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 19 ASN : amide:sc= -1.05 X(o=-1.1,f=-1!) USER MOD Set 1.2: A 20 LYS NZ :NH3+ -131:sc= -0.0149 (180deg=-0.152) USER MOD Single : A 17 ASN : amide:sc= -1.24 K(o=-1.2,f=-5.1!) USER MOD Single : A 25 GLN : amide:sc= -0.0878 K(o=-0.088,f=-1.3!) USER MOD Single : A 30 THR OG1 : rot -80:sc= 1.04 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.21) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -173:sc= -1.17 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot 73:sc= -0.83 USER MOD Single : A 65 LYS NZ :NH3+ 179:sc= 0.718 (180deg=0.705) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.189 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 180:sc= -0.294 USER MOD Single : A 77 LYS NZ :NH3+ 145:sc= -0.179 (180deg=-0.745) USER MOD ----------------------------------------------------------------- ATOM 68 N PHE A 8 6.257 -3.981 0.553 1.00 0.00 N ATOM 69 CA PHE A 8 6.337 -2.827 1.441 1.00 0.00 C ATOM 70 C PHE A 8 5.763 -3.155 2.815 1.00 0.00 C ATOM 71 O PHE A 8 5.151 -4.206 3.008 1.00 0.00 O ATOM 72 CB PHE A 8 5.590 -1.637 0.836 1.00 0.00 C ATOM 73 CG PHE A 8 6.396 -0.875 -0.178 1.00 0.00 C ATOM 74 CD1 PHE A 8 6.629 -1.406 -1.438 1.00 0.00 C ATOM 75 CD2 PHE A 8 6.918 0.370 0.127 1.00 0.00 C ATOM 76 CE1 PHE A 8 7.369 -0.707 -2.372 1.00 0.00 C ATOM 77 CE2 PHE A 8 7.660 1.074 -0.804 1.00 0.00 C ATOM 78 CZ PHE A 8 7.885 0.535 -2.055 1.00 0.00 C ATOM 0 HA PHE A 8 7.389 -2.566 1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.674 -1.994 0.366 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.294 -0.959 1.637 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.228 -2.376 -1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.744 0.797 1.104 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.544 -1.131 -3.350 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.063 2.044 -0.553 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.463 1.083 -2.784 1.00 0.00 H new ATOM 88 N ARG A 9 5.965 -2.250 3.768 1.00 0.00 N ATOM 89 CA ARG A 9 5.466 -2.445 5.124 1.00 0.00 C ATOM 90 C ARG A 9 4.114 -1.763 5.310 1.00 0.00 C ATOM 91 O ARG A 9 3.571 -1.174 4.376 1.00 0.00 O ATOM 92 CB ARG A 9 6.470 -1.898 6.142 1.00 0.00 C ATOM 93 CG ARG A 9 7.721 -2.749 6.279 1.00 0.00 C ATOM 94 CD ARG A 9 8.875 -2.181 5.469 1.00 0.00 C ATOM 95 NE ARG A 9 9.835 -3.212 5.084 1.00 0.00 N ATOM 96 CZ ARG A 9 10.741 -3.728 5.911 1.00 0.00 C ATOM 97 NH1 ARG A 9 10.816 -3.310 7.169 1.00 0.00 N ATOM 98 NH2 ARG A 9 11.577 -4.663 5.480 1.00 0.00 N ATOM 0 H ARG A 9 6.470 -1.375 3.626 1.00 0.00 H new ATOM 0 HA ARG A 9 5.338 -3.515 5.287 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.758 -0.888 5.850 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.984 -1.822 7.115 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.008 -2.809 7.329 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.509 -3.765 5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.485 -1.697 4.574 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.383 -1.413 6.052 1.00 0.00 H new ATOM 0 HE ARG A 9 9.810 -3.557 4.124 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.177 -2.590 7.506 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.512 -3.709 7.798 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.526 -4.987 4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.271 -5.058 6.114 1.00 0.00 H new ATOM 112 N VAL A 10 3.576 -1.847 6.522 1.00 0.00 N ATOM 113 CA VAL A 10 2.287 -1.239 6.831 1.00 0.00 C ATOM 114 C VAL A 10 2.467 0.130 7.480 1.00 0.00 C ATOM 115 O VAL A 10 3.266 0.289 8.403 1.00 0.00 O ATOM 116 CB VAL A 10 1.453 -2.132 7.766 1.00 0.00 C ATOM 117 CG1 VAL A 10 0.043 -1.581 7.916 1.00 0.00 C ATOM 118 CG2 VAL A 10 1.423 -3.564 7.252 1.00 0.00 C ATOM 0 H VAL A 10 4.013 -2.330 7.307 1.00 0.00 H new ATOM 0 HA VAL A 10 1.757 -1.124 5.885 1.00 0.00 H new ATOM 0 HB VAL A 10 1.923 -2.134 8.750 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.531 -2.226 8.581 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.088 -0.576 8.335 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.440 -1.545 6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.829 -4.180 7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.980 -3.584 6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.439 -3.955 7.204 1.00 0.00 H new ATOM 128 N GLY A 11 1.719 1.113 6.991 1.00 0.00 N ATOM 129 CA GLY A 11 1.811 2.455 7.536 1.00 0.00 C ATOM 130 C GLY A 11 2.699 3.359 6.705 1.00 0.00 C ATOM 131 O GLY A 11 2.505 4.575 6.676 1.00 0.00 O ATOM 0 H GLY A 11 1.051 1.005 6.228 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.813 2.888 7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.199 2.405 8.553 1.00 0.00 H new ATOM 135 N GLU A 12 3.676 2.765 6.028 1.00 0.00 N ATOM 136 CA GLU A 12 4.598 3.527 5.192 1.00 0.00 C ATOM 137 C GLU A 12 3.892 4.063 3.950 1.00 0.00 C ATOM 138 O GLU A 12 2.832 3.568 3.565 1.00 0.00 O ATOM 139 CB GLU A 12 5.784 2.652 4.778 1.00 0.00 C ATOM 140 CG GLU A 12 6.586 2.120 5.955 1.00 0.00 C ATOM 141 CD GLU A 12 8.084 2.238 5.742 1.00 0.00 C ATOM 142 OE1 GLU A 12 8.513 3.197 5.067 1.00 0.00 O ATOM 143 OE2 GLU A 12 8.825 1.371 6.248 1.00 0.00 O ATOM 0 H GLU A 12 3.850 1.760 6.041 1.00 0.00 H new ATOM 0 HA GLU A 12 4.962 4.373 5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.417 1.811 4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.444 3.230 4.131 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.307 2.666 6.856 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.328 1.074 6.123 1.00 0.00 H new ATOM 150 N ARG A 13 4.484 5.077 3.331 1.00 0.00 N ATOM 151 CA ARG A 13 3.912 5.681 2.133 1.00 0.00 C ATOM 152 C ARG A 13 4.504 5.056 0.873 1.00 0.00 C ATOM 153 O ARG A 13 5.655 4.619 0.866 1.00 0.00 O ATOM 154 CB ARG A 13 4.157 7.190 2.130 1.00 0.00 C ATOM 155 CG ARG A 13 3.105 7.977 1.365 1.00 0.00 C ATOM 156 CD ARG A 13 2.078 8.592 2.301 1.00 0.00 C ATOM 157 NE ARG A 13 1.221 9.556 1.616 1.00 0.00 N ATOM 158 CZ ARG A 13 1.600 10.793 1.302 1.00 0.00 C ATOM 159 NH1 ARG A 13 2.819 11.219 1.608 1.00 0.00 N ATOM 160 NH2 ARG A 13 0.758 11.606 0.678 1.00 0.00 N ATOM 0 H ARG A 13 5.360 5.499 3.639 1.00 0.00 H new ATOM 0 HA ARG A 13 2.838 5.494 2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.188 7.546 3.160 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.136 7.390 1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.588 8.764 0.786 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.603 7.320 0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.463 7.803 2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.590 9.085 3.127 1.00 0.00 H new ATOM 0 HE ARG A 13 0.277 9.264 1.363 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.471 10.598 2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.104 12.168 1.365 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.180 11.283 0.439 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.048 12.554 0.437 1.00 0.00 H new ATOM 174 N VAL A 14 3.710 5.016 -0.191 1.00 0.00 N ATOM 175 CA VAL A 14 4.155 4.446 -1.456 1.00 0.00 C ATOM 176 C VAL A 14 3.671 5.280 -2.637 1.00 0.00 C ATOM 177 O VAL A 14 2.686 6.011 -2.532 1.00 0.00 O ATOM 178 CB VAL A 14 3.656 2.999 -1.627 1.00 0.00 C ATOM 179 CG1 VAL A 14 4.374 2.068 -0.662 1.00 0.00 C ATOM 180 CG2 VAL A 14 2.150 2.927 -1.427 1.00 0.00 C ATOM 0 H VAL A 14 2.754 5.372 -0.202 1.00 0.00 H new ATOM 0 HA VAL A 14 5.245 4.448 -1.436 1.00 0.00 H new ATOM 0 HB VAL A 14 3.881 2.675 -2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.008 1.050 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.446 2.097 -0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.183 2.388 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.815 1.897 -1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.899 3.271 -0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.655 3.561 -2.162 1.00 0.00 H new ATOM 190 N TRP A 15 4.371 5.166 -3.762 1.00 0.00 N ATOM 191 CA TRP A 15 4.014 5.910 -4.964 1.00 0.00 C ATOM 192 C TRP A 15 3.705 4.961 -6.118 1.00 0.00 C ATOM 193 O TRP A 15 4.613 4.445 -6.771 1.00 0.00 O ATOM 194 CB TRP A 15 5.147 6.861 -5.355 1.00 0.00 C ATOM 195 CG TRP A 15 4.806 8.306 -5.153 1.00 0.00 C ATOM 196 CD1 TRP A 15 4.349 9.179 -6.098 1.00 0.00 C ATOM 197 CD2 TRP A 15 4.896 9.046 -3.930 1.00 0.00 C ATOM 198 NE1 TRP A 15 4.149 10.418 -5.537 1.00 0.00 N ATOM 199 CE2 TRP A 15 4.477 10.361 -4.207 1.00 0.00 C ATOM 200 CE3 TRP A 15 5.289 8.724 -2.628 1.00 0.00 C ATOM 201 CZ2 TRP A 15 4.441 11.352 -3.230 1.00 0.00 C ATOM 202 CZ3 TRP A 15 5.251 9.710 -1.659 1.00 0.00 C ATOM 203 CH2 TRP A 15 4.830 11.010 -1.964 1.00 0.00 C ATOM 0 H TRP A 15 5.189 4.565 -3.866 1.00 0.00 H new ATOM 0 HA TRP A 15 3.119 6.494 -4.750 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.033 6.619 -4.769 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.403 6.698 -6.402 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.171 8.932 -7.134 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.812 11.245 -6.030 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.616 7.724 -2.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.117 12.356 -3.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.551 9.473 -0.649 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.812 11.757 -1.185 1.00 0.00 H new ATOM 214 N VAL A 16 2.419 4.736 -6.365 1.00 0.00 N ATOM 215 CA VAL A 16 1.991 3.850 -7.440 1.00 0.00 C ATOM 216 C VAL A 16 2.356 4.430 -8.804 1.00 0.00 C ATOM 217 O VAL A 16 1.942 5.535 -9.150 1.00 0.00 O ATOM 218 CB VAL A 16 0.471 3.596 -7.391 1.00 0.00 C ATOM 219 CG1 VAL A 16 0.069 2.552 -8.422 1.00 0.00 C ATOM 220 CG2 VAL A 16 0.045 3.168 -5.995 1.00 0.00 C ATOM 0 H VAL A 16 1.655 5.155 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 16 2.512 2.903 -7.297 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.041 4.527 -7.633 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.007 2.387 -8.372 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.336 2.903 -9.419 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.590 1.617 -8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.031 2.993 -5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.565 2.250 -5.721 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.295 3.953 -5.282 1.00 0.00 H new ATOM 230 N ASN A 17 3.136 3.675 -9.571 1.00 0.00 N ATOM 231 CA ASN A 17 3.558 4.113 -10.897 1.00 0.00 C ATOM 232 C ASN A 17 4.389 5.392 -10.815 1.00 0.00 C ATOM 233 O ASN A 17 4.528 6.115 -11.802 1.00 0.00 O ATOM 234 CB ASN A 17 2.341 4.340 -11.795 1.00 0.00 C ATOM 235 CG ASN A 17 1.563 3.063 -12.046 1.00 0.00 C ATOM 236 OD1 ASN A 17 1.499 2.182 -11.190 1.00 0.00 O ATOM 237 ND2 ASN A 17 0.963 2.959 -13.228 1.00 0.00 N ATOM 0 H ASN A 17 3.488 2.758 -9.298 1.00 0.00 H new ATOM 0 HA ASN A 17 4.178 3.327 -11.328 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.685 5.078 -11.333 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.668 4.756 -12.748 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.423 2.124 -13.454 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.043 3.715 -13.909 1.00 0.00 H new ATOM 244 N GLY A 18 4.942 5.665 -9.636 1.00 0.00 N ATOM 245 CA GLY A 18 5.752 6.855 -9.456 1.00 0.00 C ATOM 246 C GLY A 18 4.980 8.133 -9.725 1.00 0.00 C ATOM 247 O GLY A 18 5.527 9.093 -10.268 1.00 0.00 O ATOM 0 H GLY A 18 4.843 5.083 -8.804 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.138 6.876 -8.437 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.613 6.808 -10.123 1.00 0.00 H new ATOM 251 N ASN A 19 3.706 8.147 -9.343 1.00 0.00 N ATOM 252 CA ASN A 19 2.861 9.319 -9.547 1.00 0.00 C ATOM 253 C ASN A 19 1.506 9.139 -8.870 1.00 0.00 C ATOM 254 O ASN A 19 0.482 9.599 -9.377 1.00 0.00 O ATOM 255 CB ASN A 19 2.668 9.582 -11.041 1.00 0.00 C ATOM 256 CG ASN A 19 1.955 8.443 -11.744 1.00 0.00 C ATOM 257 OD1 ASN A 19 2.590 7.566 -12.330 1.00 0.00 O ATOM 258 ND2 ASN A 19 0.629 8.451 -11.690 1.00 0.00 N ATOM 0 H ASN A 19 3.237 7.362 -8.891 1.00 0.00 H new ATOM 0 HA ASN A 19 3.360 10.177 -9.096 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.097 10.501 -11.174 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.640 9.741 -11.507 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.096 7.710 -12.145 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.143 9.198 -11.193 1.00 0.00 H new ATOM 265 N LYS A 20 1.505 8.469 -7.723 1.00 0.00 N ATOM 266 CA LYS A 20 0.274 8.230 -6.978 1.00 0.00 C ATOM 267 C LYS A 20 0.575 7.852 -5.530 1.00 0.00 C ATOM 268 O LYS A 20 0.707 6.674 -5.202 1.00 0.00 O ATOM 269 CB LYS A 20 -0.541 7.122 -7.647 1.00 0.00 C ATOM 270 CG LYS A 20 -1.528 7.635 -8.684 1.00 0.00 C ATOM 271 CD LYS A 20 -2.557 6.577 -9.044 1.00 0.00 C ATOM 272 CE LYS A 20 -3.233 6.886 -10.369 1.00 0.00 C ATOM 273 NZ LYS A 20 -2.322 6.662 -11.524 1.00 0.00 N ATOM 0 H LYS A 20 2.343 8.082 -7.289 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.306 9.153 -6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.141 6.418 -8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.085 6.570 -6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.034 8.520 -8.299 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.989 7.940 -9.581 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.073 5.602 -9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.308 6.516 -8.257 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.119 6.260 -10.479 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.572 7.922 -10.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.346 7.491 -12.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.352 6.517 -11.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.630 5.820 -12.051 1.00 0.00 H new ATOM 287 N PRO A 21 0.688 8.854 -4.639 1.00 0.00 N ATOM 288 CA PRO A 21 0.975 8.620 -3.221 1.00 0.00 C ATOM 289 C PRO A 21 -0.193 7.956 -2.497 1.00 0.00 C ATOM 290 O PRO A 21 -1.347 8.096 -2.902 1.00 0.00 O ATOM 291 CB PRO A 21 1.216 10.026 -2.667 1.00 0.00 C ATOM 292 CG PRO A 21 0.469 10.929 -3.587 1.00 0.00 C ATOM 293 CD PRO A 21 0.545 10.289 -4.946 1.00 0.00 C ATOM 0 HA PRO A 21 1.819 7.944 -3.083 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.853 10.116 -1.643 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.279 10.268 -2.651 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.567 11.043 -3.267 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.910 11.926 -3.600 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.351 10.487 -5.534 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.392 10.664 -5.520 1.00 0.00 H new ATOM 301 N GLY A 22 0.116 7.233 -1.425 1.00 0.00 N ATOM 302 CA GLY A 22 -0.918 6.559 -0.663 1.00 0.00 C ATOM 303 C GLY A 22 -0.370 5.858 0.565 1.00 0.00 C ATOM 304 O GLY A 22 0.759 5.366 0.554 1.00 0.00 O ATOM 0 H GLY A 22 1.064 7.102 -1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.671 7.285 -0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.418 5.830 -1.301 1.00 0.00 H new ATOM 308 N PHE A 23 -1.170 5.812 1.624 1.00 0.00 N ATOM 309 CA PHE A 23 -0.758 5.166 2.865 1.00 0.00 C ATOM 310 C PHE A 23 -1.146 3.692 2.867 1.00 0.00 C ATOM 311 O PHE A 23 -2.282 3.338 2.546 1.00 0.00 O ATOM 312 CB PHE A 23 -1.390 5.874 4.066 1.00 0.00 C ATOM 313 CG PHE A 23 -0.694 7.150 4.445 1.00 0.00 C ATOM 314 CD1 PHE A 23 -1.071 8.355 3.874 1.00 0.00 C ATOM 315 CD2 PHE A 23 0.337 7.143 5.371 1.00 0.00 C ATOM 316 CE1 PHE A 23 -0.432 9.530 4.220 1.00 0.00 C ATOM 317 CE2 PHE A 23 0.979 8.316 5.721 1.00 0.00 C ATOM 318 CZ PHE A 23 0.594 9.511 5.145 1.00 0.00 C ATOM 0 H PHE A 23 -2.107 6.214 1.648 1.00 0.00 H new ATOM 0 HA PHE A 23 0.327 5.236 2.939 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.434 6.092 3.841 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.383 5.198 4.921 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.873 8.376 3.151 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.642 6.211 5.824 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.734 10.463 3.768 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.781 8.298 6.444 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.094 10.429 5.417 1.00 0.00 H new ATOM 328 N ILE A 24 -0.197 2.835 3.230 1.00 0.00 N ATOM 329 CA ILE A 24 -0.440 1.399 3.274 1.00 0.00 C ATOM 330 C ILE A 24 -1.142 0.999 4.566 1.00 0.00 C ATOM 331 O ILE A 24 -0.670 1.306 5.661 1.00 0.00 O ATOM 332 CB ILE A 24 0.874 0.603 3.150 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.699 1.120 1.970 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.582 -0.880 2.990 1.00 0.00 C ATOM 335 CD1 ILE A 24 3.049 0.450 1.836 1.00 0.00 C ATOM 0 H ILE A 24 0.748 3.111 3.498 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.082 1.161 2.426 1.00 0.00 H new ATOM 0 HB ILE A 24 1.453 0.742 4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.135 0.970 1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.845 2.194 2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.520 -1.428 2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.031 -1.238 3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.015 -1.038 2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.578 0.866 0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.632 0.622 2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.911 -0.622 1.692 1.00 0.00 H new ATOM 347 N GLN A 25 -2.272 0.312 4.433 1.00 0.00 N ATOM 348 CA GLN A 25 -3.039 -0.131 5.591 1.00 0.00 C ATOM 349 C GLN A 25 -3.071 -1.653 5.674 1.00 0.00 C ATOM 350 O GLN A 25 -2.861 -2.231 6.740 1.00 0.00 O ATOM 351 CB GLN A 25 -4.466 0.417 5.522 1.00 0.00 C ATOM 352 CG GLN A 25 -4.571 1.890 5.888 1.00 0.00 C ATOM 353 CD GLN A 25 -4.671 2.113 7.383 1.00 0.00 C ATOM 354 OE1 GLN A 25 -5.249 1.303 8.108 1.00 0.00 O ATOM 355 NE2 GLN A 25 -4.105 3.218 7.855 1.00 0.00 N ATOM 0 H GLN A 25 -2.677 0.050 3.534 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.551 0.253 6.487 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.853 0.273 4.513 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.101 -0.162 6.193 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.699 2.419 5.503 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.446 2.320 5.401 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.636 3.863 7.219 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.139 3.422 8.854 1.00 0.00 H new ATOM 364 N PHE A 26 -3.334 -2.297 4.540 1.00 0.00 N ATOM 365 CA PHE A 26 -3.393 -3.753 4.484 1.00 0.00 C ATOM 366 C PHE A 26 -2.333 -4.303 3.535 1.00 0.00 C ATOM 367 O PHE A 26 -1.940 -3.640 2.575 1.00 0.00 O ATOM 368 CB PHE A 26 -4.782 -4.211 4.039 1.00 0.00 C ATOM 369 CG PHE A 26 -5.096 -5.631 4.415 1.00 0.00 C ATOM 370 CD1 PHE A 26 -5.423 -5.959 5.720 1.00 0.00 C ATOM 371 CD2 PHE A 26 -5.063 -6.637 3.463 1.00 0.00 C ATOM 372 CE1 PHE A 26 -5.712 -7.265 6.070 1.00 0.00 C ATOM 373 CE2 PHE A 26 -5.350 -7.944 3.805 1.00 0.00 C ATOM 374 CZ PHE A 26 -5.676 -8.258 5.111 1.00 0.00 C ATOM 0 H PHE A 26 -3.509 -1.833 3.649 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.195 -4.140 5.484 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.531 -3.553 4.480 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.861 -4.104 2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.453 -5.186 6.473 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.810 -6.396 2.441 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.965 -7.508 7.091 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.320 -8.719 3.054 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.902 -9.279 5.381 1.00 0.00 H new ATOM 384 N LEU A 27 -1.876 -5.521 3.808 1.00 0.00 N ATOM 385 CA LEU A 27 -0.862 -6.161 2.979 1.00 0.00 C ATOM 386 C LEU A 27 -1.005 -7.679 3.019 1.00 0.00 C ATOM 387 O LEU A 27 -0.586 -8.327 3.977 1.00 0.00 O ATOM 388 CB LEU A 27 0.538 -5.756 3.443 1.00 0.00 C ATOM 389 CG LEU A 27 0.908 -4.294 3.187 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.237 -3.957 3.844 1.00 0.00 C ATOM 391 CD2 LEU A 27 0.963 -4.014 1.693 1.00 0.00 C ATOM 0 H LEU A 27 -2.192 -6.084 4.597 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.006 -5.828 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.621 -5.954 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.268 -6.392 2.943 1.00 0.00 H new ATOM 0 HG LEU A 27 0.138 -3.661 3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.484 -2.913 3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.163 -4.120 4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.018 -4.596 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.228 -2.970 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.713 -4.656 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.012 -4.216 1.249 1.00 0.00 H new ATOM 403 N GLY A 28 -1.601 -8.241 1.972 1.00 0.00 N ATOM 404 CA GLY A 28 -1.788 -9.678 1.907 1.00 0.00 C ATOM 405 C GLY A 28 -2.690 -10.094 0.762 1.00 0.00 C ATOM 406 O GLY A 28 -3.237 -9.249 0.054 1.00 0.00 O ATOM 0 H GLY A 28 -1.958 -7.726 1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.818 -10.163 1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.214 -10.029 2.847 1.00 0.00 H new ATOM 410 N GLU A 29 -2.845 -11.402 0.579 1.00 0.00 N ATOM 411 CA GLU A 29 -3.687 -11.929 -0.489 1.00 0.00 C ATOM 412 C GLU A 29 -5.153 -11.591 -0.242 1.00 0.00 C ATOM 413 O GLU A 29 -5.557 -11.321 0.889 1.00 0.00 O ATOM 414 CB GLU A 29 -3.512 -13.444 -0.604 1.00 0.00 C ATOM 415 CG GLU A 29 -3.813 -14.190 0.686 1.00 0.00 C ATOM 416 CD GLU A 29 -5.233 -14.721 0.734 1.00 0.00 C ATOM 417 OE1 GLU A 29 -5.461 -15.850 0.251 1.00 0.00 O ATOM 418 OE2 GLU A 29 -6.115 -14.009 1.257 1.00 0.00 O ATOM 0 H GLU A 29 -2.399 -12.115 1.156 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.379 -11.463 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.166 -13.818 -1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.488 -13.661 -0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.115 -15.020 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.649 -13.524 1.533 1.00 0.00 H new ATOM 425 N THR A 30 -5.947 -11.610 -1.308 1.00 0.00 N ATOM 426 CA THR A 30 -7.370 -11.306 -1.208 1.00 0.00 C ATOM 427 C THR A 30 -8.212 -12.528 -1.555 1.00 0.00 C ATOM 428 O THR A 30 -7.681 -13.594 -1.865 1.00 0.00 O ATOM 429 CB THR A 30 -7.731 -10.143 -2.134 1.00 0.00 C ATOM 430 OG1 THR A 30 -7.205 -10.355 -3.432 1.00 0.00 O ATOM 431 CG2 THR A 30 -7.219 -8.806 -1.643 1.00 0.00 C ATOM 0 H THR A 30 -5.629 -11.833 -2.251 1.00 0.00 H new ATOM 0 HA THR A 30 -7.584 -11.020 -0.178 1.00 0.00 H new ATOM 0 HB THR A 30 -8.820 -10.112 -2.149 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.256 -10.110 -3.445 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.509 -8.025 -2.346 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.646 -8.590 -0.664 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.132 -8.839 -1.566 1.00 0.00 H new ATOM 439 N GLN A 31 -9.530 -12.366 -1.500 1.00 0.00 N ATOM 440 CA GLN A 31 -10.448 -13.457 -1.809 1.00 0.00 C ATOM 441 C GLN A 31 -10.946 -13.360 -3.248 1.00 0.00 C ATOM 442 O GLN A 31 -11.231 -14.373 -3.887 1.00 0.00 O ATOM 443 CB GLN A 31 -11.635 -13.441 -0.845 1.00 0.00 C ATOM 444 CG GLN A 31 -11.296 -13.950 0.547 1.00 0.00 C ATOM 445 CD GLN A 31 -12.146 -13.308 1.626 1.00 0.00 C ATOM 446 OE1 GLN A 31 -13.373 -13.276 1.529 1.00 0.00 O ATOM 447 NE2 GLN A 31 -11.496 -12.792 2.662 1.00 0.00 N ATOM 0 H GLN A 31 -9.986 -11.490 -1.244 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.907 -14.396 -1.694 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.016 -12.423 -0.768 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.438 -14.051 -1.260 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.432 -15.031 0.578 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.244 -13.755 0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.478 -12.841 2.701 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.015 -12.347 3.419 1.00 0.00 H new ATOM 456 N PHE A 32 -11.048 -12.133 -3.752 1.00 0.00 N ATOM 457 CA PHE A 32 -11.512 -11.904 -5.115 1.00 0.00 C ATOM 458 C PHE A 32 -10.446 -12.308 -6.129 1.00 0.00 C ATOM 459 O PHE A 32 -10.763 -12.714 -7.248 1.00 0.00 O ATOM 460 CB PHE A 32 -11.889 -10.434 -5.309 1.00 0.00 C ATOM 461 CG PHE A 32 -10.759 -9.482 -5.044 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.894 -9.112 -6.061 1.00 0.00 C ATOM 463 CD2 PHE A 32 -10.561 -8.958 -3.777 1.00 0.00 C ATOM 464 CE1 PHE A 32 -8.852 -8.236 -5.819 1.00 0.00 C ATOM 465 CE2 PHE A 32 -9.522 -8.080 -3.529 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.666 -7.719 -4.552 1.00 0.00 C ATOM 0 H PHE A 32 -10.816 -11.284 -3.237 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.395 -12.522 -5.279 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.242 -10.290 -6.330 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.720 -10.191 -4.647 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.035 -9.512 -7.054 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.226 -9.239 -2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.184 -7.956 -6.620 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.380 -7.677 -2.537 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.853 -7.034 -4.361 1.00 0.00 H new ATOM 476 N ALA A 33 -9.182 -12.195 -5.733 1.00 0.00 N ATOM 477 CA ALA A 33 -8.073 -12.550 -6.609 1.00 0.00 C ATOM 478 C ALA A 33 -6.909 -13.137 -5.812 1.00 0.00 C ATOM 479 O ALA A 33 -6.482 -12.561 -4.812 1.00 0.00 O ATOM 480 CB ALA A 33 -7.613 -11.330 -7.394 1.00 0.00 C ATOM 0 H ALA A 33 -8.901 -11.860 -4.811 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.422 -13.311 -7.307 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.784 -11.608 -8.045 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.439 -10.954 -7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.287 -10.554 -6.702 1.00 0.00 H new ATOM 486 N PRO A 34 -6.375 -14.296 -6.243 1.00 0.00 N ATOM 487 CA PRO A 34 -5.256 -14.950 -5.556 1.00 0.00 C ATOM 488 C PRO A 34 -4.044 -14.033 -5.422 1.00 0.00 C ATOM 489 O PRO A 34 -4.147 -12.821 -5.608 1.00 0.00 O ATOM 490 CB PRO A 34 -4.923 -16.143 -6.458 1.00 0.00 C ATOM 491 CG PRO A 34 -6.169 -16.399 -7.232 1.00 0.00 C ATOM 492 CD PRO A 34 -6.817 -15.059 -7.426 1.00 0.00 C ATOM 0 HA PRO A 34 -5.518 -15.232 -4.536 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -4.087 -15.917 -7.119 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.637 -17.015 -5.870 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.944 -16.866 -8.191 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.830 -17.078 -6.694 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.494 -14.586 -8.354 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.903 -15.140 -7.470 1.00 0.00 H new ATOM 500 N GLY A 35 -2.897 -14.623 -5.100 1.00 0.00 N ATOM 501 CA GLY A 35 -1.681 -13.845 -4.948 1.00 0.00 C ATOM 502 C GLY A 35 -1.773 -12.838 -3.819 1.00 0.00 C ATOM 503 O GLY A 35 -2.858 -12.572 -3.300 1.00 0.00 O ATOM 0 H GLY A 35 -2.788 -15.625 -4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.844 -14.518 -4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.469 -13.322 -5.881 1.00 0.00 H new ATOM 507 N GLN A 36 -0.631 -12.276 -3.436 1.00 0.00 N ATOM 508 CA GLN A 36 -0.586 -11.292 -2.360 1.00 0.00 C ATOM 509 C GLN A 36 -0.751 -9.878 -2.908 1.00 0.00 C ATOM 510 O GLN A 36 -0.013 -9.458 -3.800 1.00 0.00 O ATOM 511 CB GLN A 36 0.732 -11.407 -1.591 1.00 0.00 C ATOM 512 CG GLN A 36 0.604 -12.153 -0.273 1.00 0.00 C ATOM 513 CD GLN A 36 1.626 -13.263 -0.126 1.00 0.00 C ATOM 514 OE1 GLN A 36 2.826 -13.009 -0.028 1.00 0.00 O ATOM 515 NE2 GLN A 36 1.153 -14.504 -0.112 1.00 0.00 N ATOM 0 H GLN A 36 0.275 -12.485 -3.855 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.413 -11.495 -1.680 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.465 -11.916 -2.217 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.118 -10.406 -1.397 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.718 -11.448 0.551 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.398 -12.575 -0.195 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.150 -14.668 -0.196 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.793 -15.293 -0.017 1.00 0.00 H new ATOM 524 N TRP A 37 -1.722 -9.149 -2.369 1.00 0.00 N ATOM 525 CA TRP A 37 -1.983 -7.782 -2.805 1.00 0.00 C ATOM 526 C TRP A 37 -1.534 -6.780 -1.747 1.00 0.00 C ATOM 527 O TRP A 37 -1.043 -7.161 -0.685 1.00 0.00 O ATOM 528 CB TRP A 37 -3.473 -7.595 -3.102 1.00 0.00 C ATOM 529 CG TRP A 37 -3.956 -8.421 -4.255 1.00 0.00 C ATOM 530 CD1 TRP A 37 -4.247 -9.755 -4.242 1.00 0.00 C ATOM 531 CD2 TRP A 37 -4.205 -7.969 -5.590 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.661 -10.158 -5.488 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.645 -9.080 -6.333 1.00 0.00 C ATOM 534 CE3 TRP A 37 -4.099 -6.730 -6.231 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -4.978 -8.990 -7.682 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -4.430 -6.642 -7.570 1.00 0.00 C ATOM 537 CH2 TRP A 37 -4.865 -7.766 -8.283 1.00 0.00 C ATOM 0 H TRP A 37 -2.341 -9.482 -1.630 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.413 -7.602 -3.716 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.049 -7.853 -2.213 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.665 -6.543 -3.312 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -4.164 -10.399 -3.379 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.936 -11.107 -5.743 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.764 -5.858 -5.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.313 -9.855 -8.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.352 -5.690 -8.075 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.116 -7.665 -9.328 1.00 0.00 H new ATOM 548 N ALA A 38 -1.707 -5.496 -2.045 1.00 0.00 N ATOM 549 CA ALA A 38 -1.320 -4.439 -1.119 1.00 0.00 C ATOM 550 C ALA A 38 -2.373 -3.337 -1.073 1.00 0.00 C ATOM 551 O ALA A 38 -2.527 -2.571 -2.025 1.00 0.00 O ATOM 552 CB ALA A 38 0.033 -3.863 -1.511 1.00 0.00 C ATOM 0 H ALA A 38 -2.112 -5.163 -2.920 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.243 -4.873 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.309 -3.075 -0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.785 -4.651 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.025 -3.450 -2.518 1.00 0.00 H new ATOM 558 N GLY A 39 -3.094 -3.260 0.041 1.00 0.00 N ATOM 559 CA GLY A 39 -4.123 -2.249 0.189 1.00 0.00 C ATOM 560 C GLY A 39 -3.552 -0.886 0.533 1.00 0.00 C ATOM 561 O GLY A 39 -3.094 -0.664 1.654 1.00 0.00 O ATOM 0 H GLY A 39 -2.984 -3.880 0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.693 -2.177 -0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.819 -2.555 0.970 1.00 0.00 H new ATOM 565 N ILE A 40 -3.579 0.025 -0.433 1.00 0.00 N ATOM 566 CA ILE A 40 -3.060 1.372 -0.228 1.00 0.00 C ATOM 567 C ILE A 40 -4.193 2.386 -0.116 1.00 0.00 C ATOM 568 O ILE A 40 -5.299 2.153 -0.603 1.00 0.00 O ATOM 569 CB ILE A 40 -2.120 1.794 -1.374 1.00 0.00 C ATOM 570 CG1 ILE A 40 -1.083 0.702 -1.642 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.437 3.111 -1.042 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.406 0.830 -2.989 1.00 0.00 C ATOM 0 H ILE A 40 -3.955 -0.145 -1.366 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.497 1.355 0.705 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.714 1.933 -2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.325 0.732 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.568 -0.272 -1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.777 3.395 -1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.190 3.885 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.854 2.998 -0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.316 0.023 -3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.154 0.770 -3.779 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.108 1.789 -3.048 1.00 0.00 H new ATOM 584 N VAL A 41 -3.910 3.514 0.529 1.00 0.00 N ATOM 585 CA VAL A 41 -4.906 4.565 0.705 1.00 0.00 C ATOM 586 C VAL A 41 -4.445 5.869 0.065 1.00 0.00 C ATOM 587 O VAL A 41 -3.618 6.589 0.624 1.00 0.00 O ATOM 588 CB VAL A 41 -5.204 4.814 2.196 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.354 5.798 2.356 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.512 3.505 2.908 1.00 0.00 C ATOM 0 H VAL A 41 -2.999 3.723 0.938 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.817 4.224 0.214 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.316 5.250 2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.549 5.961 3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.090 6.745 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.248 5.394 1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.720 3.703 3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.382 3.037 2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.655 2.836 2.827 1.00 0.00 H new ATOM 600 N LEU A 42 -4.985 6.168 -1.113 1.00 0.00 N ATOM 601 CA LEU A 42 -4.628 7.387 -1.830 1.00 0.00 C ATOM 602 C LEU A 42 -5.097 8.624 -1.070 1.00 0.00 C ATOM 603 O LEU A 42 -5.901 8.526 -0.143 1.00 0.00 O ATOM 604 CB LEU A 42 -5.237 7.374 -3.233 1.00 0.00 C ATOM 605 CG LEU A 42 -4.993 6.094 -4.033 1.00 0.00 C ATOM 606 CD1 LEU A 42 -5.762 6.129 -5.345 1.00 0.00 C ATOM 607 CD2 LEU A 42 -3.507 5.901 -4.290 1.00 0.00 C ATOM 0 H LEU A 42 -5.671 5.583 -1.591 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.542 7.425 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.312 7.531 -3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.835 8.217 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.353 5.249 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.576 5.210 -5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.829 6.219 -5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.433 6.983 -5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.352 4.985 -4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.122 6.750 -4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.980 5.829 -3.339 1.00 0.00 H new ATOM 619 N ASP A 43 -4.590 9.785 -1.469 1.00 0.00 N ATOM 620 CA ASP A 43 -4.957 11.041 -0.826 1.00 0.00 C ATOM 621 C ASP A 43 -6.272 11.575 -1.386 1.00 0.00 C ATOM 622 O ASP A 43 -7.158 11.981 -0.635 1.00 0.00 O ATOM 623 CB ASP A 43 -3.849 12.079 -1.019 1.00 0.00 C ATOM 624 CG ASP A 43 -3.482 12.270 -2.476 1.00 0.00 C ATOM 625 OD1 ASP A 43 -2.855 11.356 -3.055 1.00 0.00 O ATOM 626 OD2 ASP A 43 -3.820 13.332 -3.040 1.00 0.00 O ATOM 0 H ASP A 43 -3.923 9.882 -2.235 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.087 10.851 0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.172 13.032 -0.601 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.964 11.770 -0.462 1.00 0.00 H new ATOM 631 N GLU A 44 -6.391 11.571 -2.709 1.00 0.00 N ATOM 632 CA GLU A 44 -7.598 12.053 -3.370 1.00 0.00 C ATOM 633 C GLU A 44 -8.396 10.894 -3.962 1.00 0.00 C ATOM 634 O GLU A 44 -7.880 9.786 -4.110 1.00 0.00 O ATOM 635 CB GLU A 44 -7.237 13.056 -4.469 1.00 0.00 C ATOM 636 CG GLU A 44 -7.466 14.505 -4.070 1.00 0.00 C ATOM 637 CD GLU A 44 -8.072 15.329 -5.190 1.00 0.00 C ATOM 638 OE1 GLU A 44 -7.306 15.820 -6.046 1.00 0.00 O ATOM 639 OE2 GLU A 44 -9.311 15.482 -5.211 1.00 0.00 O ATOM 0 H GLU A 44 -5.666 11.239 -3.345 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.217 12.551 -2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.190 12.924 -4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.827 12.835 -5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.124 14.539 -3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.517 14.950 -3.769 1.00 0.00 H new ATOM 646 N PRO A 45 -9.673 11.135 -4.308 1.00 0.00 N ATOM 647 CA PRO A 45 -10.542 10.105 -4.887 1.00 0.00 C ATOM 648 C PRO A 45 -10.138 9.741 -6.313 1.00 0.00 C ATOM 649 O PRO A 45 -10.904 9.938 -7.256 1.00 0.00 O ATOM 650 CB PRO A 45 -11.925 10.759 -4.871 1.00 0.00 C ATOM 651 CG PRO A 45 -11.652 12.222 -4.919 1.00 0.00 C ATOM 652 CD PRO A 45 -10.367 12.429 -4.166 1.00 0.00 C ATOM 0 HA PRO A 45 -10.493 9.169 -4.331 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.524 10.440 -5.724 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.480 10.489 -3.973 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.561 12.568 -5.949 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.466 12.786 -4.464 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.782 13.247 -4.587 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.550 12.674 -3.120 1.00 0.00 H new ATOM 660 N ILE A 46 -8.930 9.206 -6.461 1.00 0.00 N ATOM 661 CA ILE A 46 -8.424 8.813 -7.771 1.00 0.00 C ATOM 662 C ILE A 46 -8.084 7.327 -7.804 1.00 0.00 C ATOM 663 O ILE A 46 -7.180 6.903 -8.524 1.00 0.00 O ATOM 664 CB ILE A 46 -7.171 9.623 -8.155 1.00 0.00 C ATOM 665 CG1 ILE A 46 -6.126 9.548 -7.041 1.00 0.00 C ATOM 666 CG2 ILE A 46 -7.544 11.069 -8.443 1.00 0.00 C ATOM 667 CD1 ILE A 46 -4.705 9.453 -7.551 1.00 0.00 C ATOM 0 H ILE A 46 -8.284 9.035 -5.690 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.216 9.019 -8.492 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.741 9.192 -9.059 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.218 10.430 -6.408 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.337 8.682 -6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.649 11.629 -8.713 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.256 11.104 -9.268 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.995 11.512 -7.555 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.018 9.403 -6.706 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.596 8.556 -8.160 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.475 10.331 -8.154 1.00 0.00 H new ATOM 679 N GLY A 47 -8.815 6.541 -7.020 1.00 0.00 N ATOM 680 CA GLY A 47 -8.576 5.110 -6.976 1.00 0.00 C ATOM 681 C GLY A 47 -9.665 4.317 -7.672 1.00 0.00 C ATOM 682 O GLY A 47 -9.852 4.439 -8.883 1.00 0.00 O ATOM 0 H GLY A 47 -9.568 6.869 -6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.616 4.891 -7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.505 4.789 -5.937 1.00 0.00 H new ATOM 686 N LYS A 48 -10.383 3.504 -6.906 1.00 0.00 N ATOM 687 CA LYS A 48 -11.459 2.687 -7.456 1.00 0.00 C ATOM 688 C LYS A 48 -12.342 2.132 -6.342 1.00 0.00 C ATOM 689 O LYS A 48 -13.569 2.151 -6.442 1.00 0.00 O ATOM 690 CB LYS A 48 -10.882 1.541 -8.290 1.00 0.00 C ATOM 691 CG LYS A 48 -11.197 1.652 -9.774 1.00 0.00 C ATOM 692 CD LYS A 48 -12.089 0.515 -10.245 1.00 0.00 C ATOM 693 CE LYS A 48 -11.753 0.093 -11.666 1.00 0.00 C ATOM 694 NZ LYS A 48 -12.104 -1.331 -11.921 1.00 0.00 N ATOM 0 H LYS A 48 -10.240 3.393 -5.902 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.072 3.319 -8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.800 1.514 -8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.273 0.596 -7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.687 2.605 -9.972 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.268 1.647 -10.345 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.977 -0.338 -9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.133 0.825 -10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.288 0.730 -12.370 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.689 0.242 -11.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.859 -1.579 -12.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.574 -1.942 -11.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.124 -1.469 -11.774 1.00 0.00 H new ATOM 708 N ASN A 49 -11.710 1.640 -5.283 1.00 0.00 N ATOM 709 CA ASN A 49 -12.438 1.078 -4.151 1.00 0.00 C ATOM 710 C ASN A 49 -12.426 2.040 -2.967 1.00 0.00 C ATOM 711 O ASN A 49 -11.861 3.130 -3.044 1.00 0.00 O ATOM 712 CB ASN A 49 -11.828 -0.263 -3.741 1.00 0.00 C ATOM 713 CG ASN A 49 -12.319 -1.410 -4.602 1.00 0.00 C ATOM 714 OD1 ASN A 49 -13.523 -1.624 -4.743 1.00 0.00 O ATOM 715 ND2 ASN A 49 -11.386 -2.155 -5.185 1.00 0.00 N ATOM 0 H ASN A 49 -10.695 1.619 -5.184 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.472 0.919 -4.457 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.742 -0.201 -3.809 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.071 -0.466 -2.698 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.657 -2.940 -5.777 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.399 -1.942 -5.041 1.00 0.00 H new ATOM 722 N ASP A 50 -13.053 1.626 -1.870 1.00 0.00 N ATOM 723 CA ASP A 50 -13.115 2.450 -0.668 1.00 0.00 C ATOM 724 C ASP A 50 -12.802 1.623 0.575 1.00 0.00 C ATOM 725 O ASP A 50 -13.364 1.855 1.645 1.00 0.00 O ATOM 726 CB ASP A 50 -14.498 3.091 -0.534 1.00 0.00 C ATOM 727 CG ASP A 50 -15.615 2.067 -0.568 1.00 0.00 C ATOM 728 OD1 ASP A 50 -15.769 1.390 -1.607 1.00 0.00 O ATOM 729 OD2 ASP A 50 -16.335 1.940 0.445 1.00 0.00 O ATOM 0 H ASP A 50 -13.525 0.725 -1.789 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.365 3.236 -0.758 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.548 3.648 0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.642 3.809 -1.341 1.00 0.00 H new ATOM 734 N GLY A 51 -11.902 0.656 0.425 1.00 0.00 N ATOM 735 CA GLY A 51 -11.531 -0.190 1.543 1.00 0.00 C ATOM 736 C GLY A 51 -12.173 -1.562 1.470 1.00 0.00 C ATOM 737 O GLY A 51 -11.609 -2.545 1.950 1.00 0.00 O ATOM 0 H GLY A 51 -11.424 0.444 -0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.447 -0.300 1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.823 0.295 2.474 1.00 0.00 H new ATOM 741 N SER A 52 -13.357 -1.627 0.870 1.00 0.00 N ATOM 742 CA SER A 52 -14.078 -2.889 0.737 1.00 0.00 C ATOM 743 C SER A 52 -14.189 -3.299 -0.728 1.00 0.00 C ATOM 744 O SER A 52 -14.387 -2.460 -1.605 1.00 0.00 O ATOM 745 CB SER A 52 -15.473 -2.769 1.353 1.00 0.00 C ATOM 746 OG SER A 52 -15.454 -1.945 2.506 1.00 0.00 O ATOM 0 H SER A 52 -13.838 -0.822 0.468 1.00 0.00 H new ATOM 0 HA SER A 52 -13.518 -3.658 1.269 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.164 -2.355 0.618 1.00 0.00 H new ATOM 0 HB3 SER A 52 -15.844 -3.760 1.617 1.00 0.00 H new ATOM 0 HG SER A 52 -16.358 -1.884 2.879 1.00 0.00 H new ATOM 752 N VAL A 53 -14.060 -4.597 -0.983 1.00 0.00 N ATOM 753 CA VAL A 53 -14.147 -5.120 -2.341 1.00 0.00 C ATOM 754 C VAL A 53 -15.172 -6.247 -2.431 1.00 0.00 C ATOM 755 O VAL A 53 -14.919 -7.367 -1.987 1.00 0.00 O ATOM 756 CB VAL A 53 -12.783 -5.643 -2.830 1.00 0.00 C ATOM 757 CG1 VAL A 53 -12.845 -5.998 -4.308 1.00 0.00 C ATOM 758 CG2 VAL A 53 -11.692 -4.618 -2.565 1.00 0.00 C ATOM 0 H VAL A 53 -13.895 -5.305 -0.268 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.461 -4.294 -2.979 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.541 -6.548 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.872 -6.365 -4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.597 -6.772 -4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.110 -5.112 -4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.736 -5.005 -2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.926 -3.693 -3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.631 -4.420 -1.495 1.00 0.00 H new ATOM 768 N ALA A 54 -16.329 -5.942 -3.011 1.00 0.00 N ATOM 769 CA ALA A 54 -17.392 -6.928 -3.159 1.00 0.00 C ATOM 770 C ALA A 54 -17.852 -7.449 -1.801 1.00 0.00 C ATOM 771 O ALA A 54 -18.275 -8.598 -1.677 1.00 0.00 O ATOM 772 CB ALA A 54 -16.924 -8.080 -4.036 1.00 0.00 C ATOM 0 H ALA A 54 -16.553 -5.020 -3.386 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.241 -6.441 -3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.728 -8.809 -4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.651 -7.700 -5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -16.057 -8.557 -3.578 1.00 0.00 H new ATOM 778 N GLY A 55 -17.766 -6.595 -0.787 1.00 0.00 N ATOM 779 CA GLY A 55 -18.177 -6.986 0.549 1.00 0.00 C ATOM 780 C GLY A 55 -16.998 -7.270 1.460 1.00 0.00 C ATOM 781 O GLY A 55 -17.092 -7.107 2.676 1.00 0.00 O ATOM 0 H GLY A 55 -17.419 -5.639 -0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.786 -6.194 0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.806 -7.874 0.487 1.00 0.00 H new ATOM 785 N VAL A 56 -15.887 -7.698 0.870 1.00 0.00 N ATOM 786 CA VAL A 56 -14.686 -8.006 1.636 1.00 0.00 C ATOM 787 C VAL A 56 -14.011 -6.733 2.137 1.00 0.00 C ATOM 788 O VAL A 56 -13.385 -6.006 1.367 1.00 0.00 O ATOM 789 CB VAL A 56 -13.675 -8.811 0.798 1.00 0.00 C ATOM 790 CG1 VAL A 56 -12.524 -9.295 1.667 1.00 0.00 C ATOM 791 CG2 VAL A 56 -14.364 -9.983 0.112 1.00 0.00 C ATOM 0 H VAL A 56 -15.794 -7.839 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.002 -8.608 2.488 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.267 -8.156 0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.821 -9.862 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.014 -8.438 2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.911 -9.933 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.635 -10.541 -0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -14.802 -10.639 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.150 -9.609 -0.545 1.00 0.00 H new ATOM 801 N ARG A 57 -14.145 -6.471 3.433 1.00 0.00 N ATOM 802 CA ARG A 57 -13.550 -5.286 4.039 1.00 0.00 C ATOM 803 C ARG A 57 -12.133 -5.577 4.527 1.00 0.00 C ATOM 804 O ARG A 57 -11.927 -6.434 5.386 1.00 0.00 O ATOM 805 CB ARG A 57 -14.413 -4.796 5.202 1.00 0.00 C ATOM 806 CG ARG A 57 -14.109 -3.368 5.627 1.00 0.00 C ATOM 807 CD ARG A 57 -14.818 -3.008 6.923 1.00 0.00 C ATOM 808 NE ARG A 57 -16.098 -2.344 6.681 1.00 0.00 N ATOM 809 CZ ARG A 57 -17.244 -2.989 6.469 1.00 0.00 C ATOM 810 NH1 ARG A 57 -17.280 -4.315 6.469 1.00 0.00 N ATOM 811 NH2 ARG A 57 -18.358 -2.303 6.256 1.00 0.00 N ATOM 0 H ARG A 57 -14.661 -7.064 4.084 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.499 -4.506 3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.463 -4.866 4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.268 -5.459 6.055 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.033 -3.247 5.754 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.417 -2.680 4.840 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.984 -3.912 7.509 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.178 -2.356 7.517 1.00 0.00 H new ATOM 0 HE ARG A 57 -16.114 -1.324 6.674 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -16.426 -4.848 6.632 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.162 -4.801 6.306 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -18.337 -1.283 6.255 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -19.237 -2.795 6.093 1.00 0.00 H new ATOM 825 N TYR A 58 -11.163 -4.858 3.973 1.00 0.00 N ATOM 826 CA TYR A 58 -9.766 -5.040 4.352 1.00 0.00 C ATOM 827 C TYR A 58 -9.293 -3.901 5.250 1.00 0.00 C ATOM 828 O TYR A 58 -8.561 -4.121 6.215 1.00 0.00 O ATOM 829 CB TYR A 58 -8.883 -5.121 3.105 1.00 0.00 C ATOM 830 CG TYR A 58 -9.215 -6.289 2.203 1.00 0.00 C ATOM 831 CD1 TYR A 58 -8.966 -7.594 2.606 1.00 0.00 C ATOM 832 CD2 TYR A 58 -9.778 -6.084 0.949 1.00 0.00 C ATOM 833 CE1 TYR A 58 -9.267 -8.664 1.784 1.00 0.00 C ATOM 834 CE2 TYR A 58 -10.082 -7.149 0.123 1.00 0.00 C ATOM 835 CZ TYR A 58 -9.826 -8.436 0.545 1.00 0.00 C ATOM 836 OH TYR A 58 -10.128 -9.498 -0.277 1.00 0.00 O ATOM 0 H TYR A 58 -11.318 -4.144 3.261 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.686 -5.975 4.907 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.983 -4.195 2.538 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.840 -5.195 3.413 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.530 -7.776 3.577 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.981 -5.077 0.615 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.065 -9.673 2.111 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.518 -6.974 -0.849 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.411 -9.163 -1.153 1.00 0.00 H new ATOM 846 N PHE A 59 -9.715 -2.684 4.926 1.00 0.00 N ATOM 847 CA PHE A 59 -9.334 -1.511 5.702 1.00 0.00 C ATOM 848 C PHE A 59 -10.365 -0.398 5.548 1.00 0.00 C ATOM 849 O PHE A 59 -11.292 -0.504 4.746 1.00 0.00 O ATOM 850 CB PHE A 59 -7.956 -1.011 5.264 1.00 0.00 C ATOM 851 CG PHE A 59 -7.849 -0.766 3.786 1.00 0.00 C ATOM 852 CD1 PHE A 59 -8.273 0.433 3.237 1.00 0.00 C ATOM 853 CD2 PHE A 59 -7.323 -1.736 2.948 1.00 0.00 C ATOM 854 CE1 PHE A 59 -8.176 0.660 1.877 1.00 0.00 C ATOM 855 CE2 PHE A 59 -7.224 -1.515 1.587 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.650 -0.315 1.051 1.00 0.00 C ATOM 0 H PHE A 59 -10.322 -2.484 4.131 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.292 -1.798 6.753 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.728 -0.087 5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.203 -1.742 5.559 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.684 1.199 3.878 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.987 -2.675 3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.511 1.598 1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.814 -2.279 0.944 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.572 -0.139 -0.012 1.00 0.00 H new ATOM 866 N GLN A 60 -10.196 0.670 6.321 1.00 0.00 N ATOM 867 CA GLN A 60 -11.112 1.804 6.271 1.00 0.00 C ATOM 868 C GLN A 60 -10.455 3.006 5.601 1.00 0.00 C ATOM 869 O GLN A 60 -9.263 3.255 5.784 1.00 0.00 O ATOM 870 CB GLN A 60 -11.571 2.179 7.681 1.00 0.00 C ATOM 871 CG GLN A 60 -12.721 3.172 7.703 1.00 0.00 C ATOM 872 CD GLN A 60 -14.077 2.494 7.726 1.00 0.00 C ATOM 873 OE1 GLN A 60 -14.510 1.981 8.759 1.00 0.00 O ATOM 874 NE2 GLN A 60 -14.754 2.486 6.584 1.00 0.00 N ATOM 0 H GLN A 60 -9.433 0.774 6.990 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.980 1.511 5.680 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.873 1.274 8.208 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.728 2.600 8.228 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.625 3.814 8.579 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.656 3.817 6.827 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.357 2.923 5.753 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.671 2.043 6.538 1.00 0.00 H new ATOM 883 N CYS A 61 -11.238 3.746 4.824 1.00 0.00 N ATOM 884 CA CYS A 61 -10.731 4.922 4.126 1.00 0.00 C ATOM 885 C CYS A 61 -11.871 5.704 3.479 1.00 0.00 C ATOM 886 O CYS A 61 -13.044 5.379 3.666 1.00 0.00 O ATOM 887 CB CYS A 61 -9.712 4.511 3.064 1.00 0.00 C ATOM 888 SG CYS A 61 -10.396 3.485 1.741 1.00 0.00 S ATOM 0 H CYS A 61 -12.226 3.553 4.661 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.242 5.565 4.858 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.279 5.410 2.625 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.899 3.968 3.547 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.142 4.216 0.967 1.00 0.00 H new ATOM 894 N GLU A 62 -11.519 6.734 2.719 1.00 0.00 N ATOM 895 CA GLU A 62 -12.513 7.560 2.044 1.00 0.00 C ATOM 896 C GLU A 62 -12.903 6.953 0.698 1.00 0.00 C ATOM 897 O GLU A 62 -12.199 6.094 0.167 1.00 0.00 O ATOM 898 CB GLU A 62 -11.976 8.980 1.844 1.00 0.00 C ATOM 899 CG GLU A 62 -12.546 9.989 2.827 1.00 0.00 C ATOM 900 CD GLU A 62 -12.128 11.413 2.510 1.00 0.00 C ATOM 901 OE1 GLU A 62 -12.481 11.906 1.418 1.00 0.00 O ATOM 902 OE2 GLU A 62 -11.449 12.033 3.354 1.00 0.00 O ATOM 0 H GLU A 62 -10.553 7.017 2.555 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.403 7.602 2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.890 8.966 1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.203 9.306 0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.634 9.923 2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.218 9.734 3.835 1.00 0.00 H new ATOM 909 N PRO A 63 -14.038 7.392 0.128 1.00 0.00 N ATOM 910 CA PRO A 63 -14.523 6.885 -1.161 1.00 0.00 C ATOM 911 C PRO A 63 -13.497 7.050 -2.276 1.00 0.00 C ATOM 912 O PRO A 63 -12.889 8.111 -2.422 1.00 0.00 O ATOM 913 CB PRO A 63 -15.756 7.747 -1.448 1.00 0.00 C ATOM 914 CG PRO A 63 -16.197 8.237 -0.113 1.00 0.00 C ATOM 915 CD PRO A 63 -14.942 8.409 0.695 1.00 0.00 C ATOM 0 HA PRO A 63 -14.732 5.816 -1.118 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.513 8.576 -2.113 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.540 7.167 -1.935 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.737 9.179 -0.201 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.873 7.525 0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.532 9.414 0.594 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.120 8.243 1.757 1.00 0.00 H new ATOM 923 N LEU A 64 -13.318 5.997 -3.066 1.00 0.00 N ATOM 924 CA LEU A 64 -12.375 6.025 -4.177 1.00 0.00 C ATOM 925 C LEU A 64 -10.973 6.412 -3.709 1.00 0.00 C ATOM 926 O LEU A 64 -10.202 7.007 -4.461 1.00 0.00 O ATOM 927 CB LEU A 64 -12.857 7.005 -5.247 1.00 0.00 C ATOM 928 CG LEU A 64 -14.248 6.713 -5.813 1.00 0.00 C ATOM 929 CD1 LEU A 64 -14.634 7.760 -6.846 1.00 0.00 C ATOM 930 CD2 LEU A 64 -14.291 5.319 -6.422 1.00 0.00 C ATOM 0 H LEU A 64 -13.814 5.113 -2.957 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.324 5.022 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.857 8.010 -4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.140 7.005 -6.068 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.969 6.755 -4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.626 7.536 -7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.642 8.745 -6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.911 7.750 -7.662 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.287 5.126 -6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.559 5.251 -7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.058 4.580 -5.656 1.00 0.00 H new ATOM 942 N LYS A 65 -10.650 6.069 -2.466 1.00 0.00 N ATOM 943 CA LYS A 65 -9.340 6.381 -1.907 1.00 0.00 C ATOM 944 C LYS A 65 -8.622 5.110 -1.463 1.00 0.00 C ATOM 945 O LYS A 65 -7.891 5.112 -0.472 1.00 0.00 O ATOM 946 CB LYS A 65 -9.477 7.341 -0.724 1.00 0.00 C ATOM 947 CG LYS A 65 -9.999 8.716 -1.113 1.00 0.00 C ATOM 948 CD LYS A 65 -9.071 9.823 -0.636 1.00 0.00 C ATOM 949 CE LYS A 65 -9.849 11.000 -0.072 1.00 0.00 C ATOM 950 NZ LYS A 65 -9.212 11.551 1.155 1.00 0.00 N ATOM 0 H LYS A 65 -11.276 5.576 -1.829 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.748 6.861 -2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.149 6.902 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.505 7.453 -0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.106 8.772 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.991 8.863 -0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.398 9.431 0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.450 10.161 -1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.920 11.783 -0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.867 10.685 0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.764 12.363 1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.182 10.816 1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.244 11.860 0.935 1.00 0.00 H new ATOM 964 N GLY A 66 -8.836 4.028 -2.202 1.00 0.00 N ATOM 965 CA GLY A 66 -8.203 2.764 -1.870 1.00 0.00 C ATOM 966 C GLY A 66 -8.138 1.820 -3.053 1.00 0.00 C ATOM 967 O GLY A 66 -9.156 1.529 -3.682 1.00 0.00 O ATOM 0 H GLY A 66 -9.437 4.003 -3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.194 2.952 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.753 2.288 -1.059 1.00 0.00 H new ATOM 971 N ILE A 67 -6.938 1.340 -3.359 1.00 0.00 N ATOM 972 CA ILE A 67 -6.742 0.422 -4.474 1.00 0.00 C ATOM 973 C ILE A 67 -5.756 -0.683 -4.110 1.00 0.00 C ATOM 974 O ILE A 67 -4.947 -0.531 -3.194 1.00 0.00 O ATOM 975 CB ILE A 67 -6.234 1.164 -5.728 1.00 0.00 C ATOM 976 CG1 ILE A 67 -6.137 0.203 -6.915 1.00 0.00 C ATOM 977 CG2 ILE A 67 -4.885 1.814 -5.453 1.00 0.00 C ATOM 978 CD1 ILE A 67 -6.021 0.903 -8.252 1.00 0.00 C ATOM 0 H ILE A 67 -6.085 1.572 -2.850 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.712 -0.023 -4.694 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.948 1.949 -5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.272 -0.445 -6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.018 -0.439 -6.925 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.542 2.333 -6.348 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.985 2.528 -4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.161 1.047 -5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.956 0.160 -9.047 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.898 1.530 -8.412 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.125 1.523 -8.261 1.00 0.00 H new ATOM 990 N PHE A 68 -5.829 -1.797 -4.832 1.00 0.00 N ATOM 991 CA PHE A 68 -4.944 -2.928 -4.584 1.00 0.00 C ATOM 992 C PHE A 68 -4.021 -3.168 -5.775 1.00 0.00 C ATOM 993 O PHE A 68 -4.470 -3.554 -6.854 1.00 0.00 O ATOM 994 CB PHE A 68 -5.761 -4.189 -4.296 1.00 0.00 C ATOM 995 CG PHE A 68 -6.453 -4.165 -2.964 1.00 0.00 C ATOM 996 CD1 PHE A 68 -5.754 -4.441 -1.800 1.00 0.00 C ATOM 997 CD2 PHE A 68 -7.803 -3.865 -2.875 1.00 0.00 C ATOM 998 CE1 PHE A 68 -6.388 -4.419 -0.572 1.00 0.00 C ATOM 999 CE2 PHE A 68 -8.443 -3.843 -1.650 1.00 0.00 C ATOM 1000 CZ PHE A 68 -7.735 -4.120 -0.497 1.00 0.00 C ATOM 0 H PHE A 68 -6.492 -1.940 -5.594 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.332 -2.693 -3.713 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.506 -4.316 -5.081 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.102 -5.056 -4.338 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.701 -4.676 -1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.361 -3.646 -3.773 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.831 -4.635 0.328 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -9.496 -3.609 -1.595 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.233 -4.103 0.461 1.00 0.00 H new ATOM 1010 N THR A 69 -2.728 -2.938 -5.570 1.00 0.00 N ATOM 1011 CA THR A 69 -1.741 -3.129 -6.628 1.00 0.00 C ATOM 1012 C THR A 69 -0.583 -3.992 -6.137 1.00 0.00 C ATOM 1013 O THR A 69 -0.384 -4.159 -4.935 1.00 0.00 O ATOM 1014 CB THR A 69 -1.215 -1.778 -7.115 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.155 -1.957 -8.037 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.708 -0.895 -5.997 1.00 0.00 C ATOM 0 H THR A 69 -2.339 -2.620 -4.682 1.00 0.00 H new ATOM 0 HA THR A 69 -2.228 -3.640 -7.459 1.00 0.00 H new ATOM 0 HB THR A 69 -2.068 -1.287 -7.584 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.167 -1.082 -8.339 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.350 0.047 -6.412 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.517 -0.698 -5.294 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.109 -1.397 -5.479 1.00 0.00 H new ATOM 1024 N ARG A 70 0.179 -4.540 -7.079 1.00 0.00 N ATOM 1025 CA ARG A 70 1.318 -5.387 -6.744 1.00 0.00 C ATOM 1026 C ARG A 70 2.416 -4.577 -6.053 1.00 0.00 C ATOM 1027 O ARG A 70 2.782 -3.498 -6.519 1.00 0.00 O ATOM 1028 CB ARG A 70 1.876 -6.049 -8.005 1.00 0.00 C ATOM 1029 CG ARG A 70 0.878 -6.956 -8.708 1.00 0.00 C ATOM 1030 CD ARG A 70 1.208 -8.425 -8.490 1.00 0.00 C ATOM 1031 NE ARG A 70 2.603 -8.725 -8.803 1.00 0.00 N ATOM 1032 CZ ARG A 70 3.094 -8.761 -10.041 1.00 0.00 C ATOM 1033 NH1 ARG A 70 2.307 -8.515 -11.082 1.00 0.00 N ATOM 1034 NH2 ARG A 70 4.374 -9.042 -10.237 1.00 0.00 N ATOM 0 H ARG A 70 0.028 -4.412 -8.080 1.00 0.00 H new ATOM 0 HA ARG A 70 0.974 -6.160 -6.057 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.201 -5.274 -8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.759 -6.631 -7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.126 -6.749 -8.338 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.876 -6.737 -9.776 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.003 -8.692 -7.453 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.557 -9.039 -9.112 1.00 0.00 H new ATOM 0 HE ARG A 70 3.238 -8.918 -8.029 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.321 -8.297 -10.936 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.688 -8.544 -12.028 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.983 -9.231 -9.440 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.751 -9.070 -11.184 1.00 0.00 H new ATOM 1048 N PRO A 71 2.959 -5.086 -4.933 1.00 0.00 N ATOM 1049 CA PRO A 71 4.020 -4.396 -4.190 1.00 0.00 C ATOM 1050 C PRO A 71 5.221 -4.070 -5.071 1.00 0.00 C ATOM 1051 O PRO A 71 5.842 -3.018 -4.929 1.00 0.00 O ATOM 1052 CB PRO A 71 4.415 -5.399 -3.102 1.00 0.00 C ATOM 1053 CG PRO A 71 3.227 -6.283 -2.945 1.00 0.00 C ATOM 1054 CD PRO A 71 2.589 -6.367 -4.303 1.00 0.00 C ATOM 0 HA PRO A 71 3.681 -3.438 -3.797 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.297 -5.970 -3.393 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.657 -4.893 -2.167 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.520 -7.271 -2.590 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.531 -5.875 -2.212 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.964 -7.218 -4.872 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.507 -6.483 -4.233 1.00 0.00 H new ATOM 1062 N SER A 72 5.542 -4.985 -5.981 1.00 0.00 N ATOM 1063 CA SER A 72 6.670 -4.799 -6.888 1.00 0.00 C ATOM 1064 C SER A 72 6.525 -3.509 -7.689 1.00 0.00 C ATOM 1065 O SER A 72 7.516 -2.930 -8.136 1.00 0.00 O ATOM 1066 CB SER A 72 6.787 -5.993 -7.838 1.00 0.00 C ATOM 1067 OG SER A 72 8.143 -6.334 -8.063 1.00 0.00 O ATOM 0 H SER A 72 5.037 -5.862 -6.110 1.00 0.00 H new ATOM 0 HA SER A 72 7.577 -4.728 -6.287 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.258 -6.849 -7.418 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.306 -5.755 -8.787 1.00 0.00 H new ATOM 0 HG SER A 72 8.191 -7.101 -8.672 1.00 0.00 H new ATOM 1073 N LYS A 73 5.286 -3.062 -7.870 1.00 0.00 N ATOM 1074 CA LYS A 73 5.016 -1.840 -8.617 1.00 0.00 C ATOM 1075 C LYS A 73 4.827 -0.653 -7.677 1.00 0.00 C ATOM 1076 O LYS A 73 4.039 0.251 -7.953 1.00 0.00 O ATOM 1077 CB LYS A 73 3.772 -2.017 -9.490 1.00 0.00 C ATOM 1078 CG LYS A 73 3.758 -3.321 -10.274 1.00 0.00 C ATOM 1079 CD LYS A 73 3.712 -3.074 -11.773 1.00 0.00 C ATOM 1080 CE LYS A 73 5.091 -3.201 -12.401 1.00 0.00 C ATOM 1081 NZ LYS A 73 5.019 -3.274 -13.887 1.00 0.00 N ATOM 0 H LYS A 73 4.454 -3.528 -7.509 1.00 0.00 H new ATOM 0 HA LYS A 73 5.876 -1.638 -9.255 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.885 -1.974 -8.857 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.707 -1.182 -10.188 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.646 -3.903 -10.028 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.894 -3.916 -9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.032 -3.786 -12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.313 -2.078 -11.967 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.703 -2.348 -12.109 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.584 -4.094 -12.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.979 -3.360 -14.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.456 -4.102 -14.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.571 -2.411 -14.256 1.00 0.00 H new ATOM 1095 N LEU A 74 5.555 -0.664 -6.565 1.00 0.00 N ATOM 1096 CA LEU A 74 5.469 0.412 -5.584 1.00 0.00 C ATOM 1097 C LEU A 74 6.842 1.024 -5.326 1.00 0.00 C ATOM 1098 O LEU A 74 7.807 0.311 -5.048 1.00 0.00 O ATOM 1099 CB LEU A 74 4.876 -0.110 -4.274 1.00 0.00 C ATOM 1100 CG LEU A 74 3.399 -0.502 -4.342 1.00 0.00 C ATOM 1101 CD1 LEU A 74 2.940 -1.084 -3.014 1.00 0.00 C ATOM 1102 CD2 LEU A 74 2.547 0.699 -4.724 1.00 0.00 C ATOM 0 H LEU A 74 6.211 -1.406 -6.321 1.00 0.00 H new ATOM 0 HA LEU A 74 4.816 1.186 -5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.452 -0.978 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.998 0.655 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 74 3.279 -1.266 -5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.887 -1.357 -3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.531 -1.970 -2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.073 -0.342 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.499 0.402 -4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.671 1.485 -3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.860 1.071 -5.699 1.00 0.00 H new ATOM 1114 N THR A 75 6.923 2.347 -5.422 1.00 0.00 N ATOM 1115 CA THR A 75 8.180 3.053 -5.199 1.00 0.00 C ATOM 1116 C THR A 75 8.045 4.060 -4.062 1.00 0.00 C ATOM 1117 O THR A 75 6.950 4.290 -3.550 1.00 0.00 O ATOM 1118 CB THR A 75 8.620 3.767 -6.478 1.00 0.00 C ATOM 1119 OG1 THR A 75 9.841 4.457 -6.274 1.00 0.00 O ATOM 1120 CG2 THR A 75 7.606 4.772 -6.982 1.00 0.00 C ATOM 0 H THR A 75 6.134 2.951 -5.652 1.00 0.00 H new ATOM 0 HA THR A 75 8.936 2.319 -4.921 1.00 0.00 H new ATOM 0 HB THR A 75 8.730 2.979 -7.223 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.106 4.905 -7.104 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.981 5.242 -7.891 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.666 4.264 -7.197 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.440 5.535 -6.221 1.00 0.00 H new ATOM 1128 N ARG A 76 9.166 4.658 -3.672 1.00 0.00 N ATOM 1129 CA ARG A 76 9.174 5.642 -2.595 1.00 0.00 C ATOM 1130 C ARG A 76 9.592 7.014 -3.114 1.00 0.00 C ATOM 1131 O ARG A 76 10.708 7.191 -3.601 1.00 0.00 O ATOM 1132 CB ARG A 76 10.121 5.198 -1.477 1.00 0.00 C ATOM 1133 CG ARG A 76 9.762 3.848 -0.877 1.00 0.00 C ATOM 1134 CD ARG A 76 10.957 3.209 -0.188 1.00 0.00 C ATOM 1135 NE ARG A 76 10.553 2.165 0.751 1.00 0.00 N ATOM 1136 CZ ARG A 76 10.078 2.409 1.971 1.00 0.00 C ATOM 1137 NH1 ARG A 76 9.948 3.657 2.403 1.00 0.00 N ATOM 1138 NH2 ARG A 76 9.732 1.401 2.760 1.00 0.00 N ATOM 0 H ARG A 76 10.081 4.478 -4.086 1.00 0.00 H new ATOM 0 HA ARG A 76 8.162 5.716 -2.198 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.137 5.154 -1.869 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.116 5.950 -0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.950 3.972 -0.160 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.396 3.186 -1.662 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.624 2.784 -0.938 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.522 3.975 0.343 1.00 0.00 H new ATOM 0 HE ARG A 76 10.640 1.193 0.455 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.212 4.436 1.800 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.584 3.838 3.338 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.830 0.440 2.432 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.368 1.587 3.695 1.00 0.00 H new ATOM 1152 N LYS A 77 8.687 7.981 -3.006 1.00 0.00 N ATOM 1153 CA LYS A 77 8.960 9.338 -3.465 1.00 0.00 C ATOM 1154 C LYS A 77 9.263 9.357 -4.960 1.00 0.00 C ATOM 1155 O LYS A 77 9.527 8.317 -5.563 1.00 0.00 O ATOM 1156 CB LYS A 77 10.134 9.936 -2.686 1.00 0.00 C ATOM 1157 CG LYS A 77 9.953 11.407 -2.347 1.00 0.00 C ATOM 1158 CD LYS A 77 11.291 12.112 -2.195 1.00 0.00 C ATOM 1159 CE LYS A 77 11.121 13.515 -1.635 1.00 0.00 C ATOM 1160 NZ LYS A 77 10.326 13.518 -0.377 1.00 0.00 N ATOM 0 H LYS A 77 7.758 7.850 -2.605 1.00 0.00 H new ATOM 0 HA LYS A 77 8.070 9.941 -3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.271 9.373 -1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.046 9.816 -3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.371 11.893 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.384 11.501 -1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.936 11.532 -1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.788 12.163 -3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.102 13.952 -1.446 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.629 14.145 -2.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.689 14.255 0.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.328 13.711 -0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.405 12.590 0.086 1.00 0.00 H new