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.029 10.545 -5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.781 10.531 -5.483 1.00 0.00 H new ATOM 301 N GLY A 22 0.258 7.306 -1.308 1.00 0.00 N ATOM 302 CA GLY A 22 -0.810 6.757 -0.492 1.00 0.00 C ATOM 303 C GLY A 22 -0.288 5.998 0.712 1.00 0.00 C ATOM 304 O GLY A 22 0.765 5.364 0.645 1.00 0.00 O ATOM 0 H GLY A 22 1.190 6.958 -1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.458 7.566 -0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.422 6.091 -1.100 1.00 0.00 H new ATOM 308 N PHE A 23 -1.025 6.063 1.815 1.00 0.00 N ATOM 309 CA PHE A 23 -0.630 5.377 3.040 1.00 0.00 C ATOM 310 C PHE A 23 -1.026 3.905 2.990 1.00 0.00 C ATOM 311 O PHE A 23 -2.143 3.565 2.599 1.00 0.00 O ATOM 312 CB PHE A 23 -1.270 6.049 4.256 1.00 0.00 C ATOM 313 CG PHE A 23 -0.648 7.370 4.608 1.00 0.00 C ATOM 314 CD1 PHE A 23 0.623 7.428 5.156 1.00 0.00 C ATOM 315 CD2 PHE A 23 -1.333 8.554 4.389 1.00 0.00 C ATOM 316 CE1 PHE A 23 1.199 8.642 5.481 1.00 0.00 C ATOM 317 CE2 PHE A 23 -0.764 9.772 4.712 1.00 0.00 C ATOM 318 CZ PHE A 23 0.504 9.815 5.258 1.00 0.00 C ATOM 0 H PHE A 23 -1.899 6.584 1.886 1.00 0.00 H new ATOM 0 HA PHE A 23 0.455 5.440 3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.332 6.197 4.062 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.193 5.380 5.113 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.171 6.514 5.331 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.324 8.525 3.961 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.190 8.673 5.908 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.310 10.688 4.538 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.952 10.765 5.510 1.00 0.00 H new ATOM 328 N ILE A 24 -0.103 3.035 3.390 1.00 0.00 N ATOM 329 CA ILE A 24 -0.356 1.600 3.391 1.00 0.00 C ATOM 330 C ILE A 24 -1.149 1.182 4.624 1.00 0.00 C ATOM 331 O ILE A 24 -0.701 1.371 5.756 1.00 0.00 O ATOM 332 CB ILE A 24 0.959 0.797 3.344 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.868 1.332 2.236 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.669 -0.682 3.131 1.00 0.00 C ATOM 335 CD1 ILE A 24 3.219 0.652 2.182 1.00 0.00 C ATOM 0 H ILE A 24 0.826 3.300 3.717 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.939 1.382 2.496 1.00 0.00 H new ATOM 0 HB ILE A 24 1.473 0.913 4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.369 1.207 1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.014 2.402 2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.607 -1.236 3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.055 -1.054 3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.137 -0.817 2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.810 1.081 1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.738 0.799 3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.083 -0.415 2.005 1.00 0.00 H new ATOM 347 N GLN A 25 -2.328 0.612 4.398 1.00 0.00 N ATOM 348 CA GLN A 25 -3.185 0.168 5.492 1.00 0.00 C ATOM 349 C GLN A 25 -3.265 -1.355 5.538 1.00 0.00 C ATOM 350 O GLN A 25 -3.241 -1.956 6.611 1.00 0.00 O ATOM 351 CB GLN A 25 -4.588 0.759 5.341 1.00 0.00 C ATOM 352 CG GLN A 25 -4.694 2.203 5.803 1.00 0.00 C ATOM 353 CD GLN A 25 -4.271 2.385 7.248 1.00 0.00 C ATOM 354 OE1 GLN A 25 -4.612 1.577 8.113 1.00 0.00 O ATOM 355 NE2 GLN A 25 -3.524 3.450 7.517 1.00 0.00 N ATOM 0 H GLN A 25 -2.712 0.447 3.468 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.749 0.519 6.427 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.888 0.698 4.295 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.292 0.152 5.910 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.073 2.831 5.165 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.722 2.544 5.683 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.265 4.093 6.769 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.209 3.624 8.471 1.00 0.00 H new ATOM 364 N PHE A 26 -3.362 -1.973 4.365 1.00 0.00 N ATOM 365 CA PHE A 26 -3.447 -3.426 4.272 1.00 0.00 C ATOM 366 C PHE A 26 -2.375 -3.976 3.334 1.00 0.00 C ATOM 367 O PHE A 26 -2.084 -3.385 2.294 1.00 0.00 O ATOM 368 CB PHE A 26 -4.834 -3.845 3.782 1.00 0.00 C ATOM 369 CG PHE A 26 -5.151 -5.291 4.039 1.00 0.00 C ATOM 370 CD1 PHE A 26 -5.733 -5.684 5.234 1.00 0.00 C ATOM 371 CD2 PHE A 26 -4.867 -6.256 3.087 1.00 0.00 C ATOM 372 CE1 PHE A 26 -6.026 -7.013 5.474 1.00 0.00 C ATOM 373 CE2 PHE A 26 -5.158 -7.587 3.321 1.00 0.00 C ATOM 374 CZ PHE A 26 -5.738 -7.965 4.516 1.00 0.00 C ATOM 0 H PHE A 26 -3.384 -1.491 3.467 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.280 -3.840 5.267 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.585 -3.225 4.270 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.906 -3.650 2.712 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.960 -4.943 5.986 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.413 -5.965 2.151 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.479 -7.307 6.409 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.932 -8.330 2.571 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.966 -9.004 4.701 1.00 0.00 H new ATOM 384 N LEU A 27 -1.794 -5.110 3.710 1.00 0.00 N ATOM 385 CA LEU A 27 -0.756 -5.740 2.904 1.00 0.00 C ATOM 386 C LEU A 27 -0.907 -7.259 2.913 1.00 0.00 C ATOM 387 O LEU A 27 -0.858 -7.892 3.967 1.00 0.00 O ATOM 388 CB LEU A 27 0.631 -5.349 3.422 1.00 0.00 C ATOM 389 CG LEU A 27 1.315 -4.218 2.651 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.573 -3.766 3.374 1.00 0.00 C ATOM 391 CD2 LEU A 27 1.641 -4.663 1.233 1.00 0.00 C ATOM 0 H LEU A 27 -2.025 -5.611 4.568 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.864 -5.388 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.542 -5.053 4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.274 -6.229 3.393 1.00 0.00 H new ATOM 0 HG LEU A 27 0.630 -3.372 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.047 -2.961 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.312 -3.408 4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.264 -4.604 3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.127 -3.847 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.309 -5.524 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.721 -4.938 0.717 1.00 0.00 H new ATOM 403 N GLY A 28 -1.094 -7.837 1.730 1.00 0.00 N ATOM 404 CA GLY A 28 -1.250 -9.275 1.624 1.00 0.00 C ATOM 405 C GLY A 28 -2.225 -9.674 0.535 1.00 0.00 C ATOM 406 O GLY A 28 -2.718 -8.825 -0.207 1.00 0.00 O ATOM 0 H GLY A 28 -1.140 -7.334 0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.280 -9.729 1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.595 -9.671 2.579 1.00 0.00 H new ATOM 410 N GLU A 29 -2.503 -10.970 0.437 1.00 0.00 N ATOM 411 CA GLU A 29 -3.427 -11.480 -0.571 1.00 0.00 C ATOM 412 C GLU A 29 -4.868 -11.139 -0.210 1.00 0.00 C ATOM 413 O GLU A 29 -5.161 -10.751 0.922 1.00 0.00 O ATOM 414 CB GLU A 29 -3.270 -12.994 -0.717 1.00 0.00 C ATOM 415 CG GLU A 29 -3.480 -13.756 0.582 1.00 0.00 C ATOM 416 CD GLU A 29 -4.676 -14.688 0.527 1.00 0.00 C ATOM 417 OE1 GLU A 29 -4.726 -15.535 -0.390 1.00 0.00 O ATOM 418 OE2 GLU A 29 -5.561 -14.571 1.400 1.00 0.00 O ATOM 0 H GLU A 29 -2.102 -11.686 1.043 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.187 -11.004 -1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.982 -13.355 -1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.273 -13.212 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.584 -14.334 0.808 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.615 -13.046 1.397 1.00 0.00 H new ATOM 425 N THR A 30 -5.766 -11.284 -1.180 1.00 0.00 N ATOM 426 CA THR A 30 -7.179 -10.991 -0.963 1.00 0.00 C ATOM 427 C THR A 30 -8.045 -12.191 -1.331 1.00 0.00 C ATOM 428 O THR A 30 -7.537 -13.239 -1.730 1.00 0.00 O ATOM 429 CB THR A 30 -7.599 -9.773 -1.787 1.00 0.00 C ATOM 430 OG1 THR A 30 -7.128 -9.879 -3.119 1.00 0.00 O ATOM 431 CG2 THR A 30 -7.088 -8.465 -1.223 1.00 0.00 C ATOM 0 H THR A 30 -5.541 -11.602 -2.123 1.00 0.00 H new ATOM 0 HA THR A 30 -7.322 -10.773 0.095 1.00 0.00 H new ATOM 0 HB THR A 30 -8.688 -9.765 -1.754 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.696 -9.342 -3.710 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.421 -7.642 -1.855 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.475 -8.328 -0.213 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.999 -8.482 -1.194 1.00 0.00 H new ATOM 439 N GLN A 31 -9.357 -12.030 -1.195 1.00 0.00 N ATOM 440 CA GLN A 31 -10.296 -13.100 -1.513 1.00 0.00 C ATOM 441 C GLN A 31 -10.852 -12.936 -2.924 1.00 0.00 C ATOM 442 O GLN A 31 -11.150 -13.918 -3.603 1.00 0.00 O ATOM 443 CB GLN A 31 -11.442 -13.121 -0.500 1.00 0.00 C ATOM 444 CG GLN A 31 -10.974 -13.134 0.947 1.00 0.00 C ATOM 445 CD GLN A 31 -11.573 -14.278 1.744 1.00 0.00 C ATOM 446 OE1 GLN A 31 -10.865 -15.190 2.169 1.00 0.00 O ATOM 447 NE2 GLN A 31 -12.884 -14.232 1.951 1.00 0.00 N ATOM 0 H GLN A 31 -9.794 -11.169 -0.867 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.758 -14.047 -1.462 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.074 -12.248 -0.661 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.060 -14.000 -0.681 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.887 -13.208 0.973 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.240 -12.188 1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.432 -13.456 1.580 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.343 -14.973 2.481 1.00 0.00 H new ATOM 456 N PHE A 32 -10.988 -11.687 -3.358 1.00 0.00 N ATOM 457 CA PHE A 32 -11.509 -11.394 -4.689 1.00 0.00 C ATOM 458 C PHE A 32 -10.558 -11.901 -5.768 1.00 0.00 C ATOM 459 O PHE A 32 -10.988 -12.295 -6.853 1.00 0.00 O ATOM 460 CB PHE A 32 -11.729 -9.888 -4.853 1.00 0.00 C ATOM 461 CG PHE A 32 -10.484 -9.074 -4.651 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.510 -9.017 -5.636 1.00 0.00 C ATOM 463 CD2 PHE A 32 -10.286 -8.364 -3.478 1.00 0.00 C ATOM 464 CE1 PHE A 32 -8.364 -8.268 -5.454 1.00 0.00 C ATOM 465 CE2 PHE A 32 -9.143 -7.613 -3.290 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.179 -7.565 -4.279 1.00 0.00 C ATOM 0 H PHE A 32 -10.745 -10.863 -2.809 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.464 -11.908 -4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.123 -9.693 -5.851 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.487 -9.560 -4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.649 -9.565 -6.556 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.035 -8.398 -2.701 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.613 -8.232 -6.229 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.002 -7.064 -2.371 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.283 -6.979 -4.134 1.00 0.00 H new ATOM 476 N ALA A 33 -9.265 -11.890 -5.464 1.00 0.00 N ATOM 477 CA ALA A 33 -8.254 -12.349 -6.408 1.00 0.00 C ATOM 478 C ALA A 33 -7.071 -12.986 -5.680 1.00 0.00 C ATOM 479 O ALA A 33 -6.689 -12.543 -4.598 1.00 0.00 O ATOM 480 CB ALA A 33 -7.780 -11.194 -7.278 1.00 0.00 C ATOM 0 H ALA A 33 -8.893 -11.568 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.707 -13.108 -7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.025 -11.552 -7.978 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.625 -10.786 -7.833 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.350 -10.416 -6.647 1.00 0.00 H new ATOM 486 N PRO A 34 -6.475 -14.039 -6.268 1.00 0.00 N ATOM 487 CA PRO A 34 -5.333 -14.733 -5.667 1.00 0.00 C ATOM 488 C PRO A 34 -4.042 -13.929 -5.778 1.00 0.00 C ATOM 489 O PRO A 34 -3.985 -12.921 -6.481 1.00 0.00 O ATOM 490 CB PRO A 34 -5.234 -16.019 -6.489 1.00 0.00 C ATOM 491 CG PRO A 34 -5.791 -15.655 -7.821 1.00 0.00 C ATOM 492 CD PRO A 34 -6.866 -14.635 -7.560 1.00 0.00 C ATOM 0 HA PRO A 34 -5.471 -14.901 -4.599 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -4.202 -16.359 -6.570 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.801 -16.828 -6.029 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.016 -15.247 -8.469 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.199 -16.531 -8.325 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.908 -13.886 -8.351 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.852 -15.097 -7.506 1.00 0.00 H new ATOM 500 N GLY A 35 -3.006 -14.382 -5.079 1.00 0.00 N ATOM 501 CA GLY A 35 -1.730 -13.693 -5.112 1.00 0.00 C ATOM 502 C GLY A 35 -1.613 -12.634 -4.034 1.00 0.00 C ATOM 503 O GLY A 35 -2.580 -12.346 -3.329 1.00 0.00 O ATOM 0 H GLY A 35 -3.028 -15.215 -4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.926 -14.419 -4.992 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.597 -13.228 -6.089 1.00 0.00 H new ATOM 507 N GLN A 36 -0.424 -12.054 -3.904 1.00 0.00 N ATOM 508 CA GLN A 36 -0.182 -11.021 -2.904 1.00 0.00 C ATOM 509 C GLN A 36 -0.524 -9.640 -3.456 1.00 0.00 C ATOM 510 O GLN A 36 -0.060 -9.257 -4.530 1.00 0.00 O ATOM 511 CB GLN A 36 1.278 -11.056 -2.446 1.00 0.00 C ATOM 512 CG GLN A 36 1.467 -11.652 -1.061 1.00 0.00 C ATOM 513 CD GLN A 36 1.699 -13.150 -1.097 1.00 0.00 C ATOM 514 OE1 GLN A 36 2.392 -13.661 -1.977 1.00 0.00 O ATOM 515 NE2 GLN A 36 1.119 -13.863 -0.139 1.00 0.00 N ATOM 0 H GLN A 36 0.387 -12.282 -4.479 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.827 -11.220 -2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.861 -11.633 -3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.677 -10.042 -2.453 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.314 -11.169 -0.574 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.587 -11.439 -0.455 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.553 -13.398 0.571 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.240 -14.876 -0.113 1.00 0.00 H new ATOM 524 N TRP A 37 -1.338 -8.897 -2.714 1.00 0.00 N ATOM 525 CA TRP A 37 -1.742 -7.558 -3.128 1.00 0.00 C ATOM 526 C TRP A 37 -1.239 -6.508 -2.142 1.00 0.00 C ATOM 527 O TRP A 37 -0.731 -6.841 -1.071 1.00 0.00 O ATOM 528 CB TRP A 37 -3.265 -7.474 -3.245 1.00 0.00 C ATOM 529 CG TRP A 37 -3.822 -8.310 -4.357 1.00 0.00 C ATOM 530 CD1 TRP A 37 -4.260 -9.601 -4.272 1.00 0.00 C ATOM 531 CD2 TRP A 37 -4.000 -7.914 -5.721 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.700 -10.030 -5.500 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.551 -9.013 -6.406 1.00 0.00 C ATOM 534 CE3 TRP A 37 -3.749 -6.735 -6.431 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -4.852 -8.969 -7.765 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -4.049 -6.693 -7.780 1.00 0.00 C ATOM 537 CH2 TRP A 37 -4.597 -7.804 -8.434 1.00 0.00 C ATOM 0 H TRP A 37 -1.731 -9.199 -1.823 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.298 -7.358 -4.103 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.713 -7.790 -2.303 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.553 -6.435 -3.402 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -4.260 -10.197 -3.371 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -5.077 -10.956 -5.705 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.328 -5.873 -5.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.272 -9.825 -8.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.858 -5.789 -8.339 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.823 -7.739 -9.488 1.00 0.00 H new ATOM 548 N ALA A 38 -1.382 -5.240 -2.511 1.00 0.00 N ATOM 549 CA ALA A 38 -0.941 -4.142 -1.659 1.00 0.00 C ATOM 550 C ALA A 38 -2.024 -3.076 -1.533 1.00 0.00 C ATOM 551 O ALA A 38 -2.454 -2.494 -2.529 1.00 0.00 O ATOM 552 CB ALA A 38 0.341 -3.533 -2.205 1.00 0.00 C ATOM 0 H ALA A 38 -1.800 -4.947 -3.394 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.745 -4.542 -0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.659 -2.714 -1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.121 -4.294 -2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.164 -3.153 -3.211 1.00 0.00 H new ATOM 558 N GLY A 39 -2.461 -2.825 -0.304 1.00 0.00 N ATOM 559 CA GLY A 39 -3.490 -1.829 -0.071 1.00 0.00 C ATOM 560 C GLY A 39 -2.916 -0.472 0.282 1.00 0.00 C ATOM 561 O GLY A 39 -2.223 -0.327 1.288 1.00 0.00 O ATOM 0 H GLY A 39 -2.121 -3.294 0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.110 -1.737 -0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.141 -2.166 0.736 1.00 0.00 H new ATOM 565 N ILE A 40 -3.204 0.526 -0.549 1.00 0.00 N ATOM 566 CA ILE A 40 -2.710 1.878 -0.319 1.00 0.00 C ATOM 567 C ILE A 40 -3.851 2.891 -0.346 1.00 0.00 C ATOM 568 O ILE A 40 -4.747 2.809 -1.185 1.00 0.00 O ATOM 569 CB ILE A 40 -1.659 2.279 -1.372 1.00 0.00 C ATOM 570 CG1 ILE A 40 -0.602 1.180 -1.516 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.011 3.603 -0.995 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.586 0.534 -2.885 1.00 0.00 C ATOM 0 H ILE A 40 -3.777 0.423 -1.387 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.246 1.882 0.667 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.157 2.403 -2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.381 1.603 -1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.782 0.413 -0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.271 3.873 -1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.774 4.379 -0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.523 3.506 -0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.186 -0.235 -2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.557 0.081 -3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.376 1.290 -3.642 1.00 0.00 H new ATOM 584 N VAL A 41 -3.808 3.844 0.578 1.00 0.00 N ATOM 585 CA VAL A 41 -4.838 4.874 0.661 1.00 0.00 C ATOM 586 C VAL A 41 -4.480 6.079 -0.200 1.00 0.00 C ATOM 587 O VAL A 41 -3.586 6.854 0.140 1.00 0.00 O ATOM 588 CB VAL A 41 -5.050 5.340 2.114 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.258 6.262 2.211 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.205 4.144 3.041 1.00 0.00 C ATOM 0 H VAL A 41 -3.072 3.925 1.280 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.762 4.429 0.292 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.170 5.901 2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.391 6.580 3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.100 7.136 1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.149 5.730 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.354 4.493 4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.066 3.552 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.306 3.529 2.995 1.00 0.00 H new ATOM 600 N LEU A 42 -5.184 6.232 -1.318 1.00 0.00 N ATOM 601 CA LEU A 42 -4.939 7.344 -2.228 1.00 0.00 C ATOM 602 C LEU A 42 -5.392 8.663 -1.609 1.00 0.00 C ATOM 603 O LEU A 42 -6.520 8.781 -1.131 1.00 0.00 O ATOM 604 CB LEU A 42 -5.666 7.115 -3.554 1.00 0.00 C ATOM 605 CG LEU A 42 -5.182 5.907 -4.358 1.00 0.00 C ATOM 606 CD1 LEU A 42 -6.139 5.606 -5.500 1.00 0.00 C ATOM 607 CD2 LEU A 42 -3.776 6.151 -4.887 1.00 0.00 C ATOM 0 H LEU A 42 -5.928 5.600 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.866 7.399 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.730 6.994 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.558 8.008 -4.169 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.156 5.040 -3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.777 4.744 -6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.128 5.389 -5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.198 6.470 -6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.446 5.282 -5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.777 7.029 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.096 6.316 -4.051 1.00 0.00 H new ATOM 619 N ASP A 43 -4.504 9.652 -1.622 1.00 0.00 N ATOM 620 CA ASP A 43 -4.813 10.962 -1.061 1.00 0.00 C ATOM 621 C ASP A 43 -6.004 11.593 -1.774 1.00 0.00 C ATOM 622 O ASP A 43 -6.784 12.330 -1.169 1.00 0.00 O ATOM 623 CB ASP A 43 -3.596 11.884 -1.164 1.00 0.00 C ATOM 624 CG ASP A 43 -3.660 13.039 -0.184 1.00 0.00 C ATOM 625 OD1 ASP A 43 -4.604 13.850 -0.285 1.00 0.00 O ATOM 626 OD2 ASP A 43 -2.768 13.132 0.684 1.00 0.00 O ATOM 0 H ASP A 43 -3.566 9.571 -2.014 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.071 10.827 -0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.690 11.306 -0.982 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.525 12.276 -2.179 1.00 0.00 H new ATOM 631 N GLU A 44 -6.140 11.300 -3.063 1.00 0.00 N ATOM 632 CA GLU A 44 -7.237 11.838 -3.860 1.00 0.00 C ATOM 633 C GLU A 44 -8.204 10.732 -4.272 1.00 0.00 C ATOM 634 O GLU A 44 -7.821 9.566 -4.374 1.00 0.00 O ATOM 635 CB GLU A 44 -6.694 12.547 -5.101 1.00 0.00 C ATOM 636 CG GLU A 44 -5.572 13.527 -4.801 1.00 0.00 C ATOM 637 CD GLU A 44 -5.647 14.777 -5.656 1.00 0.00 C ATOM 638 OE1 GLU A 44 -6.724 15.409 -5.692 1.00 0.00 O ATOM 639 OE2 GLU A 44 -4.628 15.125 -6.288 1.00 0.00 O ATOM 0 H GLU A 44 -5.504 10.692 -3.579 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.779 12.559 -3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.333 11.799 -5.807 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.509 13.080 -5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.611 13.808 -3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.612 13.036 -4.964 1.00 0.00 H new ATOM 646 N PRO A 45 -9.479 11.083 -4.518 1.00 0.00 N ATOM 647 CA PRO A 45 -10.501 10.114 -4.922 1.00 0.00 C ATOM 648 C PRO A 45 -10.270 9.583 -6.333 1.00 0.00 C ATOM 649 O PRO A 45 -11.085 9.798 -7.231 1.00 0.00 O ATOM 650 CB PRO A 45 -11.802 10.919 -4.857 1.00 0.00 C ATOM 651 CG PRO A 45 -11.380 12.334 -5.052 1.00 0.00 C ATOM 652 CD PRO A 45 -10.021 12.453 -4.421 1.00 0.00 C ATOM 0 HA PRO A 45 -10.500 9.231 -4.283 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.502 10.604 -5.631 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.304 10.784 -3.899 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.341 12.587 -6.112 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.088 13.020 -4.586 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.394 13.172 -4.949 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.086 12.787 -3.386 1.00 0.00 H new ATOM 660 N ILE A 46 -9.153 8.888 -6.521 1.00 0.00 N ATOM 661 CA ILE A 46 -8.813 8.325 -7.823 1.00 0.00 C ATOM 662 C ILE A 46 -8.597 6.818 -7.729 1.00 0.00 C ATOM 663 O ILE A 46 -7.807 6.246 -8.481 1.00 0.00 O ATOM 664 CB ILE A 46 -7.545 8.978 -8.405 1.00 0.00 C ATOM 665 CG1 ILE A 46 -6.432 9.006 -7.356 1.00 0.00 C ATOM 666 CG2 ILE A 46 -7.852 10.383 -8.899 1.00 0.00 C ATOM 667 CD1 ILE A 46 -5.046 8.852 -7.941 1.00 0.00 C ATOM 0 H ILE A 46 -8.468 8.701 -5.789 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.654 8.530 -8.486 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.204 8.383 -9.252 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.484 9.947 -6.808 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.604 8.207 -6.634 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.946 10.831 -9.307 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.616 10.337 -9.675 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.214 10.989 -8.069 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.308 8.881 -7.140 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.976 7.899 -8.465 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.854 9.665 -8.641 1.00 0.00 H new ATOM 679 N GLY A 47 -9.303 6.180 -6.801 1.00 0.00 N ATOM 680 CA GLY A 47 -9.174 4.745 -6.626 1.00 0.00 C ATOM 681 C GLY A 47 -10.404 3.992 -7.092 1.00 0.00 C ATOM 682 O GLY A 47 -11.299 4.571 -7.709 1.00 0.00 O ATOM 0 H GLY A 47 -9.962 6.631 -6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.304 4.391 -7.179 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.994 4.525 -5.574 1.00 0.00 H new ATOM 686 N LYS A 48 -10.449 2.697 -6.799 1.00 0.00 N ATOM 687 CA LYS A 48 -11.578 1.862 -7.193 1.00 0.00 C ATOM 688 C LYS A 48 -12.030 0.977 -6.036 1.00 0.00 C ATOM 689 O LYS A 48 -12.534 -0.127 -6.246 1.00 0.00 O ATOM 690 CB LYS A 48 -11.204 0.997 -8.398 1.00 0.00 C ATOM 691 CG LYS A 48 -10.590 1.784 -9.544 1.00 0.00 C ATOM 692 CD LYS A 48 -11.657 2.377 -10.449 1.00 0.00 C ATOM 693 CE LYS A 48 -11.267 2.276 -11.914 1.00 0.00 C ATOM 694 NZ LYS A 48 -11.926 3.325 -12.740 1.00 0.00 N ATOM 0 H LYS A 48 -9.716 2.202 -6.290 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.404 2.518 -7.469 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.501 0.228 -8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.096 0.484 -8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.966 2.583 -9.144 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.939 1.132 -10.126 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.602 1.858 -10.287 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.818 3.422 -10.186 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.185 2.367 -12.008 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.538 1.291 -12.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.633 3.220 -13.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.959 3.223 -12.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.647 4.265 -12.394 1.00 0.00 H new ATOM 708 N ASN A 49 -11.847 1.468 -4.815 1.00 0.00 N ATOM 709 CA ASN A 49 -12.237 0.721 -3.624 1.00 0.00 C ATOM 710 C ASN A 49 -12.169 1.605 -2.383 1.00 0.00 C ATOM 711 O ASN A 49 -11.244 2.402 -2.227 1.00 0.00 O ATOM 712 CB ASN A 49 -11.335 -0.501 -3.444 1.00 0.00 C ATOM 713 CG ASN A 49 -11.903 -1.740 -4.110 1.00 0.00 C ATOM 714 OD1 ASN A 49 -13.094 -2.029 -3.998 1.00 0.00 O ATOM 715 ND2 ASN A 49 -11.048 -2.481 -4.807 1.00 0.00 N ATOM 0 H ASN A 49 -11.431 2.380 -4.624 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.266 0.387 -3.755 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.350 -0.287 -3.860 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.197 -0.694 -2.380 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.371 -3.327 -5.276 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.069 -2.203 -4.873 1.00 0.00 H new ATOM 722 N ASP A 50 -13.154 1.458 -1.503 1.00 0.00 N ATOM 723 CA ASP A 50 -13.204 2.244 -0.275 1.00 0.00 C ATOM 724 C ASP A 50 -12.981 1.359 0.947 1.00 0.00 C ATOM 725 O ASP A 50 -13.518 1.622 2.023 1.00 0.00 O ATOM 726 CB ASP A 50 -14.551 2.961 -0.160 1.00 0.00 C ATOM 727 CG ASP A 50 -15.724 2.004 -0.233 1.00 0.00 C ATOM 728 OD1 ASP A 50 -15.820 1.258 -1.230 1.00 0.00 O ATOM 729 OD2 ASP A 50 -16.547 2.000 0.707 1.00 0.00 O ATOM 0 H ASP A 50 -13.927 0.803 -1.617 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.406 2.986 -0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.589 3.507 0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.637 3.698 -0.959 1.00 0.00 H new ATOM 734 N GLY A 51 -12.184 0.309 0.772 1.00 0.00 N ATOM 735 CA GLY A 51 -11.904 -0.600 1.868 1.00 0.00 C ATOM 736 C GLY A 51 -12.515 -1.970 1.656 1.00 0.00 C ATOM 737 O GLY A 51 -12.003 -2.970 2.161 1.00 0.00 O ATOM 0 H GLY A 51 -11.728 0.072 -0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.825 -0.701 1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.287 -0.175 2.796 1.00 0.00 H new ATOM 741 N SER A 52 -13.612 -2.018 0.906 1.00 0.00 N ATOM 742 CA SER A 52 -14.294 -3.276 0.627 1.00 0.00 C ATOM 743 C SER A 52 -14.191 -3.633 -0.852 1.00 0.00 C ATOM 744 O SER A 52 -14.171 -2.753 -1.712 1.00 0.00 O ATOM 745 CB SER A 52 -15.763 -3.186 1.043 1.00 0.00 C ATOM 746 OG SER A 52 -16.213 -4.411 1.595 1.00 0.00 O ATOM 0 H SER A 52 -14.047 -1.199 0.481 1.00 0.00 H new ATOM 0 HA SER A 52 -13.808 -4.062 1.206 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.889 -2.387 1.773 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.374 -2.927 0.178 1.00 0.00 H new ATOM 0 HG SER A 52 -17.154 -4.327 1.854 1.00 0.00 H new ATOM 752 N VAL A 53 -14.128 -4.928 -1.140 1.00 0.00 N ATOM 753 CA VAL A 53 -14.029 -5.401 -2.516 1.00 0.00 C ATOM 754 C VAL A 53 -14.898 -6.634 -2.737 1.00 0.00 C ATOM 755 O VAL A 53 -14.576 -7.725 -2.267 1.00 0.00 O ATOM 756 CB VAL A 53 -12.573 -5.739 -2.890 1.00 0.00 C ATOM 757 CG1 VAL A 53 -12.458 -6.036 -4.376 1.00 0.00 C ATOM 758 CG2 VAL A 53 -11.644 -4.602 -2.492 1.00 0.00 C ATOM 0 H VAL A 53 -14.144 -5.669 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.382 -4.592 -3.155 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.274 -6.632 -2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.422 -6.272 -4.621 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.093 -6.885 -4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.776 -5.164 -4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.620 -4.857 -2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.941 -3.691 -3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.705 -4.442 -1.416 1.00 0.00 H new ATOM 768 N ALA A 54 -16.001 -6.453 -3.456 1.00 0.00 N ATOM 769 CA ALA A 54 -16.917 -7.550 -3.741 1.00 0.00 C ATOM 770 C ALA A 54 -17.492 -8.132 -2.454 1.00 0.00 C ATOM 771 O ALA A 54 -17.805 -9.322 -2.384 1.00 0.00 O ATOM 772 CB ALA A 54 -16.210 -8.634 -4.542 1.00 0.00 C ATOM 0 H ALA A 54 -16.282 -5.556 -3.852 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.743 -7.156 -4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -16.906 -9.447 -4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -15.852 -8.216 -5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.365 -9.016 -3.970 1.00 0.00 H new ATOM 778 N GLY A 55 -17.630 -7.287 -1.438 1.00 0.00 N ATOM 779 CA GLY A 55 -18.169 -7.736 -0.167 1.00 0.00 C ATOM 780 C GLY A 55 -17.092 -8.235 0.776 1.00 0.00 C ATOM 781 O GLY A 55 -17.340 -9.112 1.603 1.00 0.00 O ATOM 0 H GLY A 55 -17.378 -6.299 -1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.709 -6.915 0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.891 -8.533 -0.343 1.00 0.00 H new ATOM 785 N VAL A 56 -15.893 -7.676 0.651 1.00 0.00 N ATOM 786 CA VAL A 56 -14.775 -8.070 1.500 1.00 0.00 C ATOM 787 C VAL A 56 -13.990 -6.852 1.974 1.00 0.00 C ATOM 788 O VAL A 56 -13.260 -6.231 1.202 1.00 0.00 O ATOM 789 CB VAL A 56 -13.818 -9.026 0.761 1.00 0.00 C ATOM 790 CG1 VAL A 56 -12.784 -9.593 1.721 1.00 0.00 C ATOM 791 CG2 VAL A 56 -14.598 -10.143 0.084 1.00 0.00 C ATOM 0 H VAL A 56 -15.671 -6.949 -0.029 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.199 -8.585 2.362 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.293 -8.462 -0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.117 -10.266 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.204 -8.778 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.288 -10.142 2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.906 -10.808 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -15.151 -10.707 0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.296 -9.715 -0.636 1.00 0.00 H new ATOM 801 N ARG A 57 -14.148 -6.515 3.250 1.00 0.00 N ATOM 802 CA ARG A 57 -13.455 -5.368 3.829 1.00 0.00 C ATOM 803 C ARG A 57 -12.058 -5.757 4.300 1.00 0.00 C ATOM 804 O ARG A 57 -11.838 -6.873 4.773 1.00 0.00 O ATOM 805 CB ARG A 57 -14.259 -4.798 4.999 1.00 0.00 C ATOM 806 CG ARG A 57 -13.739 -3.459 5.498 1.00 0.00 C ATOM 807 CD ARG A 57 -14.877 -2.508 5.836 1.00 0.00 C ATOM 808 NE ARG A 57 -15.151 -2.472 7.270 1.00 0.00 N ATOM 809 CZ ARG A 57 -16.273 -1.989 7.798 1.00 0.00 C ATOM 810 NH1 ARG A 57 -17.228 -1.501 7.014 1.00 0.00 N ATOM 811 NH2 ARG A 57 -16.443 -1.993 9.113 1.00 0.00 N ATOM 0 H ARG A 57 -14.749 -7.019 3.903 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.359 -4.605 3.056 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.299 -4.684 4.693 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.245 -5.513 5.821 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.120 -3.615 6.381 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.102 -3.009 4.737 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.627 -1.505 5.489 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.777 -2.815 5.302 1.00 0.00 H new ATOM 0 HE ARG A 57 -14.441 -2.838 7.904 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -17.103 -1.495 6.002 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.086 -1.132 7.424 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.714 -2.366 9.720 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -17.303 -1.623 9.517 1.00 0.00 H new ATOM 825 N TYR A 58 -11.115 -4.830 4.166 1.00 0.00 N ATOM 826 CA TYR A 58 -9.737 -5.074 4.577 1.00 0.00 C ATOM 827 C TYR A 58 -9.249 -3.979 5.521 1.00 0.00 C ATOM 828 O TYR A 58 -8.692 -4.262 6.581 1.00 0.00 O ATOM 829 CB TYR A 58 -8.824 -5.152 3.353 1.00 0.00 C ATOM 830 CG TYR A 58 -9.232 -6.216 2.358 1.00 0.00 C ATOM 831 CD1 TYR A 58 -8.791 -7.526 2.493 1.00 0.00 C ATOM 832 CD2 TYR A 58 -10.058 -5.909 1.285 1.00 0.00 C ATOM 833 CE1 TYR A 58 -9.161 -8.500 1.586 1.00 0.00 C ATOM 834 CE2 TYR A 58 -10.433 -6.877 0.373 1.00 0.00 C ATOM 835 CZ TYR A 58 -9.982 -8.171 0.528 1.00 0.00 C ATOM 836 OH TYR A 58 -10.354 -9.139 -0.378 1.00 0.00 O ATOM 0 H TYR A 58 -11.280 -3.902 3.776 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.705 -6.026 5.106 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.817 -4.183 2.853 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.804 -5.348 3.683 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.148 -7.787 3.321 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.413 -4.897 1.161 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.809 -9.514 1.705 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.076 -6.622 -0.457 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.245 -8.794 -1.289 1.00 0.00 H new ATOM 846 N PHE A 59 -9.462 -2.727 5.127 1.00 0.00 N ATOM 847 CA PHE A 59 -9.044 -1.589 5.939 1.00 0.00 C ATOM 848 C PHE A 59 -9.988 -0.407 5.745 1.00 0.00 C ATOM 849 O PHE A 59 -10.331 -0.051 4.617 1.00 0.00 O ATOM 850 CB PHE A 59 -7.614 -1.179 5.580 1.00 0.00 C ATOM 851 CG PHE A 59 -7.447 -0.776 4.143 1.00 0.00 C ATOM 852 CD1 PHE A 59 -7.417 -1.732 3.141 1.00 0.00 C ATOM 853 CD2 PHE A 59 -7.317 0.559 3.795 1.00 0.00 C ATOM 854 CE1 PHE A 59 -7.263 -1.364 1.818 1.00 0.00 C ATOM 855 CE2 PHE A 59 -7.163 0.933 2.473 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.136 -0.030 1.483 1.00 0.00 C ATOM 0 H PHE A 59 -9.921 -2.475 4.252 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.077 -1.889 6.986 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.312 -0.349 6.219 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.942 -2.009 5.796 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.515 -2.777 3.397 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.336 1.316 4.565 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.242 -2.119 1.046 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.064 1.977 2.215 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.016 0.259 0.449 1.00 0.00 H new ATOM 866 N GLN A 60 -10.404 0.198 6.854 1.00 0.00 N ATOM 867 CA GLN A 60 -11.309 1.341 6.807 1.00 0.00 C ATOM 868 C GLN A 60 -10.612 2.563 6.214 1.00 0.00 C ATOM 869 O GLN A 60 -9.632 3.060 6.769 1.00 0.00 O ATOM 870 CB GLN A 60 -11.827 1.665 8.209 1.00 0.00 C ATOM 871 CG GLN A 60 -12.981 2.653 8.217 1.00 0.00 C ATOM 872 CD GLN A 60 -14.261 2.059 7.660 1.00 0.00 C ATOM 873 OE1 GLN A 60 -15.114 1.582 8.407 1.00 0.00 O ATOM 874 NE2 GLN A 60 -14.400 2.086 6.339 1.00 0.00 N ATOM 0 H GLN A 60 -10.129 -0.084 7.795 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.152 1.080 6.167 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.147 0.741 8.692 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.009 2.070 8.805 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.157 2.993 9.238 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.707 3.531 7.632 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -13.667 2.492 5.757 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.240 1.701 5.907 1.00 0.00 H new ATOM 883 N CYS A 61 -11.124 3.040 5.085 1.00 0.00 N ATOM 884 CA CYS A 61 -10.551 4.203 4.417 1.00 0.00 C ATOM 885 C CYS A 61 -11.646 5.081 3.819 1.00 0.00 C ATOM 886 O CYS A 61 -12.810 4.687 3.764 1.00 0.00 O ATOM 887 CB CYS A 61 -9.579 3.762 3.322 1.00 0.00 C ATOM 888 SG CYS A 61 -10.350 2.810 1.992 1.00 0.00 S ATOM 0 H CYS A 61 -11.935 2.639 4.613 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.008 4.787 5.160 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.105 4.645 2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.788 3.162 3.773 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.561 1.839 1.640 1.00 0.00 H new ATOM 894 N GLU A 62 -11.263 6.273 3.372 1.00 0.00 N ATOM 895 CA GLU A 62 -12.212 7.207 2.779 1.00 0.00 C ATOM 896 C GLU A 62 -12.710 6.694 1.430 1.00 0.00 C ATOM 897 O GLU A 62 -12.044 5.891 0.777 1.00 0.00 O ATOM 898 CB GLU A 62 -11.565 8.584 2.607 1.00 0.00 C ATOM 899 CG GLU A 62 -11.833 9.530 3.766 1.00 0.00 C ATOM 900 CD GLU A 62 -10.632 9.692 4.677 1.00 0.00 C ATOM 901 OE1 GLU A 62 -9.491 9.577 4.180 1.00 0.00 O ATOM 902 OE2 GLU A 62 -10.831 9.935 5.886 1.00 0.00 O ATOM 0 H GLU A 62 -10.302 6.614 3.409 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.065 7.295 3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.488 8.459 2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.933 9.037 1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.121 10.506 3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.677 9.157 4.347 1.00 0.00 H new ATOM 909 N PRO A 63 -13.897 7.152 0.994 1.00 0.00 N ATOM 910 CA PRO A 63 -14.485 6.735 -0.283 1.00 0.00 C ATOM 911 C PRO A 63 -13.555 6.986 -1.464 1.00 0.00 C ATOM 912 O PRO A 63 -12.998 8.075 -1.608 1.00 0.00 O ATOM 913 CB PRO A 63 -15.739 7.604 -0.404 1.00 0.00 C ATOM 914 CG PRO A 63 -16.074 7.986 0.995 1.00 0.00 C ATOM 915 CD PRO A 63 -14.759 8.108 1.712 1.00 0.00 C ATOM 0 HA PRO A 63 -14.687 5.664 -0.301 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.553 8.484 -1.020 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.557 7.055 -0.871 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.623 8.927 1.023 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.707 7.234 1.465 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.365 9.123 1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.851 7.854 2.768 1.00 0.00 H new ATOM 923 N LEU A 64 -13.397 5.975 -2.310 1.00 0.00 N ATOM 924 CA LEU A 64 -12.542 6.086 -3.487 1.00 0.00 C ATOM 925 C LEU A 64 -11.116 6.467 -3.101 1.00 0.00 C ATOM 926 O LEU A 64 -10.398 7.088 -3.885 1.00 0.00 O ATOM 927 CB LEU A 64 -13.116 7.120 -4.456 1.00 0.00 C ATOM 928 CG LEU A 64 -14.601 6.943 -4.788 1.00 0.00 C ATOM 929 CD1 LEU A 64 -15.410 8.127 -4.278 1.00 0.00 C ATOM 930 CD2 LEU A 64 -14.798 6.769 -6.287 1.00 0.00 C ATOM 0 H LEU A 64 -13.850 5.068 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.511 5.112 -3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.970 8.113 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.545 7.083 -5.384 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.957 6.043 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -16.462 7.982 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.298 8.206 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -15.051 9.043 -4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.859 6.645 -6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.423 7.650 -6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.253 5.888 -6.626 1.00 0.00 H new ATOM 942 N LYS A 65 -10.708 6.091 -1.894 1.00 0.00 N ATOM 943 CA LYS A 65 -9.364 6.395 -1.413 1.00 0.00 C ATOM 944 C LYS A 65 -8.625 5.118 -1.026 1.00 0.00 C ATOM 945 O LYS A 65 -7.981 5.053 0.022 1.00 0.00 O ATOM 946 CB LYS A 65 -9.428 7.347 -0.216 1.00 0.00 C ATOM 947 CG LYS A 65 -9.900 8.747 -0.576 1.00 0.00 C ATOM 948 CD LYS A 65 -9.200 9.803 0.264 1.00 0.00 C ATOM 949 CE LYS A 65 -9.652 11.205 -0.115 1.00 0.00 C ATOM 950 NZ LYS A 65 -9.739 12.100 1.071 1.00 0.00 N ATOM 0 H LYS A 65 -11.287 5.576 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.817 6.880 -2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.098 6.929 0.535 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.440 7.412 0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.710 8.936 -1.633 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.978 8.818 -0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.406 9.626 1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.121 9.719 0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.955 11.628 -0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.625 11.153 -0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.050 13.046 0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.423 11.710 1.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.805 12.170 1.522 1.00 0.00 H new ATOM 964 N GLY A 66 -8.722 4.105 -1.879 1.00 0.00 N ATOM 965 CA GLY A 66 -8.058 2.843 -1.611 1.00 0.00 C ATOM 966 C GLY A 66 -8.103 1.899 -2.797 1.00 0.00 C ATOM 967 O GLY A 66 -9.163 1.683 -3.386 1.00 0.00 O ATOM 0 H GLY A 66 -9.249 4.135 -2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.019 3.033 -1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.528 2.364 -0.752 1.00 0.00 H new ATOM 971 N ILE A 67 -6.952 1.338 -3.149 1.00 0.00 N ATOM 972 CA ILE A 67 -6.864 0.413 -4.273 1.00 0.00 C ATOM 973 C ILE A 67 -5.909 -0.736 -3.964 1.00 0.00 C ATOM 974 O ILE A 67 -5.043 -0.621 -3.096 1.00 0.00 O ATOM 975 CB ILE A 67 -6.398 1.131 -5.556 1.00 0.00 C ATOM 976 CG1 ILE A 67 -6.413 0.167 -6.744 1.00 0.00 C ATOM 977 CG2 ILE A 67 -5.009 1.720 -5.362 1.00 0.00 C ATOM 978 CD1 ILE A 67 -6.273 0.856 -8.084 1.00 0.00 C ATOM 0 H ILE A 67 -6.066 1.507 -2.672 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.865 0.013 -4.436 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.090 1.946 -5.767 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.602 -0.552 -6.628 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.345 -0.398 -6.731 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.696 2.223 -6.277 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.030 2.438 -4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.305 0.922 -5.128 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.292 0.111 -8.880 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.098 1.555 -8.222 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.328 1.399 -8.117 1.00 0.00 H new ATOM 990 N PHE A 68 -6.074 -1.845 -4.678 1.00 0.00 N ATOM 991 CA PHE A 68 -5.227 -3.015 -4.480 1.00 0.00 C ATOM 992 C PHE A 68 -4.403 -3.310 -5.729 1.00 0.00 C ATOM 993 O PHE A 68 -4.939 -3.391 -6.834 1.00 0.00 O ATOM 994 CB PHE A 68 -6.081 -4.233 -4.119 1.00 0.00 C ATOM 995 CG PHE A 68 -6.910 -4.039 -2.880 1.00 0.00 C ATOM 996 CD1 PHE A 68 -8.178 -3.488 -2.958 1.00 0.00 C ATOM 997 CD2 PHE A 68 -6.418 -4.408 -1.638 1.00 0.00 C ATOM 998 CE1 PHE A 68 -8.942 -3.310 -1.820 1.00 0.00 C ATOM 999 CE2 PHE A 68 -7.176 -4.232 -0.497 1.00 0.00 C ATOM 1000 CZ PHE A 68 -8.441 -3.682 -0.588 1.00 0.00 C ATOM 0 H PHE A 68 -6.787 -1.958 -5.399 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.543 -2.802 -3.659 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.741 -4.465 -4.955 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.429 -5.095 -3.979 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.574 -3.194 -3.919 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.430 -4.838 -1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.930 -2.880 -1.894 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.781 -4.524 0.465 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.036 -3.544 0.302 1.00 0.00 H new ATOM 1010 N THR A 69 -3.097 -3.468 -5.545 1.00 0.00 N ATOM 1011 CA THR A 69 -2.196 -3.753 -6.656 1.00 0.00 C ATOM 1012 C THR A 69 -0.984 -4.547 -6.181 1.00 0.00 C ATOM 1013 O THR A 69 -0.781 -4.733 -4.981 1.00 0.00 O ATOM 1014 CB THR A 69 -1.741 -2.452 -7.317 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.685 -2.695 -8.230 1.00 0.00 O ATOM 1016 CG2 THR A 69 -1.262 -1.413 -6.327 1.00 0.00 C ATOM 0 H THR A 69 -2.638 -3.404 -4.636 1.00 0.00 H new ATOM 0 HA THR A 69 -2.738 -4.353 -7.387 1.00 0.00 H new ATOM 0 HB THR A 69 -2.623 -2.064 -7.827 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.409 -1.850 -8.644 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.954 -0.515 -6.862 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.071 -1.166 -5.639 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.416 -1.809 -5.765 1.00 0.00 H new ATOM 1024 N ARG A 70 -0.177 -5.012 -7.130 1.00 0.00 N ATOM 1025 CA ARG A 70 1.016 -5.785 -6.807 1.00 0.00 C ATOM 1026 C ARG A 70 2.067 -4.907 -6.130 1.00 0.00 C ATOM 1027 O ARG A 70 2.393 -3.827 -6.625 1.00 0.00 O ATOM 1028 CB ARG A 70 1.600 -6.414 -8.073 1.00 0.00 C ATOM 1029 CG ARG A 70 0.592 -7.230 -8.868 1.00 0.00 C ATOM 1030 CD ARG A 70 1.135 -8.607 -9.213 1.00 0.00 C ATOM 1031 NE ARG A 70 0.066 -9.570 -9.468 1.00 0.00 N ATOM 1032 CZ ARG A 70 -0.625 -9.627 -10.604 1.00 0.00 C ATOM 1033 NH1 ARG A 70 -0.361 -8.783 -11.593 1.00 0.00 N ATOM 1034 NH2 ARG A 70 -1.582 -10.533 -10.753 1.00 0.00 N ATOM 0 H ARG A 70 -0.328 -4.867 -8.128 1.00 0.00 H new ATOM 0 HA ARG A 70 0.729 -6.577 -6.115 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.999 -5.625 -8.710 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.437 -7.055 -7.797 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.328 -7.335 -8.292 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.335 -6.699 -9.785 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.775 -8.534 -10.093 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.759 -8.966 -8.394 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.164 -10.238 -8.732 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.375 -8.085 -11.485 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.894 -8.832 -12.461 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.788 -11.186 -9.997 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.112 -10.577 -11.624 1.00 0.00 H new ATOM 1048 N PRO A 71 2.618 -5.355 -4.985 1.00 0.00 N ATOM 1049 CA PRO A 71 3.637 -4.595 -4.254 1.00 0.00 C ATOM 1050 C PRO A 71 4.838 -4.251 -5.129 1.00 0.00 C ATOM 1051 O PRO A 71 5.421 -3.174 -5.006 1.00 0.00 O ATOM 1052 CB PRO A 71 4.057 -5.542 -3.125 1.00 0.00 C ATOM 1053 CG PRO A 71 2.907 -6.472 -2.956 1.00 0.00 C ATOM 1054 CD PRO A 71 2.296 -6.631 -4.319 1.00 0.00 C ATOM 0 HA PRO A 71 3.252 -3.638 -3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.968 -6.083 -3.382 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.260 -4.994 -2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.238 -7.433 -2.563 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.182 -6.070 -2.248 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.719 -7.482 -4.853 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.220 -6.794 -4.261 1.00 0.00 H new ATOM 1062 N SER A 72 5.203 -5.175 -6.011 1.00 0.00 N ATOM 1063 CA SER A 72 6.334 -4.975 -6.908 1.00 0.00 C ATOM 1064 C SER A 72 6.148 -3.720 -7.759 1.00 0.00 C ATOM 1065 O SER A 72 7.116 -3.158 -8.272 1.00 0.00 O ATOM 1066 CB SER A 72 6.519 -6.198 -7.810 1.00 0.00 C ATOM 1067 OG SER A 72 7.816 -6.749 -7.662 1.00 0.00 O ATOM 0 H SER A 72 4.730 -6.072 -6.124 1.00 0.00 H new ATOM 0 HA SER A 72 7.227 -4.843 -6.298 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.770 -6.951 -7.565 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.357 -5.915 -8.850 1.00 0.00 H new ATOM 0 HG SER A 72 7.908 -7.530 -8.247 1.00 0.00 H new ATOM 1073 N LYS A 73 4.899 -3.285 -7.909 1.00 0.00 N ATOM 1074 CA LYS A 73 4.593 -2.099 -8.700 1.00 0.00 C ATOM 1075 C LYS A 73 4.478 -0.862 -7.813 1.00 0.00 C ATOM 1076 O LYS A 73 3.729 0.065 -8.120 1.00 0.00 O ATOM 1077 CB LYS A 73 3.294 -2.303 -9.481 1.00 0.00 C ATOM 1078 CG LYS A 73 3.400 -3.353 -10.574 1.00 0.00 C ATOM 1079 CD LYS A 73 4.202 -2.842 -11.760 1.00 0.00 C ATOM 1080 CE LYS A 73 4.119 -3.796 -12.941 1.00 0.00 C ATOM 1081 NZ LYS A 73 4.056 -3.069 -14.239 1.00 0.00 N ATOM 0 H LYS A 73 4.084 -3.736 -7.493 1.00 0.00 H new ATOM 0 HA LYS A 73 5.412 -1.943 -9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.504 -2.591 -8.787 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.996 -1.355 -9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.872 -4.250 -10.174 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.401 -3.638 -10.904 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.830 -1.861 -12.056 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.244 -2.713 -11.468 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.987 -4.456 -12.936 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.237 -4.428 -12.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.000 -3.755 -15.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.214 -2.458 -14.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.909 -2.485 -14.352 1.00 0.00 H new ATOM 1095 N LEU A 74 5.224 -0.853 -6.712 1.00 0.00 N ATOM 1096 CA LEU A 74 5.204 0.271 -5.784 1.00 0.00 C ATOM 1097 C LEU A 74 6.583 0.915 -5.683 1.00 0.00 C ATOM 1098 O LEU A 74 7.591 0.225 -5.528 1.00 0.00 O ATOM 1099 CB LEU A 74 4.740 -0.189 -4.401 1.00 0.00 C ATOM 1100 CG LEU A 74 3.393 -0.913 -4.377 1.00 0.00 C ATOM 1101 CD1 LEU A 74 3.050 -1.355 -2.963 1.00 0.00 C ATOM 1102 CD2 LEU A 74 2.298 -0.019 -4.938 1.00 0.00 C ATOM 0 H LEU A 74 5.850 -1.612 -6.442 1.00 0.00 H new ATOM 0 HA LEU A 74 4.502 1.013 -6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.498 -0.850 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.679 0.681 -3.747 1.00 0.00 H new ATOM 0 HG LEU A 74 3.468 -1.801 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.088 -1.868 -2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.822 -2.032 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.994 -0.482 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.346 -0.550 -4.913 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.224 0.887 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.538 0.248 -5.967 1.00 0.00 H new ATOM 1114 N THR A 75 6.621 2.240 -5.771 1.00 0.00 N ATOM 1115 CA THR A 75 7.878 2.977 -5.689 1.00 0.00 C ATOM 1116 C THR A 75 7.962 3.768 -4.388 1.00 0.00 C ATOM 1117 O THR A 75 6.946 4.034 -3.745 1.00 0.00 O ATOM 1118 CB THR A 75 8.018 3.921 -6.883 1.00 0.00 C ATOM 1119 OG1 THR A 75 7.061 4.963 -6.815 1.00 0.00 O ATOM 1120 CG2 THR A 75 7.846 3.228 -8.218 1.00 0.00 C ATOM 0 H THR A 75 5.796 2.826 -5.899 1.00 0.00 H new ATOM 0 HA THR A 75 8.695 2.255 -5.707 1.00 0.00 H new ATOM 0 HB THR A 75 9.033 4.313 -6.822 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.267 5.641 -7.492 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.957 3.955 -9.022 1.00 0.00 H new ATOM 0 HG22 THR A 75 8.602 2.450 -8.324 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.854 2.779 -8.270 1.00 0.00 H new ATOM 1128 N ARG A 76 9.179 4.143 -4.007 1.00 0.00 N ATOM 1129 CA ARG A 76 9.397 4.904 -2.783 1.00 0.00 C ATOM 1130 C ARG A 76 9.650 6.376 -3.095 1.00 0.00 C ATOM 1131 O ARG A 76 10.796 6.800 -3.243 1.00 0.00 O ATOM 1132 CB ARG A 76 10.578 4.327 -2.002 1.00 0.00 C ATOM 1133 CG ARG A 76 10.310 2.945 -1.428 1.00 0.00 C ATOM 1134 CD ARG A 76 11.349 2.565 -0.384 1.00 0.00 C ATOM 1135 NE ARG A 76 11.387 3.517 0.722 1.00 0.00 N ATOM 1136 CZ ARG A 76 10.507 3.530 1.722 1.00 0.00 C ATOM 1137 NH1 ARG A 76 9.521 2.643 1.757 1.00 0.00 N ATOM 1138 NH2 ARG A 76 10.615 4.431 2.688 1.00 0.00 N ATOM 0 H ARG A 76 10.029 3.932 -4.529 1.00 0.00 H new ATOM 0 HA ARG A 76 8.496 4.829 -2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.447 4.277 -2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.832 5.006 -1.188 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.317 2.922 -0.980 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.314 2.209 -2.232 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.128 1.570 0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.332 2.514 -0.852 1.00 0.00 H new ATOM 0 HE ARG A 76 12.132 4.214 0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.434 1.947 1.016 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.850 2.657 2.525 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.372 5.114 2.666 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.941 4.441 3.454 1.00 0.00 H new ATOM 1152 N LYS A 77 8.573 7.148 -3.196 1.00 0.00 N ATOM 1153 CA LYS A 77 8.680 8.573 -3.490 1.00 0.00 C ATOM 1154 C LYS A 77 9.352 8.801 -4.840 1.00 0.00 C ATOM 1155 O LYS A 77 10.552 8.575 -4.993 1.00 0.00 O ATOM 1156 CB LYS A 77 9.467 9.285 -2.389 1.00 0.00 C ATOM 1157 CG LYS A 77 9.580 10.787 -2.596 1.00 0.00 C ATOM 1158 CD LYS A 77 9.730 11.524 -1.274 1.00 0.00 C ATOM 1159 CE LYS A 77 8.461 12.276 -0.906 1.00 0.00 C ATOM 1160 NZ LYS A 77 7.635 11.523 0.078 1.00 0.00 N ATOM 0 H LYS A 77 7.617 6.812 -3.079 1.00 0.00 H new ATOM 0 HA LYS A 77 7.672 8.986 -3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.987 9.094 -1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.468 8.858 -2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.437 11.004 -3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.695 11.151 -3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.973 10.812 -0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.563 12.224 -1.339 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.723 13.249 -0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.875 12.461 -1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.131 12.193 0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.945 10.932 -0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.251 10.917 0.657 1.00 0.00 H new