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 :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.375 X(o=-0.38,f=-0.22) USER MOD Single : A 20 LYS NZ :NH3+ 143:sc= -0.243 (180deg=-1.06!) USER MOD Single : A 25 GLN : amide:sc= -0.227 X(o=-0.23,f=0.13) USER MOD Single : A 30 THR OG1 : rot 163:sc= 2.05 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.9) 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= -0.0909 X(o=-0.091,f=-0.13) USER MOD Single : A 52 SER OG : rot -30:sc=-0.00466 USER MOD Single : A 58 TYR OH : rot -149:sc= 0.0703 USER MOD Single : A 60 GLN : amide:sc= -0.109 K(o=-0.11,f=-2.1!) USER MOD Single : A 61 CYS SG : rot -137:sc= -1.11 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 61:sc= -0.393 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 63:sc= -0.425 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N PHE A 8 8.575 -2.888 2.110 1.00 0.00 N ATOM 69 CA PHE A 8 7.553 -2.011 2.669 1.00 0.00 C ATOM 70 C PHE A 8 6.891 -2.653 3.885 1.00 0.00 C ATOM 71 O PHE A 8 7.049 -3.849 4.131 1.00 0.00 O ATOM 72 CB PHE A 8 6.496 -1.686 1.611 1.00 0.00 C ATOM 73 CG PHE A 8 7.047 -0.968 0.413 1.00 0.00 C ATOM 74 CD1 PHE A 8 7.437 0.359 0.503 1.00 0.00 C ATOM 75 CD2 PHE A 8 7.177 -1.619 -0.803 1.00 0.00 C ATOM 76 CE1 PHE A 8 7.945 1.023 -0.598 1.00 0.00 C ATOM 77 CE2 PHE A 8 7.684 -0.961 -1.907 1.00 0.00 C ATOM 78 CZ PHE A 8 8.069 0.361 -1.804 1.00 0.00 C ATOM 0 HA PHE A 8 8.036 -1.087 2.986 1.00 0.00 H new ATOM 0 HB2 PHE A 8 6.024 -2.613 1.284 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.716 -1.074 2.064 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.343 0.880 1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.878 -2.653 -0.889 1.00 0.00 H new ATOM 0 HE1 PHE A 8 8.244 2.057 -0.515 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.779 -1.480 -2.849 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.467 0.877 -2.665 1.00 0.00 H new ATOM 88 N ARG A 9 6.147 -1.851 4.639 1.00 0.00 N ATOM 89 CA ARG A 9 5.460 -2.341 5.829 1.00 0.00 C ATOM 90 C ARG A 9 4.142 -1.603 6.039 1.00 0.00 C ATOM 91 O ARG A 9 3.899 -0.561 5.430 1.00 0.00 O ATOM 92 CB ARG A 9 6.352 -2.179 7.062 1.00 0.00 C ATOM 93 CG ARG A 9 7.178 -3.414 7.382 1.00 0.00 C ATOM 94 CD ARG A 9 7.477 -3.514 8.869 1.00 0.00 C ATOM 95 NE ARG A 9 8.372 -4.627 9.174 1.00 0.00 N ATOM 96 CZ ARG A 9 9.689 -4.593 8.981 1.00 0.00 C ATOM 97 NH1 ARG A 9 10.267 -3.505 8.485 1.00 0.00 N ATOM 98 NH2 ARG A 9 10.431 -5.649 9.286 1.00 0.00 N ATOM 0 H ARG A 9 6.004 -0.859 4.448 1.00 0.00 H new ATOM 0 HA ARG A 9 5.243 -3.399 5.683 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.023 -1.334 6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.728 -1.937 7.922 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.642 -4.306 7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.113 -3.382 6.823 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.927 -2.582 9.212 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.544 -3.638 9.419 1.00 0.00 H new ATOM 0 HE ARG A 9 7.965 -5.480 9.557 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.702 -2.689 8.250 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.276 -3.485 8.339 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.993 -6.487 9.668 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.440 -5.623 9.138 1.00 0.00 H new ATOM 112 N VAL A 10 3.295 -2.149 6.905 1.00 0.00 N ATOM 113 CA VAL A 10 2.001 -1.542 7.195 1.00 0.00 C ATOM 114 C VAL A 10 2.171 -0.210 7.917 1.00 0.00 C ATOM 115 O VAL A 10 2.522 -0.171 9.096 1.00 0.00 O ATOM 116 CB VAL A 10 1.122 -2.471 8.055 1.00 0.00 C ATOM 117 CG1 VAL A 10 -0.274 -1.892 8.215 1.00 0.00 C ATOM 118 CG2 VAL A 10 1.062 -3.865 7.446 1.00 0.00 C ATOM 0 H VAL A 10 3.481 -3.011 7.418 1.00 0.00 H new ATOM 0 HA VAL A 10 1.508 -1.375 6.237 1.00 0.00 H new ATOM 0 HB VAL A 10 1.572 -2.550 9.045 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.878 -2.563 8.825 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.211 -0.918 8.701 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.736 -1.779 7.234 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.437 -4.507 8.067 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.638 -3.806 6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.068 -4.282 7.391 1.00 0.00 H new ATOM 128 N GLY A 11 1.919 0.882 7.201 1.00 0.00 N ATOM 129 CA GLY A 11 2.049 2.201 7.790 1.00 0.00 C ATOM 130 C GLY A 11 3.183 3.000 7.178 1.00 0.00 C ATOM 131 O GLY A 11 3.771 3.858 7.836 1.00 0.00 O ATOM 0 H GLY A 11 1.627 0.876 6.224 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.114 2.746 7.662 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.216 2.102 8.863 1.00 0.00 H new ATOM 135 N GLU A 12 3.489 2.717 5.917 1.00 0.00 N ATOM 136 CA GLU A 12 4.561 3.414 5.215 1.00 0.00 C ATOM 137 C GLU A 12 4.054 4.016 3.909 1.00 0.00 C ATOM 138 O GLU A 12 3.256 3.403 3.200 1.00 0.00 O ATOM 139 CB GLU A 12 5.722 2.458 4.932 1.00 0.00 C ATOM 140 CG GLU A 12 6.207 1.709 6.164 1.00 0.00 C ATOM 141 CD GLU A 12 7.707 1.809 6.355 1.00 0.00 C ATOM 142 OE1 GLU A 12 8.249 2.928 6.230 1.00 0.00 O ATOM 143 OE2 GLU A 12 8.341 0.768 6.629 1.00 0.00 O ATOM 0 H GLU A 12 3.010 2.010 5.359 1.00 0.00 H new ATOM 0 HA GLU A 12 4.914 4.223 5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.412 1.736 4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.553 3.023 4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.705 2.106 7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.924 0.660 6.081 1.00 0.00 H new ATOM 150 N ARG A 13 4.522 5.220 3.596 1.00 0.00 N ATOM 151 CA ARG A 13 4.116 5.904 2.375 1.00 0.00 C ATOM 152 C ARG A 13 4.765 5.266 1.151 1.00 0.00 C ATOM 153 O ARG A 13 5.970 5.013 1.137 1.00 0.00 O ATOM 154 CB ARG A 13 4.485 7.387 2.448 1.00 0.00 C ATOM 155 CG ARG A 13 3.583 8.280 1.613 1.00 0.00 C ATOM 156 CD ARG A 13 2.441 8.852 2.438 1.00 0.00 C ATOM 157 NE ARG A 13 2.563 10.298 2.614 1.00 0.00 N ATOM 158 CZ ARG A 13 2.373 11.182 1.636 1.00 0.00 C ATOM 159 NH1 ARG A 13 2.053 10.773 0.414 1.00 0.00 N ATOM 160 NH2 ARG A 13 2.503 12.478 1.881 1.00 0.00 N ATOM 0 H ARG A 13 5.183 5.742 4.172 1.00 0.00 H new ATOM 0 HA ARG A 13 3.034 5.811 2.280 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.443 7.713 3.487 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.515 7.513 2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.169 9.095 1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.178 7.709 0.777 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.493 8.625 1.951 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.422 8.368 3.415 1.00 0.00 H new ATOM 0 HE ARG A 13 2.808 10.650 3.539 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.951 9.777 0.220 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.909 11.455 -0.331 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.748 12.798 2.818 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.358 13.156 1.133 1.00 0.00 H new ATOM 174 N VAL A 14 3.960 5.009 0.126 1.00 0.00 N ATOM 175 CA VAL A 14 4.456 4.401 -1.103 1.00 0.00 C ATOM 176 C VAL A 14 4.057 5.224 -2.323 1.00 0.00 C ATOM 177 O VAL A 14 3.320 6.203 -2.210 1.00 0.00 O ATOM 178 CB VAL A 14 3.928 2.964 -1.272 1.00 0.00 C ATOM 179 CG1 VAL A 14 4.535 2.045 -0.224 1.00 0.00 C ATOM 180 CG2 VAL A 14 2.409 2.941 -1.197 1.00 0.00 C ATOM 0 H VAL A 14 2.960 5.212 0.122 1.00 0.00 H new ATOM 0 HA VAL A 14 5.543 4.374 -1.026 1.00 0.00 H new ATOM 0 HB VAL A 14 4.226 2.601 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.150 1.034 -0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.620 2.038 -0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.271 2.403 0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.054 1.918 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.087 3.324 -0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.996 3.565 -1.990 1.00 0.00 H new ATOM 190 N TRP A 15 4.548 4.819 -3.490 1.00 0.00 N ATOM 191 CA TRP A 15 4.242 5.520 -4.732 1.00 0.00 C ATOM 192 C TRP A 15 3.791 4.542 -5.813 1.00 0.00 C ATOM 193 O TRP A 15 4.605 3.816 -6.384 1.00 0.00 O ATOM 194 CB TRP A 15 5.464 6.307 -5.212 1.00 0.00 C ATOM 195 CG TRP A 15 5.267 7.791 -5.175 1.00 0.00 C ATOM 196 CD1 TRP A 15 5.003 8.609 -6.236 1.00 0.00 C ATOM 197 CD2 TRP A 15 5.318 8.635 -4.019 1.00 0.00 C ATOM 198 NE1 TRP A 15 4.888 9.911 -5.810 1.00 0.00 N ATOM 199 CE2 TRP A 15 5.076 9.952 -4.454 1.00 0.00 C ATOM 200 CE3 TRP A 15 5.543 8.405 -2.659 1.00 0.00 C ATOM 201 CZ2 TRP A 15 5.055 11.033 -3.576 1.00 0.00 C ATOM 202 CZ3 TRP A 15 5.522 9.479 -1.789 1.00 0.00 C ATOM 203 CH2 TRP A 15 5.278 10.778 -2.250 1.00 0.00 C ATOM 0 H TRP A 15 5.159 4.010 -3.602 1.00 0.00 H new ATOM 0 HA TRP A 15 3.426 6.216 -4.537 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.322 6.046 -4.592 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.704 6.005 -6.231 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.900 8.281 -7.260 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.694 10.715 -6.407 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.730 7.406 -2.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.869 12.037 -3.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.697 9.313 -0.736 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.265 11.596 -1.545 1.00 0.00 H new ATOM 214 N VAL A 16 2.492 4.528 -6.088 1.00 0.00 N ATOM 215 CA VAL A 16 1.934 3.640 -7.102 1.00 0.00 C ATOM 216 C VAL A 16 2.214 4.167 -8.505 1.00 0.00 C ATOM 217 O VAL A 16 1.864 5.300 -8.834 1.00 0.00 O ATOM 218 CB VAL A 16 0.414 3.466 -6.924 1.00 0.00 C ATOM 219 CG1 VAL A 16 -0.113 2.391 -7.861 1.00 0.00 C ATOM 220 CG2 VAL A 16 0.080 3.136 -5.478 1.00 0.00 C ATOM 0 H VAL A 16 1.805 5.121 -5.623 1.00 0.00 H new ATOM 0 HA VAL A 16 2.418 2.672 -6.976 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.074 4.407 -7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.188 2.282 -7.721 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.092 2.676 -8.893 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.379 1.444 -7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.998 3.017 -5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.578 2.209 -5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.421 3.945 -4.832 1.00 0.00 H new ATOM 230 N ASN A 17 2.848 3.338 -9.327 1.00 0.00 N ATOM 231 CA ASN A 17 3.176 3.721 -10.697 1.00 0.00 C ATOM 232 C ASN A 17 4.047 4.974 -10.722 1.00 0.00 C ATOM 233 O ASN A 17 4.082 5.697 -11.718 1.00 0.00 O ATOM 234 CB ASN A 17 1.897 3.959 -11.502 1.00 0.00 C ATOM 235 CG ASN A 17 1.455 2.725 -12.264 1.00 0.00 C ATOM 236 OD1 ASN A 17 0.645 1.891 -11.622 1.00 0.00 O flip ATOM 237 ND2 ASN A 17 1.838 2.523 -13.416 1.00 0.00 N flip ATOM 0 H ASN A 17 3.145 2.397 -9.070 1.00 0.00 H new ATOM 0 HA ASN A 17 3.737 2.904 -11.150 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.100 4.271 -10.828 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.060 4.777 -12.204 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.460 3.191 -13.871 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.533 1.688 -13.916 1.00 0.00 H new ATOM 244 N GLY A 18 4.751 5.227 -9.621 1.00 0.00 N ATOM 245 CA GLY A 18 5.612 6.393 -9.541 1.00 0.00 C ATOM 246 C GLY A 18 4.873 7.687 -9.825 1.00 0.00 C ATOM 247 O GLY A 18 5.415 8.589 -10.465 1.00 0.00 O ATOM 0 H GLY A 18 4.740 4.645 -8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.056 6.444 -8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.431 6.284 -10.251 1.00 0.00 H new ATOM 251 N ASN A 19 3.635 7.778 -9.351 1.00 0.00 N ATOM 252 CA ASN A 19 2.825 8.972 -9.561 1.00 0.00 C ATOM 253 C ASN A 19 1.483 8.857 -8.842 1.00 0.00 C ATOM 254 O ASN A 19 0.458 9.317 -9.343 1.00 0.00 O ATOM 255 CB ASN A 19 2.596 9.201 -11.056 1.00 0.00 C ATOM 256 CG ASN A 19 2.101 10.603 -11.357 1.00 0.00 C ATOM 257 OD1 ASN A 19 1.062 10.783 -11.994 1.00 0.00 O ATOM 258 ND2 ASN A 19 2.844 11.604 -10.901 1.00 0.00 N ATOM 0 H ASN A 19 3.172 7.041 -8.820 1.00 0.00 H new ATOM 0 HA ASN A 19 3.366 9.823 -9.147 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.527 9.024 -11.595 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.871 8.476 -11.425 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.561 12.569 -11.074 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.697 11.408 -10.378 1.00 0.00 H new ATOM 265 N LYS A 20 1.499 8.242 -7.664 1.00 0.00 N ATOM 266 CA LYS A 20 0.284 8.069 -6.876 1.00 0.00 C ATOM 267 C LYS A 20 0.618 7.699 -5.432 1.00 0.00 C ATOM 268 O LYS A 20 0.675 6.520 -5.082 1.00 0.00 O ATOM 269 CB LYS A 20 -0.602 6.989 -7.499 1.00 0.00 C ATOM 270 CG LYS A 20 -1.545 7.517 -8.569 1.00 0.00 C ATOM 271 CD LYS A 20 -2.720 6.578 -8.788 1.00 0.00 C ATOM 272 CE LYS A 20 -3.426 6.866 -10.103 1.00 0.00 C ATOM 273 NZ LYS A 20 -2.475 6.895 -11.249 1.00 0.00 N ATOM 0 H LYS A 20 2.339 7.855 -7.234 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.255 9.016 -6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.032 6.217 -7.935 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.188 6.514 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.913 8.501 -8.278 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.001 7.645 -9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.369 5.546 -8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.427 6.680 -7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.186 6.105 -10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.943 7.823 -10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.928 6.477 -12.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.209 7.879 -11.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.623 6.349 -11.007 1.00 0.00 H new ATOM 287 N PRO A 21 0.843 8.707 -4.572 1.00 0.00 N ATOM 288 CA PRO A 21 1.173 8.482 -3.162 1.00 0.00 C ATOM 289 C PRO A 21 -0.003 7.912 -2.376 1.00 0.00 C ATOM 290 O PRO A 21 -1.160 8.062 -2.773 1.00 0.00 O ATOM 291 CB PRO A 21 1.529 9.880 -2.650 1.00 0.00 C ATOM 292 CG PRO A 21 0.815 10.814 -3.563 1.00 0.00 C ATOM 293 CD PRO A 21 0.794 10.142 -4.908 1.00 0.00 C ATOM 0 HA PRO A 21 1.975 7.754 -3.044 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.210 10.016 -1.617 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.606 10.048 -2.675 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.197 11.009 -3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.326 11.776 -3.615 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.106 10.393 -5.469 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.645 10.441 -5.520 1.00 0.00 H new ATOM 301 N GLY A 22 0.299 7.257 -1.260 1.00 0.00 N ATOM 302 CA GLY A 22 -0.743 6.675 -0.435 1.00 0.00 C ATOM 303 C GLY A 22 -0.185 5.871 0.723 1.00 0.00 C ATOM 304 O GLY A 22 0.934 5.361 0.650 1.00 0.00 O ATOM 0 H GLY A 22 1.248 7.119 -0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.381 7.469 -0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.372 6.032 -1.050 1.00 0.00 H new ATOM 308 N PHE A 23 -0.964 5.758 1.792 1.00 0.00 N ATOM 309 CA PHE A 23 -0.541 5.012 2.971 1.00 0.00 C ATOM 310 C PHE A 23 -0.959 3.548 2.868 1.00 0.00 C ATOM 311 O PHE A 23 -2.009 3.230 2.310 1.00 0.00 O ATOM 312 CB PHE A 23 -1.135 5.634 4.236 1.00 0.00 C ATOM 313 CG PHE A 23 -0.418 6.874 4.689 1.00 0.00 C ATOM 314 CD1 PHE A 23 -0.493 8.044 3.949 1.00 0.00 C ATOM 315 CD2 PHE A 23 0.331 6.870 5.855 1.00 0.00 C ATOM 316 CE1 PHE A 23 0.165 9.185 4.364 1.00 0.00 C ATOM 317 CE2 PHE A 23 0.992 8.008 6.274 1.00 0.00 C ATOM 318 CZ PHE A 23 0.909 9.168 5.528 1.00 0.00 C ATOM 0 H PHE A 23 -1.892 6.174 1.867 1.00 0.00 H new ATOM 0 HA PHE A 23 0.547 5.059 3.027 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.182 5.875 4.055 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.112 4.897 5.039 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.072 8.063 3.038 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.399 5.967 6.443 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.098 10.090 3.779 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.573 7.991 7.184 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.424 10.059 5.854 1.00 0.00 H new ATOM 328 N ILE A 24 -0.128 2.662 3.410 1.00 0.00 N ATOM 329 CA ILE A 24 -0.412 1.233 3.380 1.00 0.00 C ATOM 330 C ILE A 24 -1.211 0.805 4.606 1.00 0.00 C ATOM 331 O ILE A 24 -0.741 0.925 5.739 1.00 0.00 O ATOM 332 CB ILE A 24 0.884 0.403 3.312 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.799 0.933 2.206 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.563 -1.066 3.083 1.00 0.00 C ATOM 335 CD1 ILE A 24 3.236 0.478 2.339 1.00 0.00 C ATOM 0 H ILE A 24 0.746 2.909 3.874 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.001 1.048 2.482 1.00 0.00 H new ATOM 0 HB ILE A 24 1.406 0.496 4.264 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.412 0.609 1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.770 2.023 2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.490 -1.638 3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.052 -1.436 3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.021 -1.178 2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.826 0.892 1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.641 0.824 3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.278 -0.611 2.302 1.00 0.00 H new ATOM 347 N GLN A 25 -2.422 0.308 4.375 1.00 0.00 N ATOM 348 CA GLN A 25 -3.286 -0.136 5.462 1.00 0.00 C ATOM 349 C GLN A 25 -3.325 -1.659 5.539 1.00 0.00 C ATOM 350 O GLN A 25 -3.475 -2.232 6.619 1.00 0.00 O ATOM 351 CB GLN A 25 -4.701 0.413 5.273 1.00 0.00 C ATOM 352 CG GLN A 25 -4.763 1.931 5.220 1.00 0.00 C ATOM 353 CD GLN A 25 -5.034 2.551 6.577 1.00 0.00 C ATOM 354 OE1 GLN A 25 -6.118 3.075 6.828 1.00 0.00 O ATOM 355 NE2 GLN A 25 -4.044 2.494 7.461 1.00 0.00 N ATOM 0 H GLN A 25 -2.827 0.203 3.445 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.877 0.247 6.397 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.119 0.008 4.351 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.331 0.060 6.090 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.821 2.316 4.830 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.544 2.235 4.523 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.161 2.049 7.210 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.167 2.895 8.391 1.00 0.00 H new ATOM 364 N PHE A 26 -3.190 -2.308 4.387 1.00 0.00 N ATOM 365 CA PHE A 26 -3.211 -3.765 4.325 1.00 0.00 C ATOM 366 C PHE A 26 -2.097 -4.287 3.424 1.00 0.00 C ATOM 367 O PHE A 26 -1.713 -3.635 2.453 1.00 0.00 O ATOM 368 CB PHE A 26 -4.567 -4.255 3.815 1.00 0.00 C ATOM 369 CG PHE A 26 -4.756 -5.740 3.941 1.00 0.00 C ATOM 370 CD1 PHE A 26 -5.287 -6.288 5.098 1.00 0.00 C ATOM 371 CD2 PHE A 26 -4.403 -6.587 2.903 1.00 0.00 C ATOM 372 CE1 PHE A 26 -5.461 -7.654 5.217 1.00 0.00 C ATOM 373 CE2 PHE A 26 -4.575 -7.953 3.016 1.00 0.00 C ATOM 374 CZ PHE A 26 -5.105 -8.487 4.175 1.00 0.00 C ATOM 0 H PHE A 26 -3.065 -1.849 3.485 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.049 -4.149 5.332 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.358 -3.748 4.367 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.677 -3.971 2.768 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.568 -5.641 5.916 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.989 -6.175 1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.875 -8.069 6.124 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.296 -8.603 2.200 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.241 -9.555 4.266 1.00 0.00 H new ATOM 384 N LEU A 27 -1.581 -5.467 3.751 1.00 0.00 N ATOM 385 CA LEU A 27 -0.510 -6.077 2.971 1.00 0.00 C ATOM 386 C LEU A 27 -0.699 -7.588 2.877 1.00 0.00 C ATOM 387 O LEU A 27 -0.708 -8.287 3.891 1.00 0.00 O ATOM 388 CB LEU A 27 0.850 -5.758 3.594 1.00 0.00 C ATOM 389 CG LEU A 27 1.534 -4.502 3.051 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.783 -4.183 3.857 1.00 0.00 C ATOM 391 CD2 LEU A 27 1.878 -4.679 1.580 1.00 0.00 C ATOM 0 H LEU A 27 -1.887 -6.020 4.551 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.545 -5.661 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.722 -5.646 4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.512 -6.610 3.438 1.00 0.00 H new ATOM 0 HG LEU A 27 0.843 -3.665 3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.256 -3.287 3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.510 -4.014 4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.479 -5.019 3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.364 -3.777 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.552 -5.528 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.965 -4.859 1.012 1.00 0.00 H new ATOM 403 N GLY A 28 -0.851 -8.086 1.654 1.00 0.00 N ATOM 404 CA GLY A 28 -1.038 -9.510 1.451 1.00 0.00 C ATOM 405 C GLY A 28 -2.081 -9.813 0.393 1.00 0.00 C ATOM 406 O GLY A 28 -2.817 -8.924 -0.034 1.00 0.00 O ATOM 0 H GLY A 28 -0.848 -7.528 0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.089 -9.960 1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.335 -9.972 2.392 1.00 0.00 H new ATOM 410 N GLU A 29 -2.145 -11.072 -0.029 1.00 0.00 N ATOM 411 CA GLU A 29 -3.106 -11.490 -1.042 1.00 0.00 C ATOM 412 C GLU A 29 -4.535 -11.255 -0.566 1.00 0.00 C ATOM 413 O GLU A 29 -4.776 -11.037 0.622 1.00 0.00 O ATOM 414 CB GLU A 29 -2.907 -12.966 -1.390 1.00 0.00 C ATOM 415 CG GLU A 29 -3.122 -13.902 -0.211 1.00 0.00 C ATOM 416 CD GLU A 29 -4.445 -14.639 -0.287 1.00 0.00 C ATOM 417 OE1 GLU A 29 -4.495 -15.706 -0.933 1.00 0.00 O ATOM 418 OE2 GLU A 29 -5.432 -14.147 0.299 1.00 0.00 O ATOM 0 H GLU A 29 -1.543 -11.820 0.315 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.936 -10.889 -1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.595 -13.238 -2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.898 -13.107 -1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.308 -14.626 -0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.082 -13.329 0.715 1.00 0.00 H new ATOM 425 N THR A 30 -5.481 -11.302 -1.499 1.00 0.00 N ATOM 426 CA THR A 30 -6.887 -11.094 -1.173 1.00 0.00 C ATOM 427 C THR A 30 -7.723 -12.309 -1.564 1.00 0.00 C ATOM 428 O THR A 30 -7.188 -13.326 -2.007 1.00 0.00 O ATOM 429 CB THR A 30 -7.417 -9.847 -1.881 1.00 0.00 C ATOM 430 OG1 THR A 30 -7.365 -10.008 -3.287 1.00 0.00 O ATOM 431 CG2 THR A 30 -6.648 -8.590 -1.535 1.00 0.00 C ATOM 0 H THR A 30 -5.299 -11.482 -2.486 1.00 0.00 H new ATOM 0 HA THR A 30 -6.967 -10.953 -0.095 1.00 0.00 H new ATOM 0 HB THR A 30 -8.444 -9.733 -1.534 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.949 -9.347 -3.714 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.076 -7.743 -2.071 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.710 -8.409 -0.462 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.604 -8.712 -1.823 1.00 0.00 H new ATOM 439 N GLN A 31 -9.037 -12.196 -1.396 1.00 0.00 N ATOM 440 CA GLN A 31 -9.946 -13.286 -1.732 1.00 0.00 C ATOM 441 C GLN A 31 -10.545 -13.090 -3.121 1.00 0.00 C ATOM 442 O GLN A 31 -10.850 -14.058 -3.818 1.00 0.00 O ATOM 443 CB GLN A 31 -11.064 -13.383 -0.691 1.00 0.00 C ATOM 444 CG GLN A 31 -10.589 -13.864 0.669 1.00 0.00 C ATOM 445 CD GLN A 31 -11.722 -14.015 1.664 1.00 0.00 C ATOM 446 OE1 GLN A 31 -12.892 -13.843 1.320 1.00 0.00 O ATOM 447 NE2 GLN A 31 -11.382 -14.337 2.906 1.00 0.00 N ATOM 0 H GLN A 31 -9.495 -11.362 -1.030 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.375 -14.214 -1.732 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.530 -12.404 -0.578 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.833 -14.062 -1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.082 -14.822 0.554 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.856 -13.160 1.063 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.400 -14.470 3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.103 -14.451 3.619 1.00 0.00 H new ATOM 456 N PHE A 32 -10.711 -11.832 -3.517 1.00 0.00 N ATOM 457 CA PHE A 32 -11.274 -11.512 -4.824 1.00 0.00 C ATOM 458 C PHE A 32 -10.287 -11.841 -5.939 1.00 0.00 C ATOM 459 O PHE A 32 -10.685 -12.197 -7.048 1.00 0.00 O ATOM 460 CB PHE A 32 -11.661 -10.034 -4.889 1.00 0.00 C ATOM 461 CG PHE A 32 -10.498 -9.098 -4.725 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.574 -8.936 -5.746 1.00 0.00 C ATOM 463 CD2 PHE A 32 -10.326 -8.382 -3.552 1.00 0.00 C ATOM 464 CE1 PHE A 32 -8.503 -8.076 -5.600 1.00 0.00 C ATOM 465 CE2 PHE A 32 -9.256 -7.521 -3.399 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.343 -7.368 -4.424 1.00 0.00 C ATOM 0 H PHE A 32 -10.464 -11.019 -2.953 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.167 -12.121 -4.964 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.144 -9.836 -5.846 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.396 -9.825 -4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.693 -9.489 -6.666 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.037 -8.498 -2.747 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.792 -7.957 -6.404 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.134 -6.968 -2.479 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.506 -6.696 -4.307 1.00 0.00 H new ATOM 476 N ALA A 33 -8.998 -11.722 -5.637 1.00 0.00 N ATOM 477 CA ALA A 33 -7.955 -12.007 -6.614 1.00 0.00 C ATOM 478 C ALA A 33 -6.704 -12.558 -5.935 1.00 0.00 C ATOM 479 O ALA A 33 -6.378 -12.175 -4.811 1.00 0.00 O ATOM 480 CB ALA A 33 -7.619 -10.754 -7.407 1.00 0.00 C ATOM 0 H ALA A 33 -8.651 -11.430 -4.723 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.330 -12.767 -7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.838 -10.981 -8.133 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.510 -10.404 -7.929 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.268 -9.977 -6.728 1.00 0.00 H new ATOM 486 N PRO A 34 -5.981 -13.469 -6.610 1.00 0.00 N ATOM 487 CA PRO A 34 -4.761 -14.070 -6.065 1.00 0.00 C ATOM 488 C PRO A 34 -3.580 -13.105 -6.085 1.00 0.00 C ATOM 489 O PRO A 34 -3.737 -11.921 -6.386 1.00 0.00 O ATOM 490 CB PRO A 34 -4.502 -15.249 -7.002 1.00 0.00 C ATOM 491 CG PRO A 34 -5.102 -14.835 -8.301 1.00 0.00 C ATOM 492 CD PRO A 34 -6.295 -13.983 -7.958 1.00 0.00 C ATOM 0 HA PRO A 34 -4.877 -14.354 -5.019 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.435 -15.448 -7.104 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.962 -16.163 -6.626 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.384 -14.276 -8.901 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.400 -15.704 -8.887 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.428 -13.173 -8.675 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.217 -14.565 -7.960 1.00 0.00 H new ATOM 500 N GLY A 35 -2.397 -13.618 -5.762 1.00 0.00 N ATOM 501 CA GLY A 35 -1.208 -12.788 -5.750 1.00 0.00 C ATOM 502 C GLY A 35 -1.161 -11.857 -4.555 1.00 0.00 C ATOM 503 O GLY A 35 -2.186 -11.596 -3.923 1.00 0.00 O ATOM 0 H GLY A 35 -2.241 -14.594 -5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.324 -13.426 -5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.171 -12.199 -6.667 1.00 0.00 H new ATOM 507 N GLN A 36 0.029 -11.356 -4.242 1.00 0.00 N ATOM 508 CA GLN A 36 0.204 -10.449 -3.113 1.00 0.00 C ATOM 509 C GLN A 36 -0.283 -9.046 -3.462 1.00 0.00 C ATOM 510 O GLN A 36 0.197 -8.429 -4.412 1.00 0.00 O ATOM 511 CB GLN A 36 1.675 -10.402 -2.695 1.00 0.00 C ATOM 512 CG GLN A 36 2.034 -11.416 -1.621 1.00 0.00 C ATOM 513 CD GLN A 36 2.275 -12.802 -2.185 1.00 0.00 C ATOM 514 OE1 GLN A 36 3.262 -13.038 -2.882 1.00 0.00 O ATOM 515 NE2 GLN A 36 1.372 -13.728 -1.886 1.00 0.00 N ATOM 0 H GLN A 36 0.887 -11.562 -4.754 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.392 -10.824 -2.281 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.299 -10.577 -3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.909 -9.401 -2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.928 -11.081 -1.095 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.230 -11.461 -0.886 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.569 -13.488 -1.305 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.481 -14.679 -2.238 1.00 0.00 H new ATOM 524 N TRP A 37 -1.239 -8.548 -2.684 1.00 0.00 N ATOM 525 CA TRP A 37 -1.792 -7.217 -2.909 1.00 0.00 C ATOM 526 C TRP A 37 -1.341 -6.252 -1.818 1.00 0.00 C ATOM 527 O TRP A 37 -0.851 -6.668 -0.769 1.00 0.00 O ATOM 528 CB TRP A 37 -3.319 -7.277 -2.954 1.00 0.00 C ATOM 529 CG TRP A 37 -3.850 -8.044 -4.127 1.00 0.00 C ATOM 530 CD1 TRP A 37 -4.226 -9.355 -4.146 1.00 0.00 C ATOM 531 CD2 TRP A 37 -4.060 -7.545 -5.454 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.659 -9.704 -5.403 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.567 -8.610 -6.223 1.00 0.00 C ATOM 534 CE3 TRP A 37 -3.871 -6.303 -6.064 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -4.886 -8.467 -7.572 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -4.187 -6.163 -7.403 1.00 0.00 C ATOM 537 CH2 TRP A 37 -4.691 -7.241 -8.143 1.00 0.00 C ATOM 0 H TRP A 37 -1.647 -9.046 -1.893 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.422 -6.853 -3.868 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.685 -7.734 -2.035 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.714 -6.262 -2.984 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -4.189 -10.022 -3.297 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.994 -10.627 -5.680 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.485 -5.467 -5.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.274 -9.296 -8.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.043 -5.208 -7.886 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.930 -7.100 -9.187 1.00 0.00 H new ATOM 548 N ALA A 38 -1.511 -4.958 -2.072 1.00 0.00 N ATOM 549 CA ALA A 38 -1.123 -3.933 -1.112 1.00 0.00 C ATOM 550 C ALA A 38 -2.171 -2.829 -1.033 1.00 0.00 C ATOM 551 O ALA A 38 -2.352 -2.061 -1.979 1.00 0.00 O ATOM 552 CB ALA A 38 0.233 -3.351 -1.483 1.00 0.00 C ATOM 0 H ALA A 38 -1.915 -4.595 -2.935 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.051 -4.399 -0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.511 -2.586 -0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.982 -4.143 -1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.178 -2.906 -2.477 1.00 0.00 H new ATOM 558 N GLY A 39 -2.860 -2.754 0.101 1.00 0.00 N ATOM 559 CA GLY A 39 -3.882 -1.740 0.281 1.00 0.00 C ATOM 560 C GLY A 39 -3.297 -0.360 0.510 1.00 0.00 C ATOM 561 O GLY A 39 -2.790 -0.064 1.592 1.00 0.00 O ATOM 0 H GLY A 39 -2.729 -3.377 0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.525 -1.717 -0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.511 -2.010 1.129 1.00 0.00 H new ATOM 565 N ILE A 40 -3.366 0.486 -0.514 1.00 0.00 N ATOM 566 CA ILE A 40 -2.839 1.843 -0.420 1.00 0.00 C ATOM 567 C ILE A 40 -3.968 2.866 -0.348 1.00 0.00 C ATOM 568 O ILE A 40 -4.982 2.735 -1.034 1.00 0.00 O ATOM 569 CB ILE A 40 -1.931 2.178 -1.620 1.00 0.00 C ATOM 570 CG1 ILE A 40 -0.873 1.089 -1.809 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.272 3.535 -1.424 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.499 0.856 -3.257 1.00 0.00 C ATOM 0 H ILE A 40 -3.781 0.256 -1.417 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.249 1.892 0.495 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.546 2.220 -2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.022 1.362 -1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.243 0.156 -1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.634 3.757 -2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.040 4.303 -1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.669 3.519 -0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.255 0.071 -3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.383 0.552 -3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.099 1.777 -3.682 1.00 0.00 H new ATOM 584 N VAL A 41 -3.786 3.883 0.486 1.00 0.00 N ATOM 585 CA VAL A 41 -4.789 4.930 0.647 1.00 0.00 C ATOM 586 C VAL A 41 -4.449 6.151 -0.199 1.00 0.00 C ATOM 587 O VAL A 41 -3.539 6.911 0.127 1.00 0.00 O ATOM 588 CB VAL A 41 -4.921 5.360 2.120 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.103 6.301 2.298 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.058 4.143 3.021 1.00 0.00 C ATOM 0 H VAL A 41 -2.953 4.005 1.062 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.739 4.512 0.312 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.015 5.895 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.180 6.594 3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.957 7.189 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.020 5.795 1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.150 4.466 4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.946 3.578 2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.176 3.511 2.915 1.00 0.00 H new ATOM 600 N LEU A 42 -5.190 6.335 -1.288 1.00 0.00 N ATOM 601 CA LEU A 42 -4.966 7.466 -2.182 1.00 0.00 C ATOM 602 C LEU A 42 -5.401 8.772 -1.525 1.00 0.00 C ATOM 603 O LEU A 42 -6.459 8.842 -0.901 1.00 0.00 O ATOM 604 CB LEU A 42 -5.727 7.263 -3.494 1.00 0.00 C ATOM 605 CG LEU A 42 -5.310 6.032 -4.301 1.00 0.00 C ATOM 606 CD1 LEU A 42 -6.327 5.741 -5.394 1.00 0.00 C ATOM 607 CD2 LEU A 42 -3.925 6.230 -4.897 1.00 0.00 C ATOM 0 H LEU A 42 -5.950 5.716 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.898 7.525 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.791 7.189 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.592 8.148 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.275 5.175 -3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.014 4.862 -5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.302 5.555 -4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.395 6.597 -6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.644 5.345 -5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.933 7.099 -5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.203 6.389 -4.096 1.00 0.00 H new ATOM 619 N ASP A 43 -4.577 9.804 -1.671 1.00 0.00 N ATOM 620 CA ASP A 43 -4.876 11.109 -1.093 1.00 0.00 C ATOM 621 C ASP A 43 -6.120 11.717 -1.735 1.00 0.00 C ATOM 622 O ASP A 43 -6.893 12.412 -1.076 1.00 0.00 O ATOM 623 CB ASP A 43 -3.685 12.052 -1.267 1.00 0.00 C ATOM 624 CG ASP A 43 -2.437 11.542 -0.574 1.00 0.00 C ATOM 625 OD1 ASP A 43 -2.050 10.382 -0.826 1.00 0.00 O ATOM 626 OD2 ASP A 43 -1.847 12.303 0.222 1.00 0.00 O ATOM 0 H ASP A 43 -3.697 9.762 -2.185 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.069 10.972 -0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.480 12.181 -2.330 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.942 13.034 -0.870 1.00 0.00 H new ATOM 631 N GLU A 44 -6.306 11.449 -3.023 1.00 0.00 N ATOM 632 CA GLU A 44 -7.455 11.971 -3.753 1.00 0.00 C ATOM 633 C GLU A 44 -8.440 10.852 -4.088 1.00 0.00 C ATOM 634 O GLU A 44 -8.043 9.704 -4.288 1.00 0.00 O ATOM 635 CB GLU A 44 -6.998 12.666 -5.037 1.00 0.00 C ATOM 636 CG GLU A 44 -6.748 14.155 -4.866 1.00 0.00 C ATOM 637 CD GLU A 44 -5.697 14.684 -5.822 1.00 0.00 C ATOM 638 OE1 GLU A 44 -5.855 14.488 -7.045 1.00 0.00 O ATOM 639 OE2 GLU A 44 -4.716 15.295 -5.347 1.00 0.00 O ATOM 0 H GLU A 44 -5.676 10.874 -3.582 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.960 12.697 -3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.083 12.191 -5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.754 12.519 -5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.681 14.696 -5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.433 14.351 -3.841 1.00 0.00 H new ATOM 646 N PRO A 45 -9.743 11.174 -4.153 1.00 0.00 N ATOM 647 CA PRO A 45 -10.785 10.191 -4.464 1.00 0.00 C ATOM 648 C PRO A 45 -10.749 9.752 -5.925 1.00 0.00 C ATOM 649 O PRO A 45 -11.702 9.969 -6.674 1.00 0.00 O ATOM 650 CB PRO A 45 -12.083 10.941 -4.161 1.00 0.00 C ATOM 651 CG PRO A 45 -11.740 12.378 -4.349 1.00 0.00 C ATOM 652 CD PRO A 45 -10.304 12.521 -3.927 1.00 0.00 C ATOM 0 HA PRO A 45 -10.665 9.273 -3.889 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.884 10.634 -4.833 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.426 10.745 -3.145 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.873 12.678 -5.389 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.388 13.016 -3.748 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.785 13.276 -4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.220 12.821 -2.882 1.00 0.00 H new ATOM 660 N ILE A 46 -9.642 9.133 -6.324 1.00 0.00 N ATOM 661 CA ILE A 46 -9.482 8.664 -7.696 1.00 0.00 C ATOM 662 C ILE A 46 -9.261 7.155 -7.737 1.00 0.00 C ATOM 663 O ILE A 46 -8.574 6.642 -8.621 1.00 0.00 O ATOM 664 CB ILE A 46 -8.301 9.363 -8.393 1.00 0.00 C ATOM 665 CG1 ILE A 46 -7.049 9.297 -7.517 1.00 0.00 C ATOM 666 CG2 ILE A 46 -8.655 10.808 -8.714 1.00 0.00 C ATOM 667 CD1 ILE A 46 -5.783 9.703 -8.239 1.00 0.00 C ATOM 0 H ILE A 46 -8.844 8.945 -5.718 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.403 8.909 -8.225 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.093 8.844 -9.329 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.187 9.944 -6.651 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.933 8.281 -7.140 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.810 11.289 -9.207 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.522 10.832 -9.375 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.887 11.339 -7.791 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.936 9.632 -7.556 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.621 9.040 -9.089 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.879 10.730 -8.592 1.00 0.00 H new ATOM 679 N GLY A 47 -9.849 6.450 -6.777 1.00 0.00 N ATOM 680 CA GLY A 47 -9.704 5.007 -6.724 1.00 0.00 C ATOM 681 C GLY A 47 -10.923 4.282 -7.258 1.00 0.00 C ATOM 682 O GLY A 47 -11.781 4.887 -7.902 1.00 0.00 O ATOM 0 H GLY A 47 -10.423 6.851 -6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.828 4.712 -7.301 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.525 4.700 -5.693 1.00 0.00 H new ATOM 686 N LYS A 48 -11.001 2.982 -6.994 1.00 0.00 N ATOM 687 CA LYS A 48 -12.123 2.172 -7.453 1.00 0.00 C ATOM 688 C LYS A 48 -12.895 1.593 -6.272 1.00 0.00 C ATOM 689 O LYS A 48 -14.126 1.545 -6.286 1.00 0.00 O ATOM 690 CB LYS A 48 -11.628 1.042 -8.357 1.00 0.00 C ATOM 691 CG LYS A 48 -10.901 1.531 -9.600 1.00 0.00 C ATOM 692 CD LYS A 48 -11.701 1.252 -10.863 1.00 0.00 C ATOM 693 CE LYS A 48 -11.061 1.899 -12.081 1.00 0.00 C ATOM 694 NZ LYS A 48 -9.963 1.064 -12.641 1.00 0.00 N ATOM 0 H LYS A 48 -10.299 2.466 -6.463 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.794 2.815 -8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.960 0.397 -7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.479 0.431 -8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.715 2.602 -9.516 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.929 1.043 -9.669 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.775 0.176 -11.018 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.717 1.627 -10.742 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.820 2.062 -12.846 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.669 2.879 -11.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.553 1.540 -13.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.226 0.930 -11.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.342 0.138 -12.926 1.00 0.00 H new ATOM 708 N ASN A 49 -12.166 1.156 -5.252 1.00 0.00 N ATOM 709 CA ASN A 49 -12.782 0.580 -4.062 1.00 0.00 C ATOM 710 C ASN A 49 -12.600 1.496 -2.858 1.00 0.00 C ATOM 711 O ASN A 49 -11.757 2.394 -2.869 1.00 0.00 O ATOM 712 CB ASN A 49 -12.181 -0.795 -3.766 1.00 0.00 C ATOM 713 CG ASN A 49 -12.142 -1.686 -4.992 1.00 0.00 C ATOM 714 OD1 ASN A 49 -13.072 -1.693 -5.799 1.00 0.00 O ATOM 715 ND2 ASN A 49 -11.062 -2.445 -5.140 1.00 0.00 N ATOM 0 H ASN A 49 -11.147 1.189 -5.225 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.849 0.469 -4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.170 -0.671 -3.379 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.764 -1.282 -2.985 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.981 -3.064 -5.946 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.314 -2.408 -4.447 1.00 0.00 H new ATOM 722 N ASP A 50 -13.396 1.264 -1.818 1.00 0.00 N ATOM 723 CA ASP A 50 -13.322 2.069 -0.604 1.00 0.00 C ATOM 724 C ASP A 50 -12.825 1.233 0.571 1.00 0.00 C ATOM 725 O ASP A 50 -13.269 1.413 1.705 1.00 0.00 O ATOM 726 CB ASP A 50 -14.693 2.664 -0.278 1.00 0.00 C ATOM 727 CG ASP A 50 -15.765 1.602 -0.130 1.00 0.00 C ATOM 728 OD1 ASP A 50 -15.408 0.428 0.105 1.00 0.00 O ATOM 729 OD2 ASP A 50 -16.960 1.944 -0.248 1.00 0.00 O ATOM 0 H ASP A 50 -14.099 0.525 -1.792 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.614 2.880 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.626 3.239 0.645 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.981 3.359 -1.067 1.00 0.00 H new ATOM 734 N GLY A 51 -11.903 0.318 0.291 1.00 0.00 N ATOM 735 CA GLY A 51 -11.360 -0.533 1.333 1.00 0.00 C ATOM 736 C GLY A 51 -12.129 -1.833 1.483 1.00 0.00 C ATOM 737 O GLY A 51 -12.025 -2.507 2.509 1.00 0.00 O ATOM 0 H GLY A 51 -11.522 0.151 -0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.317 -0.756 1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.374 0.005 2.281 1.00 0.00 H new ATOM 741 N SER A 52 -12.901 -2.188 0.460 1.00 0.00 N ATOM 742 CA SER A 52 -13.687 -3.415 0.484 1.00 0.00 C ATOM 743 C SER A 52 -14.076 -3.839 -0.928 1.00 0.00 C ATOM 744 O SER A 52 -14.452 -3.008 -1.754 1.00 0.00 O ATOM 745 CB SER A 52 -14.943 -3.225 1.337 1.00 0.00 C ATOM 746 OG SER A 52 -14.634 -2.600 2.571 1.00 0.00 O ATOM 0 H SER A 52 -12.998 -1.642 -0.396 1.00 0.00 H new ATOM 0 HA SER A 52 -13.074 -4.201 0.924 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.668 -2.621 0.792 1.00 0.00 H new ATOM 0 HB3 SER A 52 -15.409 -4.192 1.523 1.00 0.00 H new ATOM 0 HG SER A 52 -13.724 -2.844 2.842 1.00 0.00 H new ATOM 752 N VAL A 53 -13.985 -5.137 -1.199 1.00 0.00 N ATOM 753 CA VAL A 53 -14.328 -5.669 -2.512 1.00 0.00 C ATOM 754 C VAL A 53 -15.371 -6.776 -2.399 1.00 0.00 C ATOM 755 O VAL A 53 -15.173 -7.760 -1.687 1.00 0.00 O ATOM 756 CB VAL A 53 -13.086 -6.220 -3.238 1.00 0.00 C ATOM 757 CG1 VAL A 53 -13.435 -6.626 -4.663 1.00 0.00 C ATOM 758 CG2 VAL A 53 -11.961 -5.196 -3.229 1.00 0.00 C ATOM 0 H VAL A 53 -13.677 -5.839 -0.527 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.739 -4.842 -3.091 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.742 -7.107 -2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -12.545 -7.013 -5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.204 -7.398 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.806 -5.758 -5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.093 -5.604 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -12.291 -4.288 -3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.692 -4.960 -2.199 1.00 0.00 H new ATOM 768 N ALA A 54 -16.482 -6.609 -3.109 1.00 0.00 N ATOM 769 CA ALA A 54 -17.557 -7.593 -3.090 1.00 0.00 C ATOM 770 C ALA A 54 -18.104 -7.783 -1.679 1.00 0.00 C ATOM 771 O ALA A 54 -18.591 -8.859 -1.332 1.00 0.00 O ATOM 772 CB ALA A 54 -17.067 -8.919 -3.651 1.00 0.00 C ATOM 0 H ALA A 54 -16.661 -5.801 -3.705 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.367 -7.222 -3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.880 -9.645 -3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.732 -8.778 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -16.238 -9.286 -3.046 1.00 0.00 H new ATOM 778 N GLY A 55 -18.020 -6.732 -0.870 1.00 0.00 N ATOM 779 CA GLY A 55 -18.511 -6.805 0.494 1.00 0.00 C ATOM 780 C GLY A 55 -17.414 -7.128 1.490 1.00 0.00 C ATOM 781 O GLY A 55 -17.493 -6.743 2.657 1.00 0.00 O ATOM 0 H GLY A 55 -17.621 -5.831 -1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.972 -5.854 0.762 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.289 -7.566 0.556 1.00 0.00 H new ATOM 785 N VAL A 56 -16.388 -7.836 1.031 1.00 0.00 N ATOM 786 CA VAL A 56 -15.271 -8.211 1.890 1.00 0.00 C ATOM 787 C VAL A 56 -14.347 -7.024 2.139 1.00 0.00 C ATOM 788 O VAL A 56 -13.685 -6.539 1.222 1.00 0.00 O ATOM 789 CB VAL A 56 -14.455 -9.364 1.279 1.00 0.00 C ATOM 790 CG1 VAL A 56 -13.423 -9.874 2.273 1.00 0.00 C ATOM 791 CG2 VAL A 56 -15.373 -10.489 0.829 1.00 0.00 C ATOM 0 H VAL A 56 -16.307 -8.162 0.068 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.697 -8.541 2.837 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.927 -8.986 0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.856 -10.689 1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.744 -9.064 2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.928 -10.235 3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.778 -11.295 0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -15.932 -10.867 1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -16.069 -10.113 0.079 1.00 0.00 H new ATOM 801 N ARG A 57 -14.306 -6.563 3.384 1.00 0.00 N ATOM 802 CA ARG A 57 -13.462 -5.433 3.753 1.00 0.00 C ATOM 803 C ARG A 57 -12.067 -5.905 4.152 1.00 0.00 C ATOM 804 O ARG A 57 -11.901 -6.996 4.698 1.00 0.00 O ATOM 805 CB ARG A 57 -14.097 -4.647 4.902 1.00 0.00 C ATOM 806 CG ARG A 57 -13.260 -3.467 5.370 1.00 0.00 C ATOM 807 CD ARG A 57 -12.442 -3.816 6.602 1.00 0.00 C ATOM 808 NE ARG A 57 -13.131 -3.451 7.838 1.00 0.00 N ATOM 809 CZ ARG A 57 -12.827 -3.956 9.032 1.00 0.00 C ATOM 810 NH1 ARG A 57 -11.850 -4.844 9.156 1.00 0.00 N ATOM 811 NH2 ARG A 57 -13.504 -3.570 10.105 1.00 0.00 N ATOM 0 H ARG A 57 -14.847 -6.954 4.155 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.371 -4.780 2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.075 -4.285 4.586 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.263 -5.320 5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.594 -3.152 4.567 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.912 -2.623 5.593 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -12.232 -4.885 6.606 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.482 -3.302 6.557 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.888 -2.770 7.783 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.326 -5.144 8.334 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.622 -5.227 10.074 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.256 -2.887 10.015 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.272 -3.956 11.020 1.00 0.00 H new ATOM 825 N TYR A 58 -11.066 -5.075 3.876 1.00 0.00 N ATOM 826 CA TYR A 58 -9.684 -5.406 4.207 1.00 0.00 C ATOM 827 C TYR A 58 -9.076 -4.356 5.131 1.00 0.00 C ATOM 828 O TYR A 58 -8.334 -4.685 6.057 1.00 0.00 O ATOM 829 CB TYR A 58 -8.849 -5.524 2.931 1.00 0.00 C ATOM 830 CG TYR A 58 -9.229 -6.704 2.064 1.00 0.00 C ATOM 831 CD1 TYR A 58 -8.643 -7.948 2.257 1.00 0.00 C ATOM 832 CD2 TYR A 58 -10.175 -6.573 1.055 1.00 0.00 C ATOM 833 CE1 TYR A 58 -8.987 -9.029 1.468 1.00 0.00 C ATOM 834 CE2 TYR A 58 -10.525 -7.650 0.262 1.00 0.00 C ATOM 835 CZ TYR A 58 -9.929 -8.875 0.473 1.00 0.00 C ATOM 836 OH TYR A 58 -10.274 -9.948 -0.315 1.00 0.00 O ATOM 0 H TYR A 58 -11.186 -4.168 3.424 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.681 -6.364 4.727 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.957 -4.608 2.350 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.797 -5.607 3.202 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.906 -8.073 3.037 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.644 -5.615 0.888 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.520 -9.989 1.630 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.262 -7.532 -0.519 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.521 -9.631 -1.209 1.00 0.00 H new ATOM 846 N PHE A 59 -9.395 -3.091 4.874 1.00 0.00 N ATOM 847 CA PHE A 59 -8.878 -1.995 5.685 1.00 0.00 C ATOM 848 C PHE A 59 -9.848 -0.817 5.690 1.00 0.00 C ATOM 849 O PHE A 59 -10.564 -0.587 4.716 1.00 0.00 O ATOM 850 CB PHE A 59 -7.514 -1.544 5.160 1.00 0.00 C ATOM 851 CG PHE A 59 -7.540 -1.095 3.726 1.00 0.00 C ATOM 852 CD1 PHE A 59 -7.397 -2.013 2.697 1.00 0.00 C ATOM 853 CD2 PHE A 59 -7.709 0.243 3.408 1.00 0.00 C ATOM 854 CE1 PHE A 59 -7.420 -1.603 1.378 1.00 0.00 C ATOM 855 CE2 PHE A 59 -7.733 0.659 2.091 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.588 -0.266 1.074 1.00 0.00 C ATOM 0 H PHE A 59 -10.008 -2.800 4.112 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.766 -2.355 6.708 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.147 -0.727 5.781 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.805 -2.366 5.262 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.266 -3.060 2.929 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.823 0.969 4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.307 -2.327 0.585 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.865 1.705 1.856 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.606 0.056 0.043 1.00 0.00 H new ATOM 866 N GLN A 60 -9.866 -0.076 6.793 1.00 0.00 N ATOM 867 CA GLN A 60 -10.748 1.077 6.924 1.00 0.00 C ATOM 868 C GLN A 60 -10.177 2.287 6.190 1.00 0.00 C ATOM 869 O GLN A 60 -8.991 2.592 6.306 1.00 0.00 O ATOM 870 CB GLN A 60 -10.961 1.417 8.401 1.00 0.00 C ATOM 871 CG GLN A 60 -11.975 2.525 8.630 1.00 0.00 C ATOM 872 CD GLN A 60 -13.396 2.006 8.728 1.00 0.00 C ATOM 873 OE1 GLN A 60 -13.626 0.797 8.765 1.00 0.00 O ATOM 874 NE2 GLN A 60 -14.359 2.920 8.768 1.00 0.00 N ATOM 0 H GLN A 60 -9.280 -0.254 7.609 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.707 0.821 6.474 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.289 0.521 8.928 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.007 1.713 8.838 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -11.723 3.059 9.547 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.911 3.245 7.814 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.123 3.912 8.735 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.335 2.630 8.832 1.00 0.00 H new ATOM 883 N CYS A 61 -11.030 2.970 5.435 1.00 0.00 N ATOM 884 CA CYS A 61 -10.612 4.146 4.682 1.00 0.00 C ATOM 885 C CYS A 61 -11.822 4.931 4.184 1.00 0.00 C ATOM 886 O CYS A 61 -12.962 4.609 4.516 1.00 0.00 O ATOM 887 CB CYS A 61 -9.734 3.734 3.499 1.00 0.00 C ATOM 888 SG CYS A 61 -10.581 2.709 2.272 1.00 0.00 S ATOM 0 H CYS A 61 -12.015 2.729 5.328 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.034 4.787 5.348 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.358 4.632 3.009 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.868 3.190 3.875 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.798 1.739 1.902 1.00 0.00 H new ATOM 894 N GLU A 62 -11.565 5.962 3.386 1.00 0.00 N ATOM 895 CA GLU A 62 -12.634 6.792 2.843 1.00 0.00 C ATOM 896 C GLU A 62 -13.086 6.276 1.479 1.00 0.00 C ATOM 897 O GLU A 62 -12.357 5.544 0.810 1.00 0.00 O ATOM 898 CB GLU A 62 -12.170 8.245 2.726 1.00 0.00 C ATOM 899 CG GLU A 62 -12.466 9.079 3.962 1.00 0.00 C ATOM 900 CD GLU A 62 -13.138 10.398 3.629 1.00 0.00 C ATOM 901 OE1 GLU A 62 -14.376 10.410 3.470 1.00 0.00 O ATOM 902 OE2 GLU A 62 -12.424 11.418 3.529 1.00 0.00 O ATOM 0 H GLU A 62 -10.627 6.243 3.101 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.481 6.743 3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.097 8.261 2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.654 8.704 1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.106 8.509 4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.536 9.274 4.496 1.00 0.00 H new ATOM 909 N PRO A 63 -14.302 6.653 1.047 1.00 0.00 N ATOM 910 CA PRO A 63 -14.850 6.225 -0.245 1.00 0.00 C ATOM 911 C PRO A 63 -13.947 6.600 -1.414 1.00 0.00 C ATOM 912 O PRO A 63 -13.399 7.701 -1.461 1.00 0.00 O ATOM 913 CB PRO A 63 -16.180 6.980 -0.341 1.00 0.00 C ATOM 914 CG PRO A 63 -16.540 7.303 1.067 1.00 0.00 C ATOM 915 CD PRO A 63 -15.237 7.523 1.783 1.00 0.00 C ATOM 0 HA PRO A 63 -14.953 5.141 -0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -16.078 7.885 -0.940 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.948 6.369 -0.815 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.168 8.193 1.116 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.104 6.489 1.523 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.929 8.568 1.748 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.303 7.246 2.835 1.00 0.00 H new ATOM 923 N LEU A 64 -13.802 5.677 -2.361 1.00 0.00 N ATOM 924 CA LEU A 64 -12.972 5.908 -3.537 1.00 0.00 C ATOM 925 C LEU A 64 -11.575 6.386 -3.150 1.00 0.00 C ATOM 926 O LEU A 64 -10.919 7.097 -3.910 1.00 0.00 O ATOM 927 CB LEU A 64 -13.639 6.934 -4.453 1.00 0.00 C ATOM 928 CG LEU A 64 -14.928 6.460 -5.127 1.00 0.00 C ATOM 929 CD1 LEU A 64 -15.896 7.620 -5.303 1.00 0.00 C ATOM 930 CD2 LEU A 64 -14.619 5.812 -6.467 1.00 0.00 C ATOM 0 H LEU A 64 -14.250 4.761 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.868 4.961 -4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.859 7.829 -3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.928 7.224 -5.227 1.00 0.00 H new ATOM 0 HG LEU A 64 -15.400 5.715 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -16.807 7.264 -5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.141 8.041 -4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -15.434 8.388 -5.924 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.547 5.480 -6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.125 6.535 -7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.963 4.955 -6.314 1.00 0.00 H new ATOM 942 N LYS A 65 -11.125 5.990 -1.963 1.00 0.00 N ATOM 943 CA LYS A 65 -9.804 6.378 -1.479 1.00 0.00 C ATOM 944 C LYS A 65 -8.967 5.148 -1.138 1.00 0.00 C ATOM 945 O LYS A 65 -8.129 5.184 -0.238 1.00 0.00 O ATOM 946 CB LYS A 65 -9.933 7.283 -0.251 1.00 0.00 C ATOM 947 CG LYS A 65 -9.838 8.765 -0.577 1.00 0.00 C ATOM 948 CD LYS A 65 -9.233 9.550 0.576 1.00 0.00 C ATOM 949 CE LYS A 65 -9.639 11.013 0.527 1.00 0.00 C ATOM 950 NZ LYS A 65 -8.921 11.824 1.549 1.00 0.00 N ATOM 0 H LYS A 65 -11.654 5.402 -1.320 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.299 6.928 -2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.888 7.087 0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.152 7.026 0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.231 8.904 -1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.831 9.154 -0.802 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.553 9.114 1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.146 9.471 0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.432 11.414 -0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.714 11.097 0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.226 12.816 1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.138 11.458 2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.896 11.765 1.382 1.00 0.00 H new ATOM 964 N GLY A 66 -9.201 4.062 -1.867 1.00 0.00 N ATOM 965 CA GLY A 66 -8.462 2.836 -1.629 1.00 0.00 C ATOM 966 C GLY A 66 -8.417 1.939 -2.851 1.00 0.00 C ATOM 967 O GLY A 66 -9.452 1.633 -3.443 1.00 0.00 O ATOM 0 H GLY A 66 -9.889 4.009 -2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.445 3.082 -1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.920 2.294 -0.801 1.00 0.00 H new ATOM 971 N ILE A 67 -7.215 1.518 -3.229 1.00 0.00 N ATOM 972 CA ILE A 67 -7.038 0.653 -4.389 1.00 0.00 C ATOM 973 C ILE A 67 -6.091 -0.502 -4.073 1.00 0.00 C ATOM 974 O ILE A 67 -5.286 -0.420 -3.145 1.00 0.00 O ATOM 975 CB ILE A 67 -6.496 1.440 -5.600 1.00 0.00 C ATOM 976 CG1 ILE A 67 -6.402 0.533 -6.829 1.00 0.00 C ATOM 977 CG2 ILE A 67 -5.140 2.050 -5.277 1.00 0.00 C ATOM 978 CD1 ILE A 67 -6.335 1.293 -8.136 1.00 0.00 C ATOM 0 H ILE A 67 -6.349 1.762 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 67 -8.020 0.252 -4.640 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.190 2.250 -5.824 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.517 -0.098 -6.739 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.266 -0.131 -6.848 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.773 2.601 -6.143 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.239 2.729 -4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.435 1.257 -5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.270 0.587 -8.964 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.231 1.903 -8.249 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.455 1.937 -8.138 1.00 0.00 H new ATOM 990 N PHE A 68 -6.193 -1.574 -4.851 1.00 0.00 N ATOM 991 CA PHE A 68 -5.345 -2.744 -4.655 1.00 0.00 C ATOM 992 C PHE A 68 -4.387 -2.925 -5.827 1.00 0.00 C ATOM 993 O PHE A 68 -4.793 -2.871 -6.989 1.00 0.00 O ATOM 994 CB PHE A 68 -6.204 -3.999 -4.485 1.00 0.00 C ATOM 995 CG PHE A 68 -6.711 -4.194 -3.085 1.00 0.00 C ATOM 996 CD1 PHE A 68 -5.845 -4.559 -2.066 1.00 0.00 C ATOM 997 CD2 PHE A 68 -8.052 -4.013 -2.788 1.00 0.00 C ATOM 998 CE1 PHE A 68 -6.309 -4.738 -0.775 1.00 0.00 C ATOM 999 CE2 PHE A 68 -8.521 -4.191 -1.500 1.00 0.00 C ATOM 1000 CZ PHE A 68 -7.648 -4.553 -0.492 1.00 0.00 C ATOM 0 H PHE A 68 -6.854 -1.657 -5.623 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.757 -2.588 -3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.053 -3.943 -5.166 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.619 -4.872 -4.776 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.797 -4.705 -2.282 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.739 -3.730 -3.572 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.625 -5.022 0.011 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -9.569 -4.047 -1.282 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.012 -4.691 0.515 1.00 0.00 H new ATOM 1010 N THR A 69 -3.113 -3.141 -5.516 1.00 0.00 N ATOM 1011 CA THR A 69 -2.096 -3.331 -6.545 1.00 0.00 C ATOM 1012 C THR A 69 -0.952 -4.195 -6.023 1.00 0.00 C ATOM 1013 O THR A 69 -0.927 -4.567 -4.851 1.00 0.00 O ATOM 1014 CB THR A 69 -1.556 -1.978 -7.014 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.513 -2.155 -7.955 1.00 0.00 O ATOM 1016 CG2 THR A 69 -1.019 -1.124 -5.887 1.00 0.00 C ATOM 0 H THR A 69 -2.760 -3.189 -4.560 1.00 0.00 H new ATOM 0 HA THR A 69 -2.559 -3.842 -7.390 1.00 0.00 H new ATOM 0 HB THR A 69 -2.408 -1.465 -7.460 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.857 -2.634 -8.738 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.652 -0.180 -6.289 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.815 -0.928 -5.168 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.203 -1.648 -5.390 1.00 0.00 H new ATOM 1024 N ARG A 70 -0.007 -4.509 -6.903 1.00 0.00 N ATOM 1025 CA ARG A 70 1.140 -5.329 -6.530 1.00 0.00 C ATOM 1026 C ARG A 70 2.212 -4.484 -5.841 1.00 0.00 C ATOM 1027 O ARG A 70 2.574 -3.413 -6.329 1.00 0.00 O ATOM 1028 CB ARG A 70 1.729 -6.011 -7.766 1.00 0.00 C ATOM 1029 CG ARG A 70 0.748 -6.925 -8.482 1.00 0.00 C ATOM 1030 CD ARG A 70 1.438 -8.163 -9.032 1.00 0.00 C ATOM 1031 NE ARG A 70 0.491 -9.094 -9.642 1.00 0.00 N ATOM 1032 CZ ARG A 70 0.840 -10.256 -10.189 1.00 0.00 C ATOM 1033 NH1 ARG A 70 2.113 -10.634 -10.204 1.00 0.00 N ATOM 1034 NH2 ARG A 70 -0.085 -11.042 -10.721 1.00 0.00 N ATOM 0 H ARG A 70 -0.013 -4.209 -7.878 1.00 0.00 H new ATOM 0 HA ARG A 70 0.798 -6.092 -5.831 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.075 -5.247 -8.462 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.603 -6.591 -7.469 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.042 -7.224 -7.793 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.271 -6.381 -9.297 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.181 -7.865 -9.772 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.974 -8.667 -8.227 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.496 -8.838 -9.649 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.828 -10.033 -9.795 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.375 -11.526 -10.624 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.064 -10.756 -10.711 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.182 -11.933 -11.140 1.00 0.00 H new ATOM 1048 N PRO A 71 2.737 -4.952 -4.693 1.00 0.00 N ATOM 1049 CA PRO A 71 3.770 -4.225 -3.947 1.00 0.00 C ATOM 1050 C PRO A 71 4.994 -3.919 -4.804 1.00 0.00 C ATOM 1051 O PRO A 71 5.586 -2.845 -4.699 1.00 0.00 O ATOM 1052 CB PRO A 71 4.143 -5.183 -2.813 1.00 0.00 C ATOM 1053 CG PRO A 71 2.963 -6.079 -2.660 1.00 0.00 C ATOM 1054 CD PRO A 71 2.369 -6.218 -4.033 1.00 0.00 C ATOM 0 HA PRO A 71 3.410 -3.256 -3.600 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.041 -5.751 -3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.349 -4.641 -1.890 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.259 -7.050 -2.263 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.240 -5.656 -1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.776 -7.080 -4.562 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.288 -6.350 -3.992 1.00 0.00 H new ATOM 1062 N SER A 72 5.370 -4.874 -5.650 1.00 0.00 N ATOM 1063 CA SER A 72 6.526 -4.709 -6.525 1.00 0.00 C ATOM 1064 C SER A 72 6.367 -3.481 -7.416 1.00 0.00 C ATOM 1065 O SER A 72 7.348 -2.823 -7.763 1.00 0.00 O ATOM 1066 CB SER A 72 6.720 -5.957 -7.386 1.00 0.00 C ATOM 1067 OG SER A 72 7.226 -7.036 -6.619 1.00 0.00 O ATOM 0 H SER A 72 4.891 -5.769 -5.748 1.00 0.00 H new ATOM 0 HA SER A 72 7.406 -4.566 -5.898 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.769 -6.242 -7.837 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.406 -5.735 -8.203 1.00 0.00 H new ATOM 0 HG SER A 72 7.339 -7.822 -7.194 1.00 0.00 H new ATOM 1073 N LYS A 73 5.126 -3.178 -7.782 1.00 0.00 N ATOM 1074 CA LYS A 73 4.841 -2.029 -8.633 1.00 0.00 C ATOM 1075 C LYS A 73 5.065 -0.722 -7.878 1.00 0.00 C ATOM 1076 O LYS A 73 5.430 0.294 -8.470 1.00 0.00 O ATOM 1077 CB LYS A 73 3.401 -2.093 -9.146 1.00 0.00 C ATOM 1078 CG LYS A 73 3.232 -2.974 -10.374 1.00 0.00 C ATOM 1079 CD LYS A 73 3.482 -2.198 -11.659 1.00 0.00 C ATOM 1080 CE LYS A 73 4.525 -2.879 -12.531 1.00 0.00 C ATOM 1081 NZ LYS A 73 4.374 -2.516 -13.966 1.00 0.00 N ATOM 0 H LYS A 73 4.303 -3.711 -7.503 1.00 0.00 H new ATOM 0 HA LYS A 73 5.525 -2.059 -9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.757 -2.466 -8.350 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.063 -1.084 -9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.922 -3.816 -10.316 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.224 -3.389 -10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.549 -2.103 -12.214 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.813 -1.188 -11.416 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.522 -2.600 -12.189 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.441 -3.960 -12.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.104 -3.001 -14.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.433 -2.805 -14.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.480 -1.487 -14.077 1.00 0.00 H new ATOM 1095 N LEU A 74 4.845 -0.757 -6.568 1.00 0.00 N ATOM 1096 CA LEU A 74 5.023 0.426 -5.732 1.00 0.00 C ATOM 1097 C LEU A 74 6.497 0.809 -5.638 1.00 0.00 C ATOM 1098 O LEU A 74 7.371 -0.054 -5.578 1.00 0.00 O ATOM 1099 CB LEU A 74 4.460 0.175 -4.331 1.00 0.00 C ATOM 1100 CG LEU A 74 3.067 -0.455 -4.297 1.00 0.00 C ATOM 1101 CD1 LEU A 74 2.577 -0.592 -2.863 1.00 0.00 C ATOM 1102 CD2 LEU A 74 2.089 0.371 -5.119 1.00 0.00 C ATOM 0 H LEU A 74 4.544 -1.590 -6.062 1.00 0.00 H new ATOM 0 HA LEU A 74 4.480 1.251 -6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.149 -0.474 -3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.427 1.123 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 74 3.129 -1.451 -4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.584 -1.042 -2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.265 -1.225 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.530 0.393 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.103 -0.092 -5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.031 1.380 -4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.431 0.418 -6.153 1.00 0.00 H new ATOM 1114 N THR A 75 6.763 2.112 -5.623 1.00 0.00 N ATOM 1115 CA THR A 75 8.130 2.612 -5.535 1.00 0.00 C ATOM 1116 C THR A 75 8.285 3.567 -4.356 1.00 0.00 C ATOM 1117 O THR A 75 7.317 3.867 -3.657 1.00 0.00 O ATOM 1118 CB THR A 75 8.522 3.319 -6.834 1.00 0.00 C ATOM 1119 OG1 THR A 75 9.803 3.911 -6.715 1.00 0.00 O ATOM 1120 CG2 THR A 75 7.550 4.404 -7.242 1.00 0.00 C ATOM 0 H THR A 75 6.050 2.840 -5.671 1.00 0.00 H new ATOM 0 HA THR A 75 8.792 1.760 -5.379 1.00 0.00 H new ATOM 0 HB THR A 75 8.515 2.543 -7.599 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.474 3.212 -6.565 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.887 4.864 -8.171 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.561 3.970 -7.391 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.500 5.161 -6.459 1.00 0.00 H new ATOM 1128 N ARG A 76 9.507 4.038 -4.139 1.00 0.00 N ATOM 1129 CA ARG A 76 9.788 4.959 -3.043 1.00 0.00 C ATOM 1130 C ARG A 76 10.033 6.371 -3.566 1.00 0.00 C ATOM 1131 O ARG A 76 11.128 6.690 -4.030 1.00 0.00 O ATOM 1132 CB ARG A 76 11.002 4.478 -2.244 1.00 0.00 C ATOM 1133 CG ARG A 76 10.635 3.712 -0.984 1.00 0.00 C ATOM 1134 CD ARG A 76 11.873 3.210 -0.258 1.00 0.00 C ATOM 1135 NE ARG A 76 11.635 1.934 0.413 1.00 0.00 N ATOM 1136 CZ ARG A 76 10.831 1.788 1.465 1.00 0.00 C ATOM 1137 NH1 ARG A 76 10.190 2.834 1.969 1.00 0.00 N ATOM 1138 NH2 ARG A 76 10.670 0.592 2.014 1.00 0.00 N ATOM 0 H ARG A 76 10.319 3.798 -4.707 1.00 0.00 H new ATOM 0 HA ARG A 76 8.917 4.982 -2.388 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.617 3.841 -2.880 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.612 5.339 -1.971 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.058 4.356 -0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.996 2.868 -1.243 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.690 3.098 -0.970 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.189 3.952 0.475 1.00 0.00 H new ATOM 0 HE ARG A 76 12.112 1.107 0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.311 3.756 1.551 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.576 2.716 2.775 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.162 -0.215 1.631 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.055 0.479 2.820 1.00 0.00 H new ATOM 1152 N LYS A 77 9.007 7.212 -3.485 1.00 0.00 N ATOM 1153 CA LYS A 77 9.111 8.592 -3.948 1.00 0.00 C ATOM 1154 C LYS A 77 9.475 8.644 -5.429 1.00 0.00 C ATOM 1155 O LYS A 77 9.439 7.628 -6.124 1.00 0.00 O ATOM 1156 CB LYS A 77 10.155 9.350 -3.124 1.00 0.00 C ATOM 1157 CG LYS A 77 9.653 10.681 -2.585 1.00 0.00 C ATOM 1158 CD LYS A 77 10.725 11.756 -2.668 1.00 0.00 C ATOM 1159 CE LYS A 77 11.474 11.897 -1.353 1.00 0.00 C ATOM 1160 NZ LYS A 77 11.868 13.308 -1.085 1.00 0.00 N ATOM 0 H LYS A 77 8.095 6.963 -3.103 1.00 0.00 H new ATOM 0 HA LYS A 77 8.139 9.068 -3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.471 8.725 -2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.036 9.526 -3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.776 10.996 -3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.338 10.559 -1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.428 11.510 -3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.267 12.709 -2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.848 11.534 -0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.365 11.269 -1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.376 13.360 -0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.487 13.647 -1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.017 13.903 -1.039 1.00 0.00 H new