USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 674 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 6 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 59 THR OG1 : rot -31:sc= 0.0525 USER MOD Set 1.3: A 74 LYS NZ :NH3+ -145:sc= 0.0336 (180deg=-0.121) USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0.452 USER MOD Set 2.2: A 43 SER OG : rot -112:sc= 0.489 USER MOD Set 3.1: A 9 THR OG1 : rot -36:sc= 1.71 USER MOD Set 3.2: A 13 THR OG1 : rot 119:sc= 1.32 USER MOD Single : A 0 PHE N :NH3+ -147:sc= 0.881 (180deg=0.0375) USER MOD Single : A 1 MET CE :methyl -176:sc=-0.00284 (180deg=-0.0391) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0154 K(o=-0.015,f=-0.9) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc=-0.00324 K(o=-0.0032,f=-0.74) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0.059) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -8:sc= 0.923 USER MOD Single : A 33 GLN : amide:sc= 0.532 K(o=0.53,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -110:sc= -0.348 (180deg=-2.67!) USER MOD Single : A 49 CYS SG : rot 160:sc= -0.338 USER MOD Single : A 52 LYS NZ :NH3+ -127:sc= 0.948 (180deg=-0.815) USER MOD Single : A 61 MET CE :methyl 168:sc= 0 (180deg=-0.217) USER MOD Single : A 69 GLN :FLIP amide:sc= -2.16! C(o=-3!,f=-2.2!) USER MOD Single : A 70 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.036) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.632 K(o=-0.63,f=-10!) USER MOD Single : A 82 GLN : amide:sc= 0.301 K(o=0.3,f=-3.6!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 120:sc= -0.191 USER MOD Single : A 92 LYS NZ :NH3+ -178:sc= 0.861 (180deg=0.86) USER MOD ----------------------------------------------------------------- ATOM 90 N PHE A 0 -7.202 9.056 4.863 1.00 0.00 N ATOM 91 CA PHE A 0 -5.796 9.414 4.886 1.00 0.00 C ATOM 92 C PHE A 0 -4.994 8.428 5.734 1.00 0.00 C ATOM 93 O PHE A 0 -5.303 8.188 6.901 1.00 0.00 O ATOM 94 CB PHE A 0 -5.615 10.852 5.385 1.00 0.00 C ATOM 95 CG PHE A 0 -6.084 11.101 6.790 1.00 0.00 C ATOM 96 CD1 PHE A 0 -7.429 11.268 7.065 1.00 0.00 C ATOM 97 CD2 PHE A 0 -5.175 11.183 7.829 1.00 0.00 C ATOM 98 CE1 PHE A 0 -7.862 11.510 8.353 1.00 0.00 C ATOM 99 CE2 PHE A 0 -5.600 11.424 9.122 1.00 0.00 C ATOM 100 CZ PHE A 0 -6.947 11.589 9.384 1.00 0.00 C ATOM 0 H1 PHE A 0 -7.611 9.314 3.942 1.00 0.00 H new ATOM 0 H2 PHE A 0 -7.302 8.032 5.012 1.00 0.00 H new ATOM 0 H3 PHE A 0 -7.702 9.566 5.619 1.00 0.00 H new ATOM 0 HA PHE A 0 -5.412 9.360 3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 0 -4.559 11.113 5.319 1.00 0.00 H new ATOM 0 HB3 PHE A 0 -6.152 11.523 4.715 1.00 0.00 H new ATOM 0 HD1 PHE A 0 -8.149 11.208 6.262 1.00 0.00 H new ATOM 0 HD2 PHE A 0 -4.121 11.057 7.628 1.00 0.00 H new ATOM 0 HE1 PHE A 0 -8.915 11.637 8.554 1.00 0.00 H new ATOM 0 HE2 PHE A 0 -4.881 11.483 9.926 1.00 0.00 H new ATOM 0 HZ PHE A 0 -7.283 11.779 10.393 1.00 0.00 H new ATOM 110 N MET A 1 -3.993 7.827 5.113 1.00 0.00 N ATOM 111 CA MET A 1 -3.116 6.879 5.788 1.00 0.00 C ATOM 112 C MET A 1 -1.678 7.077 5.318 1.00 0.00 C ATOM 113 O MET A 1 -1.450 7.396 4.155 1.00 0.00 O ATOM 114 CB MET A 1 -3.582 5.446 5.503 1.00 0.00 C ATOM 115 CG MET A 1 -2.694 4.373 6.109 1.00 0.00 C ATOM 116 SD MET A 1 -2.564 4.498 7.901 1.00 0.00 S ATOM 117 CE MET A 1 -1.393 3.186 8.235 1.00 0.00 C ATOM 0 H MET A 1 -3.764 7.980 4.131 1.00 0.00 H new ATOM 0 HA MET A 1 -3.157 7.052 6.863 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.595 5.322 5.885 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.628 5.298 4.424 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.088 3.391 5.846 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.698 4.444 5.672 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.258 3.084 9.312 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.770 2.249 7.826 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.436 3.425 7.770 1.00 0.00 H new ATOM 127 N GLU A 2 -0.716 6.899 6.212 1.00 0.00 N ATOM 128 CA GLU A 2 0.691 7.028 5.847 1.00 0.00 C ATOM 129 C GLU A 2 1.557 6.127 6.718 1.00 0.00 C ATOM 130 O GLU A 2 1.181 5.790 7.841 1.00 0.00 O ATOM 131 CB GLU A 2 1.150 8.489 5.958 1.00 0.00 C ATOM 132 CG GLU A 2 1.072 9.066 7.364 1.00 0.00 C ATOM 133 CD GLU A 2 1.473 10.528 7.413 1.00 0.00 C ATOM 134 OE1 GLU A 2 2.671 10.832 7.234 1.00 0.00 O ATOM 135 OE2 GLU A 2 0.589 11.384 7.628 1.00 0.00 O ATOM 0 H GLU A 2 -0.881 6.666 7.191 1.00 0.00 H new ATOM 0 HA GLU A 2 0.803 6.713 4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.179 8.562 5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.540 9.100 5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.055 8.958 7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.721 8.492 8.026 1.00 0.00 H new ATOM 142 N GLY A 3 2.700 5.719 6.186 1.00 0.00 N ATOM 143 CA GLY A 3 3.620 4.889 6.937 1.00 0.00 C ATOM 144 C GLY A 3 4.609 4.185 6.035 1.00 0.00 C ATOM 145 O GLY A 3 4.790 4.577 4.882 1.00 0.00 O ATOM 0 H GLY A 3 3.008 5.950 5.241 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.159 5.505 7.657 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.059 4.149 7.508 1.00 0.00 H new ATOM 149 N VAL A 4 5.231 3.133 6.542 1.00 0.00 N ATOM 150 CA VAL A 4 6.293 2.463 5.807 1.00 0.00 C ATOM 151 C VAL A 4 5.953 0.995 5.574 1.00 0.00 C ATOM 152 O VAL A 4 5.504 0.300 6.488 1.00 0.00 O ATOM 153 CB VAL A 4 7.641 2.563 6.557 1.00 0.00 C ATOM 154 CG1 VAL A 4 8.792 2.378 5.608 1.00 0.00 C ATOM 155 CG2 VAL A 4 7.753 3.884 7.301 1.00 0.00 C ATOM 0 H VAL A 4 5.021 2.726 7.454 1.00 0.00 H new ATOM 0 HA VAL A 4 6.386 2.966 4.844 1.00 0.00 H new ATOM 0 HB VAL A 4 7.679 1.762 7.295 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.731 2.452 6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.722 1.397 5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.758 3.151 4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.710 3.929 7.820 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.686 4.708 6.591 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.943 3.963 8.026 1.00 0.00 H new ATOM 165 N LEU A 5 6.158 0.535 4.344 1.00 0.00 N ATOM 166 CA LEU A 5 5.907 -0.859 3.992 1.00 0.00 C ATOM 167 C LEU A 5 7.186 -1.510 3.484 1.00 0.00 C ATOM 168 O LEU A 5 8.076 -0.833 2.954 1.00 0.00 O ATOM 169 CB LEU A 5 4.820 -0.995 2.908 1.00 0.00 C ATOM 170 CG LEU A 5 3.367 -0.713 3.327 1.00 0.00 C ATOM 171 CD1 LEU A 5 2.989 -1.483 4.587 1.00 0.00 C ATOM 172 CD2 LEU A 5 3.132 0.774 3.510 1.00 0.00 C ATOM 0 H LEU A 5 6.498 1.109 3.572 1.00 0.00 H new ATOM 0 HA LEU A 5 5.558 -1.358 4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.072 -0.320 2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.866 -2.009 2.510 1.00 0.00 H new ATOM 0 HG LEU A 5 2.721 -1.062 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.956 -1.260 4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.094 -2.553 4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.647 -1.188 5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.097 0.945 3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.798 1.155 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.331 1.292 2.572 1.00 0.00 H new ATOM 184 N TYR A 6 7.275 -2.822 3.662 1.00 0.00 N ATOM 185 CA TYR A 6 8.399 -3.600 3.155 1.00 0.00 C ATOM 186 C TYR A 6 8.325 -3.716 1.639 1.00 0.00 C ATOM 187 O TYR A 6 7.588 -4.548 1.108 1.00 0.00 O ATOM 188 CB TYR A 6 8.419 -5.012 3.759 1.00 0.00 C ATOM 189 CG TYR A 6 8.727 -5.086 5.246 1.00 0.00 C ATOM 190 CD1 TYR A 6 8.079 -4.271 6.168 1.00 0.00 C ATOM 191 CD2 TYR A 6 9.653 -6.002 5.725 1.00 0.00 C ATOM 192 CE1 TYR A 6 8.345 -4.366 7.518 1.00 0.00 C ATOM 193 CE2 TYR A 6 9.929 -6.099 7.075 1.00 0.00 C ATOM 194 CZ TYR A 6 9.270 -5.280 7.965 1.00 0.00 C ATOM 195 OH TYR A 6 9.524 -5.383 9.311 1.00 0.00 O ATOM 0 H TYR A 6 6.575 -3.374 4.158 1.00 0.00 H new ATOM 0 HA TYR A 6 9.311 -3.078 3.443 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.449 -5.477 3.584 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.159 -5.607 3.223 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.354 -3.550 5.820 1.00 0.00 H new ATOM 0 HD2 TYR A 6 10.167 -6.650 5.030 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.830 -3.727 8.220 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.657 -6.813 7.431 1.00 0.00 H new ATOM 0 HH TYR A 6 10.201 -6.075 9.464 1.00 0.00 H new ATOM 205 N LYS A 7 9.083 -2.882 0.951 1.00 0.00 N ATOM 206 CA LYS A 7 9.138 -2.926 -0.499 1.00 0.00 C ATOM 207 C LYS A 7 10.371 -3.694 -0.951 1.00 0.00 C ATOM 208 O LYS A 7 11.504 -3.290 -0.689 1.00 0.00 O ATOM 209 CB LYS A 7 9.140 -1.503 -1.080 1.00 0.00 C ATOM 210 CG LYS A 7 9.494 -1.422 -2.562 1.00 0.00 C ATOM 211 CD LYS A 7 8.497 -2.167 -3.441 1.00 0.00 C ATOM 212 CE LYS A 7 8.914 -2.116 -4.906 1.00 0.00 C ATOM 213 NZ LYS A 7 8.000 -2.901 -5.783 1.00 0.00 N ATOM 0 H LYS A 7 9.671 -2.164 1.374 1.00 0.00 H new ATOM 0 HA LYS A 7 8.252 -3.442 -0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.154 -1.063 -0.931 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.849 -0.896 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.532 -0.376 -2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.491 -1.835 -2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.425 -3.205 -3.116 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.506 -1.727 -3.326 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.932 -1.079 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.929 -2.501 -5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.324 -2.836 -6.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.001 -3.897 -5.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.036 -2.519 -5.710 1.00 0.00 H new ATOM 227 N TRP A 8 10.135 -4.817 -1.609 1.00 0.00 N ATOM 228 CA TRP A 8 11.211 -5.620 -2.166 1.00 0.00 C ATOM 229 C TRP A 8 11.819 -4.913 -3.373 1.00 0.00 C ATOM 230 O TRP A 8 11.093 -4.383 -4.218 1.00 0.00 O ATOM 231 CB TRP A 8 10.687 -7.008 -2.560 1.00 0.00 C ATOM 232 CG TRP A 8 11.716 -7.856 -3.250 1.00 0.00 C ATOM 233 CD1 TRP A 8 11.840 -8.060 -4.595 1.00 0.00 C ATOM 234 CD2 TRP A 8 12.772 -8.605 -2.632 1.00 0.00 C ATOM 235 NE1 TRP A 8 12.905 -8.887 -4.849 1.00 0.00 N ATOM 236 CE2 TRP A 8 13.492 -9.235 -3.663 1.00 0.00 C ATOM 237 CE3 TRP A 8 13.180 -8.801 -1.308 1.00 0.00 C ATOM 238 CZ2 TRP A 8 14.592 -10.049 -3.413 1.00 0.00 C ATOM 239 CZ3 TRP A 8 14.274 -9.610 -1.060 1.00 0.00 C ATOM 240 CH2 TRP A 8 14.970 -10.223 -2.109 1.00 0.00 C ATOM 0 H TRP A 8 9.202 -5.195 -1.771 1.00 0.00 H new ATOM 0 HA TRP A 8 11.987 -5.747 -1.411 1.00 0.00 H new ATOM 0 HB2 TRP A 8 10.340 -7.525 -1.666 1.00 0.00 H new ATOM 0 HB3 TRP A 8 9.824 -6.891 -3.215 1.00 0.00 H new ATOM 0 HD1 TRP A 8 11.194 -7.633 -5.348 1.00 0.00 H new ATOM 0 HE1 TRP A 8 13.210 -9.193 -5.773 1.00 0.00 H new ATOM 0 HE3 TRP A 8 12.650 -8.329 -0.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.129 -10.527 -4.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 14.596 -9.771 -0.042 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.823 -10.846 -1.885 1.00 0.00 H new ATOM 251 N THR A 9 13.146 -4.894 -3.434 1.00 0.00 N ATOM 252 CA THR A 9 13.849 -4.237 -4.524 1.00 0.00 C ATOM 253 C THR A 9 14.576 -5.259 -5.398 1.00 0.00 C ATOM 254 O THR A 9 14.040 -5.723 -6.401 1.00 0.00 O ATOM 255 CB THR A 9 14.846 -3.183 -3.994 1.00 0.00 C ATOM 256 OG1 THR A 9 15.674 -3.745 -2.962 1.00 0.00 O ATOM 257 CG2 THR A 9 14.106 -1.973 -3.447 1.00 0.00 C ATOM 0 H THR A 9 13.755 -5.327 -2.740 1.00 0.00 H new ATOM 0 HA THR A 9 13.104 -3.725 -5.133 1.00 0.00 H new ATOM 0 HB THR A 9 15.476 -2.869 -4.826 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.148 -4.377 -2.429 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.826 -1.242 -3.079 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.507 -1.524 -4.239 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.454 -2.284 -2.630 1.00 0.00 H new ATOM 265 N ASN A 10 15.787 -5.618 -4.992 1.00 0.00 N ATOM 266 CA ASN A 10 16.573 -6.633 -5.682 1.00 0.00 C ATOM 267 C ASN A 10 17.124 -7.616 -4.662 1.00 0.00 C ATOM 268 O ASN A 10 16.939 -7.416 -3.463 1.00 0.00 O ATOM 269 CB ASN A 10 17.722 -6.001 -6.473 1.00 0.00 C ATOM 270 CG ASN A 10 17.262 -5.264 -7.717 1.00 0.00 C ATOM 271 OD1 ASN A 10 16.290 -5.647 -8.365 1.00 0.00 O ATOM 272 ND2 ASN A 10 17.964 -4.196 -8.054 1.00 0.00 N ATOM 0 H ASN A 10 16.251 -5.215 -4.178 1.00 0.00 H new ATOM 0 HA ASN A 10 15.927 -7.154 -6.389 1.00 0.00 H new ATOM 0 HB2 ASN A 10 18.260 -5.308 -5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.427 -6.781 -6.761 1.00 0.00 H new ATOM 0 HD21 ASN A 10 17.706 -3.656 -8.880 1.00 0.00 H new ATOM 0 HD22 ASN A 10 18.764 -3.912 -7.488 1.00 0.00 H new ATOM 279 N TYR A 11 17.819 -8.653 -5.104 1.00 0.00 N ATOM 280 CA TYR A 11 18.298 -9.666 -4.169 1.00 0.00 C ATOM 281 C TYR A 11 19.501 -9.164 -3.365 1.00 0.00 C ATOM 282 O TYR A 11 19.673 -9.534 -2.205 1.00 0.00 O ATOM 283 CB TYR A 11 18.618 -10.991 -4.886 1.00 0.00 C ATOM 284 CG TYR A 11 19.730 -10.926 -5.914 1.00 0.00 C ATOM 285 CD1 TYR A 11 19.482 -10.503 -7.215 1.00 0.00 C ATOM 286 CD2 TYR A 11 21.024 -11.313 -5.589 1.00 0.00 C ATOM 287 CE1 TYR A 11 20.492 -10.461 -8.155 1.00 0.00 C ATOM 288 CE2 TYR A 11 22.037 -11.270 -6.522 1.00 0.00 C ATOM 289 CZ TYR A 11 21.767 -10.847 -7.804 1.00 0.00 C ATOM 290 OH TYR A 11 22.775 -10.809 -8.737 1.00 0.00 O ATOM 0 H TYR A 11 18.061 -8.816 -6.081 1.00 0.00 H new ATOM 0 HA TYR A 11 17.491 -9.862 -3.463 1.00 0.00 H new ATOM 0 HB2 TYR A 11 18.884 -11.735 -4.135 1.00 0.00 H new ATOM 0 HB3 TYR A 11 17.712 -11.345 -5.378 1.00 0.00 H new ATOM 0 HD1 TYR A 11 18.483 -10.202 -7.495 1.00 0.00 H new ATOM 0 HD2 TYR A 11 21.240 -11.654 -4.587 1.00 0.00 H new ATOM 0 HE1 TYR A 11 20.284 -10.127 -9.161 1.00 0.00 H new ATOM 0 HE2 TYR A 11 23.039 -11.567 -6.249 1.00 0.00 H new ATOM 0 HH TYR A 11 23.612 -11.112 -8.327 1.00 0.00 H new ATOM 300 N LEU A 12 20.321 -8.311 -3.974 1.00 0.00 N ATOM 301 CA LEU A 12 21.496 -7.774 -3.290 1.00 0.00 C ATOM 302 C LEU A 12 21.103 -6.752 -2.228 1.00 0.00 C ATOM 303 O LEU A 12 21.667 -6.733 -1.135 1.00 0.00 O ATOM 304 CB LEU A 12 22.459 -7.131 -4.291 1.00 0.00 C ATOM 305 CG LEU A 12 23.169 -8.106 -5.233 1.00 0.00 C ATOM 306 CD1 LEU A 12 24.045 -7.353 -6.221 1.00 0.00 C ATOM 307 CD2 LEU A 12 24.002 -9.099 -4.439 1.00 0.00 C ATOM 0 H LEU A 12 20.196 -7.979 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 12 21.995 -8.609 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.905 -6.410 -4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 12 23.213 -6.572 -3.737 1.00 0.00 H new ATOM 0 HG LEU A 12 22.412 -8.655 -5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.541 -8.063 -6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.428 -6.677 -6.813 1.00 0.00 H new ATOM 0 HD13 LEU A 12 24.795 -6.778 -5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 12 24.500 -9.785 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.750 -8.562 -3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 12 23.354 -9.663 -3.768 1.00 0.00 H new ATOM 319 N THR A 13 20.136 -5.910 -2.553 1.00 0.00 N ATOM 320 CA THR A 13 19.708 -4.858 -1.645 1.00 0.00 C ATOM 321 C THR A 13 18.660 -5.357 -0.656 1.00 0.00 C ATOM 322 O THR A 13 18.513 -4.808 0.440 1.00 0.00 O ATOM 323 CB THR A 13 19.146 -3.662 -2.429 1.00 0.00 C ATOM 324 OG1 THR A 13 18.289 -4.129 -3.479 1.00 0.00 O ATOM 325 CG2 THR A 13 20.268 -2.827 -3.018 1.00 0.00 C ATOM 0 H THR A 13 19.632 -5.934 -3.439 1.00 0.00 H new ATOM 0 HA THR A 13 20.587 -4.543 -1.082 1.00 0.00 H new ATOM 0 HB THR A 13 18.575 -3.038 -1.742 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.382 -3.785 -3.338 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.846 -1.986 -3.568 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.903 -2.453 -2.215 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.862 -3.441 -3.694 1.00 0.00 H new ATOM 333 N GLY A 14 17.938 -6.394 -1.050 1.00 0.00 N ATOM 334 CA GLY A 14 16.919 -6.960 -0.194 1.00 0.00 C ATOM 335 C GLY A 14 15.643 -6.142 -0.197 1.00 0.00 C ATOM 336 O GLY A 14 15.085 -5.839 -1.257 1.00 0.00 O ATOM 0 H GLY A 14 18.041 -6.856 -1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 14 16.697 -7.976 -0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.301 -7.029 0.825 1.00 0.00 H new ATOM 340 N TRP A 15 15.185 -5.772 0.986 1.00 0.00 N ATOM 341 CA TRP A 15 13.963 -5.001 1.114 1.00 0.00 C ATOM 342 C TRP A 15 14.293 -3.570 1.530 1.00 0.00 C ATOM 343 O TRP A 15 15.285 -3.334 2.219 1.00 0.00 O ATOM 344 CB TRP A 15 13.028 -5.661 2.139 1.00 0.00 C ATOM 345 CG TRP A 15 13.280 -5.237 3.556 1.00 0.00 C ATOM 346 CD1 TRP A 15 14.234 -5.709 4.415 1.00 0.00 C ATOM 347 CD2 TRP A 15 12.549 -4.246 4.274 1.00 0.00 C ATOM 348 NE1 TRP A 15 14.142 -5.052 5.622 1.00 0.00 N ATOM 349 CE2 TRP A 15 13.111 -4.149 5.559 1.00 0.00 C ATOM 350 CE3 TRP A 15 11.474 -3.426 3.945 1.00 0.00 C ATOM 351 CZ2 TRP A 15 12.626 -3.257 6.515 1.00 0.00 C ATOM 352 CZ3 TRP A 15 10.992 -2.548 4.889 1.00 0.00 C ATOM 353 CH2 TRP A 15 11.564 -2.465 6.160 1.00 0.00 C ATOM 0 H TRP A 15 15.641 -5.993 1.871 1.00 0.00 H new ATOM 0 HA TRP A 15 13.454 -4.974 0.151 1.00 0.00 H new ATOM 0 HB2 TRP A 15 11.996 -5.426 1.878 1.00 0.00 H new ATOM 0 HB3 TRP A 15 13.136 -6.743 2.070 1.00 0.00 H new ATOM 0 HD1 TRP A 15 14.952 -6.481 4.182 1.00 0.00 H new ATOM 0 HE1 TRP A 15 14.743 -5.211 6.431 1.00 0.00 H new ATOM 0 HE3 TRP A 15 11.025 -3.478 2.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 13.070 -3.192 7.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 10.155 -1.911 4.642 1.00 0.00 H new ATOM 0 HH2 TRP A 15 11.163 -1.764 6.877 1.00 0.00 H new ATOM 364 N GLN A 16 13.478 -2.624 1.099 1.00 0.00 N ATOM 365 CA GLN A 16 13.637 -1.233 1.501 1.00 0.00 C ATOM 366 C GLN A 16 12.305 -0.671 1.975 1.00 0.00 C ATOM 367 O GLN A 16 11.300 -0.764 1.269 1.00 0.00 O ATOM 368 CB GLN A 16 14.184 -0.387 0.347 1.00 0.00 C ATOM 369 CG GLN A 16 15.654 -0.626 0.058 1.00 0.00 C ATOM 370 CD GLN A 16 16.178 0.252 -1.058 1.00 0.00 C ATOM 371 OE1 GLN A 16 15.679 1.352 -1.291 1.00 0.00 O ATOM 372 NE2 GLN A 16 17.202 -0.223 -1.742 1.00 0.00 N ATOM 0 H GLN A 16 12.695 -2.792 0.467 1.00 0.00 H new ATOM 0 HA GLN A 16 14.354 -1.195 2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.607 -0.600 -0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.035 0.668 0.579 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.233 -0.441 0.963 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.803 -1.673 -0.208 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.585 -1.141 -1.515 1.00 0.00 H new ATOM 0 HE22 GLN A 16 17.610 0.328 -2.497 1.00 0.00 H new ATOM 381 N PRO A 17 12.264 -0.110 3.189 1.00 0.00 N ATOM 382 CA PRO A 17 11.045 0.483 3.726 1.00 0.00 C ATOM 383 C PRO A 17 10.714 1.803 3.036 1.00 0.00 C ATOM 384 O PRO A 17 11.283 2.852 3.351 1.00 0.00 O ATOM 385 CB PRO A 17 11.386 0.680 5.207 1.00 0.00 C ATOM 386 CG PRO A 17 12.853 0.923 5.198 1.00 0.00 C ATOM 387 CD PRO A 17 13.389 -0.009 4.145 1.00 0.00 C ATOM 0 HA PRO A 17 10.160 -0.134 3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.843 1.522 5.635 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.129 -0.199 5.798 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.081 1.962 4.960 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.295 0.715 6.173 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.287 0.389 3.672 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.653 -0.981 4.562 1.00 0.00 H new ATOM 395 N ARG A 18 9.799 1.739 2.081 1.00 0.00 N ATOM 396 CA ARG A 18 9.358 2.922 1.367 1.00 0.00 C ATOM 397 C ARG A 18 8.169 3.538 2.081 1.00 0.00 C ATOM 398 O ARG A 18 7.408 2.838 2.753 1.00 0.00 O ATOM 399 CB ARG A 18 8.985 2.574 -0.078 1.00 0.00 C ATOM 400 CG ARG A 18 10.181 2.264 -0.966 1.00 0.00 C ATOM 401 CD ARG A 18 11.015 3.508 -1.235 1.00 0.00 C ATOM 402 NE ARG A 18 10.289 4.497 -2.034 1.00 0.00 N ATOM 403 CZ ARG A 18 10.885 5.416 -2.794 1.00 0.00 C ATOM 404 NH1 ARG A 18 12.207 5.419 -2.922 1.00 0.00 N ATOM 405 NH2 ARG A 18 10.159 6.319 -3.445 1.00 0.00 N ATOM 0 H ARG A 18 9.347 0.875 1.783 1.00 0.00 H new ATOM 0 HA ARG A 18 10.176 3.642 1.345 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.316 1.714 -0.073 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.430 3.407 -0.510 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.802 1.505 -0.490 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.835 1.846 -1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 18 11.312 3.956 -0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.930 3.225 -1.754 1.00 0.00 H new ATOM 0 HE ARG A 18 9.269 4.482 -2.008 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.768 4.717 -2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.661 6.123 -3.504 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.142 6.310 -3.364 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.619 7.021 -4.026 1.00 0.00 H new ATOM 419 N TRP A 19 8.004 4.839 1.923 1.00 0.00 N ATOM 420 CA TRP A 19 6.943 5.556 2.601 1.00 0.00 C ATOM 421 C TRP A 19 5.731 5.636 1.690 1.00 0.00 C ATOM 422 O TRP A 19 5.789 6.223 0.614 1.00 0.00 O ATOM 423 CB TRP A 19 7.420 6.961 2.984 1.00 0.00 C ATOM 424 CG TRP A 19 6.445 7.714 3.837 1.00 0.00 C ATOM 425 CD1 TRP A 19 5.414 8.499 3.410 1.00 0.00 C ATOM 426 CD2 TRP A 19 6.419 7.759 5.267 1.00 0.00 C ATOM 427 NE1 TRP A 19 4.746 9.028 4.487 1.00 0.00 N ATOM 428 CE2 TRP A 19 5.346 8.589 5.639 1.00 0.00 C ATOM 429 CE3 TRP A 19 7.200 7.178 6.268 1.00 0.00 C ATOM 430 CZ2 TRP A 19 5.033 8.849 6.970 1.00 0.00 C ATOM 431 CZ3 TRP A 19 6.890 7.438 7.589 1.00 0.00 C ATOM 432 CH2 TRP A 19 5.814 8.266 7.929 1.00 0.00 C ATOM 0 H TRP A 19 8.594 5.421 1.329 1.00 0.00 H new ATOM 0 HA TRP A 19 6.669 5.026 3.514 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.369 6.881 3.515 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.611 7.531 2.075 1.00 0.00 H new ATOM 0 HD1 TRP A 19 5.160 8.678 2.376 1.00 0.00 H new ATOM 0 HE1 TRP A 19 3.936 9.646 4.438 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.031 6.537 6.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.204 9.488 7.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.488 6.995 8.372 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.596 8.448 8.971 1.00 0.00 H new ATOM 443 N PHE A 20 4.641 5.031 2.113 1.00 0.00 N ATOM 444 CA PHE A 20 3.433 4.997 1.307 1.00 0.00 C ATOM 445 C PHE A 20 2.344 5.837 1.956 1.00 0.00 C ATOM 446 O PHE A 20 2.303 5.976 3.180 1.00 0.00 O ATOM 447 CB PHE A 20 2.945 3.555 1.122 1.00 0.00 C ATOM 448 CG PHE A 20 3.862 2.689 0.299 1.00 0.00 C ATOM 449 CD1 PHE A 20 4.947 2.057 0.881 1.00 0.00 C ATOM 450 CD2 PHE A 20 3.632 2.500 -1.053 1.00 0.00 C ATOM 451 CE1 PHE A 20 5.783 1.252 0.134 1.00 0.00 C ATOM 452 CE2 PHE A 20 4.467 1.695 -1.808 1.00 0.00 C ATOM 453 CZ PHE A 20 5.545 1.072 -1.213 1.00 0.00 C ATOM 0 H PHE A 20 4.564 4.555 3.012 1.00 0.00 H new ATOM 0 HA PHE A 20 3.664 5.412 0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.818 3.098 2.104 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.963 3.574 0.650 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.142 2.196 1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.791 2.987 -1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.623 0.763 0.604 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.275 1.555 -2.862 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.200 0.445 -1.800 1.00 0.00 H new ATOM 463 N VAL A 21 1.480 6.414 1.137 1.00 0.00 N ATOM 464 CA VAL A 21 0.350 7.177 1.639 1.00 0.00 C ATOM 465 C VAL A 21 -0.926 6.796 0.894 1.00 0.00 C ATOM 466 O VAL A 21 -0.923 6.650 -0.329 1.00 0.00 O ATOM 467 CB VAL A 21 0.573 8.709 1.529 1.00 0.00 C ATOM 468 CG1 VAL A 21 1.779 9.150 2.349 1.00 0.00 C ATOM 469 CG2 VAL A 21 0.728 9.152 0.078 1.00 0.00 C ATOM 0 H VAL A 21 1.540 6.368 0.120 1.00 0.00 H new ATOM 0 HA VAL A 21 0.250 6.929 2.696 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.316 9.192 1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.910 10.228 2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.619 8.896 3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.672 8.642 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.882 10.230 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.586 8.647 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.173 8.895 -0.479 1.00 0.00 H new ATOM 479 N LEU A 22 -2.000 6.604 1.642 1.00 0.00 N ATOM 480 CA LEU A 22 -3.306 6.371 1.055 1.00 0.00 C ATOM 481 C LEU A 22 -4.097 7.657 1.187 1.00 0.00 C ATOM 482 O LEU A 22 -4.278 8.169 2.293 1.00 0.00 O ATOM 483 CB LEU A 22 -4.030 5.205 1.759 1.00 0.00 C ATOM 484 CG LEU A 22 -5.228 4.590 1.008 1.00 0.00 C ATOM 485 CD1 LEU A 22 -6.450 5.498 1.069 1.00 0.00 C ATOM 486 CD2 LEU A 22 -4.862 4.288 -0.442 1.00 0.00 C ATOM 0 H LEU A 22 -1.991 6.605 2.662 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.205 6.091 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.303 4.415 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.379 5.556 2.730 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.480 3.654 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.276 5.034 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.737 5.652 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.213 6.459 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.723 3.855 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.570 5.211 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.032 3.582 -0.468 1.00 0.00 H new ATOM 498 N ASP A 23 -4.532 8.192 0.062 1.00 0.00 N ATOM 499 CA ASP A 23 -5.250 9.456 0.055 1.00 0.00 C ATOM 500 C ASP A 23 -6.323 9.481 -1.030 1.00 0.00 C ATOM 501 O ASP A 23 -6.012 9.498 -2.225 1.00 0.00 O ATOM 502 CB ASP A 23 -4.275 10.621 -0.145 1.00 0.00 C ATOM 503 CG ASP A 23 -4.955 11.971 -0.023 1.00 0.00 C ATOM 504 OD1 ASP A 23 -5.111 12.461 1.116 1.00 0.00 O ATOM 505 OD2 ASP A 23 -5.334 12.551 -1.063 1.00 0.00 O ATOM 0 H ASP A 23 -4.402 7.773 -0.859 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.743 9.563 1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.475 10.552 0.592 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.811 10.538 -1.128 1.00 0.00 H new ATOM 510 N ASN A 24 -7.582 9.451 -0.593 1.00 0.00 N ATOM 511 CA ASN A 24 -8.745 9.600 -1.479 1.00 0.00 C ATOM 512 C ASN A 24 -8.723 8.572 -2.615 1.00 0.00 C ATOM 513 O ASN A 24 -8.816 8.922 -3.791 1.00 0.00 O ATOM 514 CB ASN A 24 -8.799 11.027 -2.048 1.00 0.00 C ATOM 515 CG ASN A 24 -10.189 11.425 -2.520 1.00 0.00 C ATOM 516 OD1 ASN A 24 -10.554 11.230 -3.680 1.00 0.00 O ATOM 517 ND2 ASN A 24 -10.974 11.997 -1.618 1.00 0.00 N ATOM 0 H ASN A 24 -7.829 9.322 0.388 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.642 9.418 -0.887 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.465 11.730 -1.285 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.101 11.107 -2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.916 12.292 -1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.636 12.142 -0.666 1.00 0.00 H new ATOM 524 N GLY A 25 -8.579 7.302 -2.252 1.00 0.00 N ATOM 525 CA GLY A 25 -8.597 6.233 -3.238 1.00 0.00 C ATOM 526 C GLY A 25 -7.309 6.121 -4.034 1.00 0.00 C ATOM 527 O GLY A 25 -7.209 5.312 -4.958 1.00 0.00 O ATOM 0 H GLY A 25 -8.450 6.991 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.786 5.286 -2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.427 6.398 -3.926 1.00 0.00 H new ATOM 531 N ILE A 26 -6.325 6.935 -3.696 1.00 0.00 N ATOM 532 CA ILE A 26 -5.041 6.887 -4.371 1.00 0.00 C ATOM 533 C ILE A 26 -3.942 6.463 -3.403 1.00 0.00 C ATOM 534 O ILE A 26 -3.857 6.970 -2.289 1.00 0.00 O ATOM 535 CB ILE A 26 -4.677 8.250 -5.003 1.00 0.00 C ATOM 536 CG1 ILE A 26 -5.804 8.740 -5.920 1.00 0.00 C ATOM 537 CG2 ILE A 26 -3.371 8.145 -5.775 1.00 0.00 C ATOM 538 CD1 ILE A 26 -6.196 7.752 -7.000 1.00 0.00 C ATOM 0 H ILE A 26 -6.391 7.637 -2.959 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.124 6.151 -5.170 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.548 8.977 -4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.681 8.965 -5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.495 9.673 -6.391 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.129 9.113 -6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.572 7.843 -5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.475 7.403 -6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.999 8.174 -7.605 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.334 7.545 -7.634 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.538 6.825 -6.539 1.00 0.00 H new ATOM 550 N LEU A 27 -3.123 5.517 -3.830 1.00 0.00 N ATOM 551 CA LEU A 27 -2.014 5.032 -3.026 1.00 0.00 C ATOM 552 C LEU A 27 -0.703 5.483 -3.672 1.00 0.00 C ATOM 553 O LEU A 27 -0.340 5.018 -4.752 1.00 0.00 O ATOM 554 CB LEU A 27 -2.099 3.492 -2.909 1.00 0.00 C ATOM 555 CG LEU A 27 -1.199 2.822 -1.855 1.00 0.00 C ATOM 556 CD1 LEU A 27 0.261 2.859 -2.269 1.00 0.00 C ATOM 557 CD2 LEU A 27 -1.386 3.478 -0.494 1.00 0.00 C ATOM 0 H LEU A 27 -3.207 5.065 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.058 5.443 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.133 3.225 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.858 3.064 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.498 1.776 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.869 2.378 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.385 2.331 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.580 3.895 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.741 2.990 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.125 4.534 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.426 3.380 -0.183 1.00 0.00 H new ATOM 569 N SER A 28 -0.004 6.398 -3.019 1.00 0.00 N ATOM 570 CA SER A 28 1.228 6.951 -3.564 1.00 0.00 C ATOM 571 C SER A 28 2.441 6.479 -2.763 1.00 0.00 C ATOM 572 O SER A 28 2.347 6.236 -1.557 1.00 0.00 O ATOM 573 CB SER A 28 1.158 8.481 -3.567 1.00 0.00 C ATOM 574 OG SER A 28 0.026 8.940 -4.290 1.00 0.00 O ATOM 0 H SER A 28 -0.269 6.775 -2.109 1.00 0.00 H new ATOM 0 HA SER A 28 1.340 6.596 -4.589 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.112 8.848 -2.542 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.066 8.889 -4.011 1.00 0.00 H new ATOM 0 HG SER A 28 0.004 9.920 -4.275 1.00 0.00 H new ATOM 580 N TYR A 29 3.577 6.339 -3.438 1.00 0.00 N ATOM 581 CA TYR A 29 4.802 5.914 -2.780 1.00 0.00 C ATOM 582 C TYR A 29 5.851 7.020 -2.822 1.00 0.00 C ATOM 583 O TYR A 29 6.046 7.669 -3.848 1.00 0.00 O ATOM 584 CB TYR A 29 5.349 4.620 -3.407 1.00 0.00 C ATOM 585 CG TYR A 29 5.625 4.694 -4.895 1.00 0.00 C ATOM 586 CD1 TYR A 29 6.862 5.112 -5.374 1.00 0.00 C ATOM 587 CD2 TYR A 29 4.652 4.335 -5.821 1.00 0.00 C ATOM 588 CE1 TYR A 29 7.119 5.175 -6.729 1.00 0.00 C ATOM 589 CE2 TYR A 29 4.904 4.395 -7.180 1.00 0.00 C ATOM 590 CZ TYR A 29 6.138 4.815 -7.627 1.00 0.00 C ATOM 591 OH TYR A 29 6.394 4.876 -8.977 1.00 0.00 O ATOM 0 H TYR A 29 3.673 6.514 -4.438 1.00 0.00 H new ATOM 0 HA TYR A 29 4.566 5.707 -1.736 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.272 4.348 -2.895 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.635 3.816 -3.225 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.635 5.392 -4.674 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.684 4.004 -5.474 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.084 5.505 -7.083 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.137 4.114 -7.887 1.00 0.00 H new ATOM 0 HH TYR A 29 5.600 4.588 -9.474 1.00 0.00 H new ATOM 601 N TYR A 30 6.510 7.228 -1.696 1.00 0.00 N ATOM 602 CA TYR A 30 7.534 8.250 -1.571 1.00 0.00 C ATOM 603 C TYR A 30 8.795 7.670 -0.945 1.00 0.00 C ATOM 604 O TYR A 30 8.770 6.555 -0.412 1.00 0.00 O ATOM 605 CB TYR A 30 7.024 9.411 -0.717 1.00 0.00 C ATOM 606 CG TYR A 30 5.891 10.181 -1.350 1.00 0.00 C ATOM 607 CD1 TYR A 30 6.149 11.160 -2.293 1.00 0.00 C ATOM 608 CD2 TYR A 30 4.569 9.936 -1.003 1.00 0.00 C ATOM 609 CE1 TYR A 30 5.127 11.875 -2.873 1.00 0.00 C ATOM 610 CE2 TYR A 30 3.537 10.649 -1.582 1.00 0.00 C ATOM 611 CZ TYR A 30 3.824 11.620 -2.519 1.00 0.00 C ATOM 612 OH TYR A 30 2.806 12.337 -3.109 1.00 0.00 O ATOM 0 H TYR A 30 6.350 6.693 -0.842 1.00 0.00 H new ATOM 0 HA TYR A 30 7.772 8.617 -2.569 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.694 9.023 0.247 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.850 10.095 -0.519 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.170 11.366 -2.579 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.344 9.176 -0.269 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.349 12.636 -3.606 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.513 10.448 -1.303 1.00 0.00 H new ATOM 0 HH TYR A 30 1.944 12.036 -2.752 1.00 0.00 H new ATOM 622 N ASP A 31 9.892 8.413 -1.018 1.00 0.00 N ATOM 623 CA ASP A 31 11.142 7.986 -0.391 1.00 0.00 C ATOM 624 C ASP A 31 11.015 8.065 1.124 1.00 0.00 C ATOM 625 O ASP A 31 11.494 7.191 1.842 1.00 0.00 O ATOM 626 CB ASP A 31 12.318 8.856 -0.859 1.00 0.00 C ATOM 627 CG ASP A 31 12.864 8.458 -2.221 1.00 0.00 C ATOM 628 OD1 ASP A 31 12.103 8.473 -3.210 1.00 0.00 O ATOM 629 OD2 ASP A 31 14.062 8.121 -2.308 1.00 0.00 O ATOM 0 H ASP A 31 9.945 9.310 -1.502 1.00 0.00 H new ATOM 0 HA ASP A 31 11.337 6.955 -0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.997 9.897 -0.895 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.120 8.795 -0.123 1.00 0.00 H new ATOM 634 N SER A 32 10.336 9.109 1.590 1.00 0.00 N ATOM 635 CA SER A 32 10.096 9.342 3.011 1.00 0.00 C ATOM 636 C SER A 32 9.011 10.402 3.155 1.00 0.00 C ATOM 637 O SER A 32 8.467 10.851 2.148 1.00 0.00 O ATOM 638 CB SER A 32 11.379 9.799 3.723 1.00 0.00 C ATOM 639 OG SER A 32 12.382 8.797 3.690 1.00 0.00 O ATOM 0 H SER A 32 9.933 9.825 0.986 1.00 0.00 H new ATOM 0 HA SER A 32 9.775 8.410 3.476 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.755 10.706 3.249 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.151 10.051 4.758 1.00 0.00 H new ATOM 0 HG SER A 32 12.002 7.966 3.336 1.00 0.00 H new ATOM 645 N GLN A 33 8.698 10.814 4.377 1.00 0.00 N ATOM 646 CA GLN A 33 7.670 11.830 4.584 1.00 0.00 C ATOM 647 C GLN A 33 8.101 13.162 3.966 1.00 0.00 C ATOM 648 O GLN A 33 7.284 13.895 3.408 1.00 0.00 O ATOM 649 CB GLN A 33 7.363 12.003 6.072 1.00 0.00 C ATOM 650 CG GLN A 33 6.258 13.012 6.341 1.00 0.00 C ATOM 651 CD GLN A 33 5.891 13.121 7.807 1.00 0.00 C ATOM 652 OE1 GLN A 33 6.489 13.896 8.552 1.00 0.00 O ATOM 653 NE2 GLN A 33 4.897 12.356 8.232 1.00 0.00 N ATOM 0 H GLN A 33 9.134 10.466 5.231 1.00 0.00 H new ATOM 0 HA GLN A 33 6.759 11.496 4.088 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.076 11.039 6.492 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.269 12.319 6.589 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.573 13.991 5.978 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.372 12.731 5.772 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.425 11.726 7.583 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.603 12.397 9.208 1.00 0.00 H new ATOM 662 N ASP A 34 9.392 13.461 4.053 1.00 0.00 N ATOM 663 CA ASP A 34 9.952 14.662 3.425 1.00 0.00 C ATOM 664 C ASP A 34 9.735 14.640 1.916 1.00 0.00 C ATOM 665 O ASP A 34 9.521 15.674 1.283 1.00 0.00 O ATOM 666 CB ASP A 34 11.449 14.776 3.731 1.00 0.00 C ATOM 667 CG ASP A 34 12.147 15.821 2.880 1.00 0.00 C ATOM 668 OD1 ASP A 34 12.057 17.022 3.206 1.00 0.00 O ATOM 669 OD2 ASP A 34 12.795 15.446 1.881 1.00 0.00 O ATOM 0 H ASP A 34 10.075 12.891 4.552 1.00 0.00 H new ATOM 0 HA ASP A 34 9.435 15.528 3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.582 15.024 4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.923 13.808 3.570 1.00 0.00 H new ATOM 674 N ASP A 35 9.759 13.445 1.354 1.00 0.00 N ATOM 675 CA ASP A 35 9.611 13.269 -0.087 1.00 0.00 C ATOM 676 C ASP A 35 8.146 13.393 -0.496 1.00 0.00 C ATOM 677 O ASP A 35 7.832 13.596 -1.664 1.00 0.00 O ATOM 678 CB ASP A 35 10.180 11.912 -0.511 1.00 0.00 C ATOM 679 CG ASP A 35 10.205 11.717 -2.015 1.00 0.00 C ATOM 680 OD1 ASP A 35 10.991 12.412 -2.698 1.00 0.00 O ATOM 681 OD2 ASP A 35 9.467 10.845 -2.514 1.00 0.00 O ATOM 0 H ASP A 35 9.880 12.575 1.873 1.00 0.00 H new ATOM 0 HA ASP A 35 10.170 14.055 -0.595 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.193 11.813 -0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.585 11.119 -0.058 1.00 0.00 H new ATOM 686 N VAL A 36 7.257 13.310 0.485 1.00 0.00 N ATOM 687 CA VAL A 36 5.823 13.438 0.239 1.00 0.00 C ATOM 688 C VAL A 36 5.498 14.825 -0.300 1.00 0.00 C ATOM 689 O VAL A 36 4.636 14.986 -1.165 1.00 0.00 O ATOM 690 CB VAL A 36 5.001 13.180 1.522 1.00 0.00 C ATOM 691 CG1 VAL A 36 3.526 13.476 1.295 1.00 0.00 C ATOM 692 CG2 VAL A 36 5.189 11.750 2.002 1.00 0.00 C ATOM 0 H VAL A 36 7.503 13.154 1.463 1.00 0.00 H new ATOM 0 HA VAL A 36 5.552 12.685 -0.501 1.00 0.00 H new ATOM 0 HB VAL A 36 5.367 13.855 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.971 13.286 2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.405 14.520 1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.144 12.834 0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.602 11.590 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.857 11.059 1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.243 11.574 2.218 1.00 0.00 H new ATOM 782 N SER A 43 1.529 7.540 -9.090 1.00 0.00 N ATOM 783 CA SER A 43 0.730 7.050 -7.981 1.00 0.00 C ATOM 784 C SER A 43 -0.101 5.847 -8.420 1.00 0.00 C ATOM 785 O SER A 43 -0.229 5.576 -9.616 1.00 0.00 O ATOM 786 CB SER A 43 -0.169 8.171 -7.463 1.00 0.00 C ATOM 787 OG SER A 43 0.604 9.313 -7.129 1.00 0.00 O ATOM 0 HA SER A 43 1.390 6.729 -7.175 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.907 8.433 -8.221 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.720 7.828 -6.587 1.00 0.00 H new ATOM 0 HG SER A 43 0.589 9.446 -6.158 1.00 0.00 H new ATOM 793 N ILE A 44 -0.667 5.136 -7.454 1.00 0.00 N ATOM 794 CA ILE A 44 -1.432 3.930 -7.737 1.00 0.00 C ATOM 795 C ILE A 44 -2.909 4.157 -7.451 1.00 0.00 C ATOM 796 O ILE A 44 -3.294 4.510 -6.339 1.00 0.00 O ATOM 797 CB ILE A 44 -0.937 2.737 -6.886 1.00 0.00 C ATOM 798 CG1 ILE A 44 0.547 2.462 -7.154 1.00 0.00 C ATOM 799 CG2 ILE A 44 -1.778 1.494 -7.167 1.00 0.00 C ATOM 800 CD1 ILE A 44 1.146 1.423 -6.229 1.00 0.00 C ATOM 0 H ILE A 44 -0.610 5.375 -6.464 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.290 3.697 -8.792 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.050 2.994 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.666 2.130 -8.185 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.105 3.393 -7.052 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.416 0.665 -6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.820 1.696 -6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.699 1.232 -8.222 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.198 1.279 -6.476 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.059 1.761 -5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.613 0.480 -6.348 1.00 0.00 H new ATOM 812 N LYS A 45 -3.729 3.954 -8.461 1.00 0.00 N ATOM 813 CA LYS A 45 -5.164 4.122 -8.328 1.00 0.00 C ATOM 814 C LYS A 45 -5.794 2.885 -7.694 1.00 0.00 C ATOM 815 O LYS A 45 -5.777 1.804 -8.279 1.00 0.00 O ATOM 816 CB LYS A 45 -5.779 4.387 -9.704 1.00 0.00 C ATOM 817 CG LYS A 45 -7.276 4.144 -9.758 1.00 0.00 C ATOM 818 CD LYS A 45 -7.847 4.422 -11.137 1.00 0.00 C ATOM 819 CE LYS A 45 -7.659 5.874 -11.532 1.00 0.00 C ATOM 820 NZ LYS A 45 -8.280 6.186 -12.845 1.00 0.00 N ATOM 0 H LYS A 45 -3.424 3.670 -9.392 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.361 4.974 -7.677 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.576 5.419 -9.990 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.289 3.750 -10.440 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.486 3.111 -9.480 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.773 4.779 -9.025 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.361 3.778 -11.870 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.908 4.175 -11.149 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.093 6.516 -10.766 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.594 6.102 -11.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.126 7.189 -13.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.849 5.593 -13.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.301 5.994 -12.800 1.00 0.00 H new ATOM 834 N MET A 46 -6.361 3.051 -6.501 1.00 0.00 N ATOM 835 CA MET A 46 -7.009 1.941 -5.804 1.00 0.00 C ATOM 836 C MET A 46 -8.235 1.457 -6.567 1.00 0.00 C ATOM 837 O MET A 46 -8.602 0.298 -6.482 1.00 0.00 O ATOM 838 CB MET A 46 -7.442 2.335 -4.391 1.00 0.00 C ATOM 839 CG MET A 46 -6.303 2.513 -3.398 1.00 0.00 C ATOM 840 SD MET A 46 -6.590 1.598 -1.879 1.00 0.00 S ATOM 841 CE MET A 46 -6.515 -0.076 -2.504 1.00 0.00 C ATOM 0 H MET A 46 -6.385 3.938 -5.998 1.00 0.00 H new ATOM 0 HA MET A 46 -6.271 1.141 -5.742 1.00 0.00 H new ATOM 0 HB2 MET A 46 -8.006 3.266 -4.446 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.122 1.573 -4.009 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.370 2.179 -3.852 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.185 3.572 -3.167 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.510 -0.520 -2.475 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.152 -0.065 -3.532 1.00 0.00 H new ATOM 0 HE3 MET A 46 -5.837 -0.665 -1.886 1.00 0.00 H new ATOM 851 N ALA A 47 -8.864 2.356 -7.315 1.00 0.00 N ATOM 852 CA ALA A 47 -10.089 2.029 -8.043 1.00 0.00 C ATOM 853 C ALA A 47 -9.821 1.091 -9.221 1.00 0.00 C ATOM 854 O ALA A 47 -10.753 0.567 -9.830 1.00 0.00 O ATOM 855 CB ALA A 47 -10.772 3.302 -8.520 1.00 0.00 C ATOM 0 H ALA A 47 -8.547 3.318 -7.435 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.752 1.504 -7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.683 3.045 -9.061 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.023 3.924 -7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.100 3.850 -9.181 1.00 0.00 H new ATOM 861 N VAL A 48 -8.547 0.893 -9.542 1.00 0.00 N ATOM 862 CA VAL A 48 -8.158 0.000 -10.627 1.00 0.00 C ATOM 863 C VAL A 48 -7.165 -1.046 -10.113 1.00 0.00 C ATOM 864 O VAL A 48 -6.706 -1.918 -10.852 1.00 0.00 O ATOM 865 CB VAL A 48 -7.537 0.797 -11.799 1.00 0.00 C ATOM 866 CG1 VAL A 48 -6.153 1.314 -11.438 1.00 0.00 C ATOM 867 CG2 VAL A 48 -7.491 -0.034 -13.069 1.00 0.00 C ATOM 0 H VAL A 48 -7.764 1.340 -9.065 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.051 -0.506 -10.994 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.179 1.657 -11.988 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.741 1.870 -12.280 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.224 1.970 -10.570 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.500 0.473 -11.204 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.049 0.555 -13.873 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.888 -0.926 -12.899 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.503 -0.328 -13.348 1.00 0.00 H new ATOM 877 N CYS A 49 -6.851 -0.957 -8.830 1.00 0.00 N ATOM 878 CA CYS A 49 -5.856 -1.820 -8.221 1.00 0.00 C ATOM 879 C CYS A 49 -6.426 -2.513 -6.996 1.00 0.00 C ATOM 880 O CYS A 49 -6.997 -1.873 -6.116 1.00 0.00 O ATOM 881 CB CYS A 49 -4.620 -1.007 -7.828 1.00 0.00 C ATOM 882 SG CYS A 49 -3.366 -1.939 -6.917 1.00 0.00 S ATOM 0 H CYS A 49 -7.276 -0.289 -8.187 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.569 -2.578 -8.950 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.166 -0.600 -8.732 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.937 -0.159 -7.221 1.00 0.00 H new ATOM 0 HG CYS A 49 -2.223 -1.326 -7.001 1.00 0.00 H new ATOM 888 N GLU A 50 -6.252 -3.817 -6.929 1.00 0.00 N ATOM 889 CA GLU A 50 -6.740 -4.578 -5.802 1.00 0.00 C ATOM 890 C GLU A 50 -5.701 -4.626 -4.701 1.00 0.00 C ATOM 891 O GLU A 50 -4.514 -4.842 -4.953 1.00 0.00 O ATOM 892 CB GLU A 50 -7.108 -6.006 -6.205 1.00 0.00 C ATOM 893 CG GLU A 50 -8.392 -6.123 -7.004 1.00 0.00 C ATOM 894 CD GLU A 50 -8.810 -7.567 -7.205 1.00 0.00 C ATOM 895 OE1 GLU A 50 -9.170 -8.233 -6.209 1.00 0.00 O ATOM 896 OE2 GLU A 50 -8.788 -8.045 -8.357 1.00 0.00 O ATOM 0 H GLU A 50 -5.776 -4.370 -7.642 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.637 -4.075 -5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.291 -6.427 -6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.199 -6.612 -5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.188 -5.584 -6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.259 -5.646 -7.975 1.00 0.00 H new ATOM 903 N ILE A 51 -6.160 -4.391 -3.491 1.00 0.00 N ATOM 904 CA ILE A 51 -5.372 -4.637 -2.304 1.00 0.00 C ATOM 905 C ILE A 51 -5.808 -5.970 -1.736 1.00 0.00 C ATOM 906 O ILE A 51 -6.975 -6.159 -1.383 1.00 0.00 O ATOM 907 CB ILE A 51 -5.551 -3.512 -1.253 1.00 0.00 C ATOM 908 CG1 ILE A 51 -5.002 -3.921 0.126 1.00 0.00 C ATOM 909 CG2 ILE A 51 -7.019 -3.117 -1.132 1.00 0.00 C ATOM 910 CD1 ILE A 51 -3.499 -4.098 0.182 1.00 0.00 C ATOM 0 H ILE A 51 -7.093 -4.023 -3.303 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.313 -4.654 -2.563 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.976 -2.654 -1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.293 -3.166 0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.476 -4.855 0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.123 -2.326 -0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.380 -2.759 -2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.605 -3.983 -0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.204 -4.386 1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.198 -4.876 -0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.012 -3.160 -0.085 1.00 0.00 H new ATOM 922 N LYS A 52 -4.889 -6.903 -1.665 1.00 0.00 N ATOM 923 CA LYS A 52 -5.264 -8.259 -1.341 1.00 0.00 C ATOM 924 C LYS A 52 -5.369 -8.415 0.162 1.00 0.00 C ATOM 925 O LYS A 52 -4.370 -8.443 0.880 1.00 0.00 O ATOM 926 CB LYS A 52 -4.256 -9.251 -1.926 1.00 0.00 C ATOM 927 CG LYS A 52 -3.915 -8.967 -3.383 1.00 0.00 C ATOM 928 CD LYS A 52 -5.123 -9.067 -4.301 1.00 0.00 C ATOM 929 CE LYS A 52 -5.481 -10.509 -4.609 1.00 0.00 C ATOM 930 NZ LYS A 52 -4.363 -11.247 -5.257 1.00 0.00 N ATOM 0 H LYS A 52 -3.893 -6.753 -1.824 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.237 -8.475 -1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.342 -9.223 -1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.659 -10.260 -1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.485 -7.968 -3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.152 -9.670 -3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.975 -8.573 -3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.917 -8.537 -5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.760 -11.016 -3.685 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.354 -10.532 -5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.702 -11.689 -6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.592 -10.585 -5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.013 -11.984 -4.612 1.00 0.00 H new ATOM 944 N VAL A 53 -6.604 -8.510 0.613 1.00 0.00 N ATOM 945 CA VAL A 53 -6.920 -8.645 2.018 1.00 0.00 C ATOM 946 C VAL A 53 -8.018 -9.685 2.174 1.00 0.00 C ATOM 947 O VAL A 53 -9.165 -9.457 1.782 1.00 0.00 O ATOM 948 CB VAL A 53 -7.371 -7.295 2.629 1.00 0.00 C ATOM 949 CG1 VAL A 53 -7.834 -7.476 4.068 1.00 0.00 C ATOM 950 CG2 VAL A 53 -6.240 -6.275 2.566 1.00 0.00 C ATOM 0 H VAL A 53 -7.424 -8.495 0.006 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.024 -8.961 2.552 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.211 -6.925 2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.145 -6.513 4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.674 -8.170 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.015 -7.874 4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.575 -5.333 3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.382 -6.648 3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.953 -6.114 1.527 1.00 0.00 H new ATOM 1025 N THR A 59 0.775 -8.870 8.793 1.00 0.00 N ATOM 1026 CA THR A 59 1.404 -8.003 7.792 1.00 0.00 C ATOM 1027 C THR A 59 1.528 -8.678 6.416 1.00 0.00 C ATOM 1028 O THR A 59 2.618 -8.780 5.859 1.00 0.00 O ATOM 1029 CB THR A 59 2.793 -7.512 8.263 1.00 0.00 C ATOM 1030 OG1 THR A 59 3.659 -8.608 8.577 1.00 0.00 O ATOM 1031 CG2 THR A 59 2.652 -6.635 9.487 1.00 0.00 C ATOM 0 HA THR A 59 0.742 -7.144 7.681 1.00 0.00 H new ATOM 0 HB THR A 59 3.231 -6.942 7.443 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.127 -9.359 8.913 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.637 -6.297 9.808 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.032 -5.771 9.246 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.185 -7.204 10.291 1.00 0.00 H new ATOM 1039 N ARG A 60 0.405 -9.141 5.880 1.00 0.00 N ATOM 1040 CA ARG A 60 0.387 -9.826 4.591 1.00 0.00 C ATOM 1041 C ARG A 60 -0.584 -9.139 3.631 1.00 0.00 C ATOM 1042 O ARG A 60 -1.790 -9.383 3.698 1.00 0.00 O ATOM 1043 CB ARG A 60 -0.054 -11.275 4.794 1.00 0.00 C ATOM 1044 CG ARG A 60 0.603 -11.946 5.983 1.00 0.00 C ATOM 1045 CD ARG A 60 2.017 -12.387 5.672 1.00 0.00 C ATOM 1046 NE ARG A 60 2.049 -13.735 5.095 1.00 0.00 N ATOM 1047 CZ ARG A 60 3.022 -14.193 4.311 1.00 0.00 C ATOM 1048 NH1 ARG A 60 4.026 -13.400 3.955 1.00 0.00 N ATOM 1049 NH2 ARG A 60 2.990 -15.447 3.875 1.00 0.00 N ATOM 0 H ARG A 60 -0.511 -9.054 6.321 1.00 0.00 H new ATOM 0 HA ARG A 60 1.390 -9.794 4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.136 -11.302 4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.174 -11.845 3.893 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.615 -11.257 6.828 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.011 -12.810 6.285 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.474 -11.682 4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.614 -12.367 6.584 1.00 0.00 H new ATOM 0 HE ARG A 60 1.274 -14.363 5.309 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.054 -12.434 4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.769 -13.756 3.354 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.219 -16.060 4.141 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.736 -15.797 3.274 1.00 0.00 H new ATOM 1063 N MET A 61 -0.079 -8.266 2.760 1.00 0.00 N ATOM 1064 CA MET A 61 -0.937 -7.590 1.785 1.00 0.00 C ATOM 1065 C MET A 61 -0.234 -7.477 0.429 1.00 0.00 C ATOM 1066 O MET A 61 0.991 -7.386 0.356 1.00 0.00 O ATOM 1067 CB MET A 61 -1.352 -6.191 2.279 1.00 0.00 C ATOM 1068 CG MET A 61 -1.730 -6.144 3.749 1.00 0.00 C ATOM 1069 SD MET A 61 -0.445 -5.414 4.786 1.00 0.00 S ATOM 1070 CE MET A 61 -0.672 -3.681 4.398 1.00 0.00 C ATOM 0 H MET A 61 0.907 -8.012 2.708 1.00 0.00 H new ATOM 0 HA MET A 61 -1.837 -8.194 1.668 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.531 -5.496 2.103 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.197 -5.843 1.685 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.650 -5.571 3.863 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.939 -7.156 4.097 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.108 -3.073 5.105 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.316 -3.485 3.387 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.730 -3.429 4.465 1.00 0.00 H new ATOM 1080 N GLU A 62 -1.020 -7.487 -0.638 1.00 0.00 N ATOM 1081 CA GLU A 62 -0.495 -7.399 -1.999 1.00 0.00 C ATOM 1082 C GLU A 62 -1.261 -6.341 -2.786 1.00 0.00 C ATOM 1083 O GLU A 62 -2.472 -6.216 -2.640 1.00 0.00 O ATOM 1084 CB GLU A 62 -0.612 -8.768 -2.689 1.00 0.00 C ATOM 1085 CG GLU A 62 -0.451 -8.734 -4.204 1.00 0.00 C ATOM 1086 CD GLU A 62 -0.699 -10.091 -4.839 1.00 0.00 C ATOM 1087 OE1 GLU A 62 0.243 -10.908 -4.899 1.00 0.00 O ATOM 1088 OE2 GLU A 62 -1.845 -10.355 -5.269 1.00 0.00 O ATOM 0 H GLU A 62 -2.036 -7.556 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 62 0.556 -7.111 -1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.142 -9.435 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.585 -9.198 -2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.144 -8.006 -4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.555 -8.397 -4.453 1.00 0.00 H new ATOM 1095 N LEU A 63 -0.557 -5.568 -3.597 1.00 0.00 N ATOM 1096 CA LEU A 63 -1.199 -4.590 -4.460 1.00 0.00 C ATOM 1097 C LEU A 63 -1.091 -5.054 -5.905 1.00 0.00 C ATOM 1098 O LEU A 63 0.009 -5.247 -6.427 1.00 0.00 O ATOM 1099 CB LEU A 63 -0.533 -3.213 -4.307 1.00 0.00 C ATOM 1100 CG LEU A 63 -1.040 -2.321 -3.161 1.00 0.00 C ATOM 1101 CD1 LEU A 63 -2.408 -1.740 -3.487 1.00 0.00 C ATOM 1102 CD2 LEU A 63 -1.094 -3.092 -1.854 1.00 0.00 C ATOM 0 H LEU A 63 0.459 -5.599 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.247 -4.499 -4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.537 -3.367 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.660 -2.669 -5.243 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.335 -1.498 -3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.744 -1.113 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.341 -1.139 -4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.120 -2.551 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.456 -2.438 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.769 -3.941 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.096 -3.451 -1.602 1.00 0.00 H new ATOM 1114 N ILE A 64 -2.226 -5.235 -6.550 1.00 0.00 N ATOM 1115 CA ILE A 64 -2.236 -5.686 -7.929 1.00 0.00 C ATOM 1116 C ILE A 64 -3.023 -4.728 -8.821 1.00 0.00 C ATOM 1117 O ILE A 64 -4.231 -4.551 -8.673 1.00 0.00 O ATOM 1118 CB ILE A 64 -2.774 -7.143 -8.041 1.00 0.00 C ATOM 1119 CG1 ILE A 64 -3.230 -7.484 -9.471 1.00 0.00 C ATOM 1120 CG2 ILE A 64 -3.890 -7.395 -7.041 1.00 0.00 C ATOM 1121 CD1 ILE A 64 -2.116 -7.455 -10.498 1.00 0.00 C ATOM 0 H ILE A 64 -3.149 -5.078 -6.145 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.206 -5.689 -8.284 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.944 -7.807 -7.800 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.683 -8.475 -9.470 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.005 -6.779 -9.772 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.245 -8.420 -7.143 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.514 -7.240 -6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.712 -6.705 -7.232 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.519 -7.706 -11.479 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.677 -6.458 -10.530 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.350 -8.180 -10.224 1.00 0.00 H new ATOM 1133 N ILE A 65 -2.296 -4.108 -9.741 1.00 0.00 N ATOM 1134 CA ILE A 65 -2.852 -3.204 -10.726 1.00 0.00 C ATOM 1135 C ILE A 65 -2.422 -3.688 -12.111 1.00 0.00 C ATOM 1136 O ILE A 65 -1.228 -3.777 -12.399 1.00 0.00 O ATOM 1137 CB ILE A 65 -2.380 -1.741 -10.450 1.00 0.00 C ATOM 1138 CG1 ILE A 65 -2.363 -0.875 -11.716 1.00 0.00 C ATOM 1139 CG2 ILE A 65 -0.997 -1.737 -9.808 1.00 0.00 C ATOM 1140 CD1 ILE A 65 -3.681 -0.787 -12.447 1.00 0.00 C ATOM 0 H ILE A 65 -1.286 -4.225 -9.821 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.941 -3.199 -10.671 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.107 -1.305 -9.765 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.047 0.132 -11.445 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.612 -1.271 -12.399 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.685 -0.709 -9.623 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.032 -2.281 -8.864 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.284 -2.218 -10.477 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.568 -0.154 -13.327 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.993 -1.785 -12.756 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.435 -0.359 -11.787 1.00 0.00 H new ATOM 1152 N PRO A 66 -3.395 -4.049 -12.965 1.00 0.00 N ATOM 1153 CA PRO A 66 -3.127 -4.638 -14.284 1.00 0.00 C ATOM 1154 C PRO A 66 -2.145 -3.819 -15.116 1.00 0.00 C ATOM 1155 O PRO A 66 -2.328 -2.616 -15.320 1.00 0.00 O ATOM 1156 CB PRO A 66 -4.504 -4.663 -14.945 1.00 0.00 C ATOM 1157 CG PRO A 66 -5.455 -4.737 -13.804 1.00 0.00 C ATOM 1158 CD PRO A 66 -4.843 -3.905 -12.716 1.00 0.00 C ATOM 0 HA PRO A 66 -2.659 -5.619 -14.199 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.673 -3.770 -15.547 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.611 -5.520 -15.609 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.436 -4.354 -14.086 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.596 -5.767 -13.477 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.162 -2.864 -12.776 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.121 -4.267 -11.726 1.00 0.00 H new ATOM 1166 N GLY A 67 -1.093 -4.480 -15.575 1.00 0.00 N ATOM 1167 CA GLY A 67 -0.088 -3.823 -16.383 1.00 0.00 C ATOM 1168 C GLY A 67 1.160 -3.509 -15.592 1.00 0.00 C ATOM 1169 O GLY A 67 2.274 -3.773 -16.040 1.00 0.00 O ATOM 0 H GLY A 67 -0.917 -5.469 -15.400 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.170 -4.460 -17.229 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.499 -2.900 -16.793 1.00 0.00 H new ATOM 1173 N GLU A 68 0.974 -2.953 -14.406 1.00 0.00 N ATOM 1174 CA GLU A 68 2.094 -2.579 -13.556 1.00 0.00 C ATOM 1175 C GLU A 68 2.311 -3.623 -12.462 1.00 0.00 C ATOM 1176 O GLU A 68 3.054 -4.587 -12.653 1.00 0.00 O ATOM 1177 CB GLU A 68 1.823 -1.205 -12.950 1.00 0.00 C ATOM 1178 CG GLU A 68 1.393 -0.188 -13.994 1.00 0.00 C ATOM 1179 CD GLU A 68 1.056 1.165 -13.408 1.00 0.00 C ATOM 1180 OE1 GLU A 68 1.988 1.951 -13.129 1.00 0.00 O ATOM 1181 OE2 GLU A 68 -0.147 1.452 -13.243 1.00 0.00 O ATOM 0 H GLU A 68 0.057 -2.750 -14.009 1.00 0.00 H new ATOM 0 HA GLU A 68 3.004 -2.534 -14.154 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.047 -1.292 -12.190 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.722 -0.848 -12.448 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.191 -0.070 -14.727 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.524 -0.571 -14.528 1.00 0.00 H new ATOM 1188 N GLN A 69 1.637 -3.430 -11.331 1.00 0.00 N ATOM 1189 CA GLN A 69 1.686 -4.370 -10.213 1.00 0.00 C ATOM 1190 C GLN A 69 3.131 -4.598 -9.739 1.00 0.00 C ATOM 1191 O GLN A 69 3.952 -3.681 -9.770 1.00 0.00 O ATOM 1192 CB GLN A 69 1.023 -5.689 -10.617 1.00 0.00 C ATOM 1193 CG GLN A 69 0.719 -6.623 -9.454 1.00 0.00 C ATOM 1194 CD GLN A 69 1.193 -8.041 -9.715 1.00 0.00 C ATOM 1195 OE1 GLN A 69 1.156 -8.445 -10.971 1.00 0.00 O flip ATOM 1196 NE2 GLN A 69 1.584 -8.758 -8.800 1.00 0.00 N flip ATOM 0 H GLN A 69 1.042 -2.619 -11.163 1.00 0.00 H new ATOM 0 HA GLN A 69 1.136 -3.943 -9.374 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.094 -5.468 -11.142 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.673 -6.207 -11.323 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.197 -6.243 -8.551 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.355 -6.630 -9.267 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.595 -8.404 -7.844 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.898 -9.709 -8.995 1.00 0.00 H new ATOM 1205 N HIS A 70 3.422 -5.827 -9.305 1.00 0.00 N ATOM 1206 CA HIS A 70 4.692 -6.180 -8.677 1.00 0.00 C ATOM 1207 C HIS A 70 4.879 -5.372 -7.388 1.00 0.00 C ATOM 1208 O HIS A 70 5.997 -5.007 -7.013 1.00 0.00 O ATOM 1209 CB HIS A 70 5.869 -5.976 -9.647 1.00 0.00 C ATOM 1210 CG HIS A 70 7.123 -6.703 -9.243 1.00 0.00 C ATOM 1211 ND1 HIS A 70 8.325 -6.563 -9.905 1.00 0.00 N ATOM 1212 CD2 HIS A 70 7.355 -7.582 -8.238 1.00 0.00 C ATOM 1213 CE1 HIS A 70 9.239 -7.322 -9.326 1.00 0.00 C ATOM 1214 NE2 HIS A 70 8.674 -7.948 -8.311 1.00 0.00 N ATOM 0 H HIS A 70 2.774 -6.611 -9.382 1.00 0.00 H new ATOM 0 HA HIS A 70 4.672 -7.239 -8.419 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.571 -6.310 -10.641 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.086 -4.910 -9.721 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.634 -7.930 -7.513 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.271 -7.414 -9.631 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.143 -8.599 -7.682 1.00 0.00 H new ATOM 1223 N PHE A 71 3.769 -5.108 -6.703 1.00 0.00 N ATOM 1224 CA PHE A 71 3.803 -4.369 -5.451 1.00 0.00 C ATOM 1225 C PHE A 71 3.403 -5.270 -4.291 1.00 0.00 C ATOM 1226 O PHE A 71 2.254 -5.698 -4.183 1.00 0.00 O ATOM 1227 CB PHE A 71 2.876 -3.149 -5.504 1.00 0.00 C ATOM 1228 CG PHE A 71 3.286 -2.109 -6.508 1.00 0.00 C ATOM 1229 CD1 PHE A 71 4.454 -1.383 -6.337 1.00 0.00 C ATOM 1230 CD2 PHE A 71 2.497 -1.850 -7.615 1.00 0.00 C ATOM 1231 CE1 PHE A 71 4.829 -0.419 -7.254 1.00 0.00 C ATOM 1232 CE2 PHE A 71 2.865 -0.888 -8.537 1.00 0.00 C ATOM 1233 CZ PHE A 71 4.032 -0.171 -8.356 1.00 0.00 C ATOM 0 H PHE A 71 2.836 -5.397 -6.997 1.00 0.00 H new ATOM 0 HA PHE A 71 4.824 -4.020 -5.298 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.865 -3.484 -5.737 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.840 -2.690 -4.516 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.079 -1.573 -5.477 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.583 -2.406 -7.760 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.742 0.139 -7.110 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.241 -0.697 -9.398 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.321 0.582 -9.074 1.00 0.00 H new ATOM 1243 N TYR A 72 4.361 -5.556 -3.430 1.00 0.00 N ATOM 1244 CA TYR A 72 4.110 -6.357 -2.249 1.00 0.00 C ATOM 1245 C TYR A 72 4.214 -5.468 -1.021 1.00 0.00 C ATOM 1246 O TYR A 72 5.094 -4.607 -0.949 1.00 0.00 O ATOM 1247 CB TYR A 72 5.115 -7.513 -2.171 1.00 0.00 C ATOM 1248 CG TYR A 72 4.803 -8.524 -1.091 1.00 0.00 C ATOM 1249 CD1 TYR A 72 3.824 -9.491 -1.282 1.00 0.00 C ATOM 1250 CD2 TYR A 72 5.489 -8.514 0.116 1.00 0.00 C ATOM 1251 CE1 TYR A 72 3.539 -10.422 -0.302 1.00 0.00 C ATOM 1252 CE2 TYR A 72 5.211 -9.443 1.101 1.00 0.00 C ATOM 1253 CZ TYR A 72 4.233 -10.392 0.887 1.00 0.00 C ATOM 1254 OH TYR A 72 3.954 -11.320 1.862 1.00 0.00 O ATOM 0 H TYR A 72 5.327 -5.243 -3.528 1.00 0.00 H new ATOM 0 HA TYR A 72 3.109 -6.786 -2.298 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.144 -8.022 -3.134 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.111 -7.105 -1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.276 -9.515 -2.213 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.252 -7.769 0.288 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.777 -11.169 -0.467 1.00 0.00 H new ATOM 0 HE2 TYR A 72 5.756 -9.426 2.033 1.00 0.00 H new ATOM 0 HH TYR A 72 4.531 -11.163 2.638 1.00 0.00 H new ATOM 1264 N MET A 73 3.310 -5.648 -0.073 1.00 0.00 N ATOM 1265 CA MET A 73 3.317 -4.829 1.127 1.00 0.00 C ATOM 1266 C MET A 73 3.431 -5.674 2.385 1.00 0.00 C ATOM 1267 O MET A 73 2.793 -6.719 2.515 1.00 0.00 O ATOM 1268 CB MET A 73 2.051 -3.970 1.217 1.00 0.00 C ATOM 1269 CG MET A 73 2.157 -2.619 0.525 1.00 0.00 C ATOM 1270 SD MET A 73 0.706 -1.588 0.830 1.00 0.00 S ATOM 1271 CE MET A 73 1.250 -0.014 0.178 1.00 0.00 C ATOM 0 H MET A 73 2.568 -6.347 -0.110 1.00 0.00 H new ATOM 0 HA MET A 73 4.191 -4.182 1.057 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.219 -4.524 0.781 1.00 0.00 H new ATOM 0 HB3 MET A 73 1.810 -3.808 2.268 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.050 -2.101 0.875 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.276 -2.769 -0.548 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.456 0.723 0.297 1.00 0.00 H new ATOM 0 HE2 MET A 73 2.137 0.317 0.719 1.00 0.00 H new ATOM 0 HE3 MET A 73 1.489 -0.121 -0.880 1.00 0.00 H new ATOM 1281 N LYS A 74 4.255 -5.204 3.302 1.00 0.00 N ATOM 1282 CA LYS A 74 4.300 -5.738 4.647 1.00 0.00 C ATOM 1283 C LYS A 74 4.458 -4.582 5.612 1.00 0.00 C ATOM 1284 O LYS A 74 5.341 -3.747 5.445 1.00 0.00 O ATOM 1285 CB LYS A 74 5.458 -6.723 4.825 1.00 0.00 C ATOM 1286 CG LYS A 74 5.506 -7.338 6.217 1.00 0.00 C ATOM 1287 CD LYS A 74 6.763 -8.159 6.447 1.00 0.00 C ATOM 1288 CE LYS A 74 6.752 -8.821 7.820 1.00 0.00 C ATOM 1289 NZ LYS A 74 6.653 -7.832 8.934 1.00 0.00 N ATOM 0 H LYS A 74 4.911 -4.441 3.134 1.00 0.00 H new ATOM 0 HA LYS A 74 3.376 -6.282 4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.368 -7.518 4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.399 -6.209 4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.452 -6.545 6.963 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.631 -7.971 6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.847 -8.923 5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.640 -7.517 6.358 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.912 -9.514 7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.661 -9.410 7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.207 -8.169 9.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.026 -6.914 8.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.657 -7.723 9.214 1.00 0.00 H new ATOM 1303 N ALA A 75 3.578 -4.507 6.585 1.00 0.00 N ATOM 1304 CA ALA A 75 3.660 -3.474 7.592 1.00 0.00 C ATOM 1305 C ALA A 75 4.616 -3.895 8.701 1.00 0.00 C ATOM 1306 O ALA A 75 5.222 -4.970 8.626 1.00 0.00 O ATOM 1307 CB ALA A 75 2.275 -3.188 8.142 1.00 0.00 C ATOM 0 H ALA A 75 2.795 -5.151 6.700 1.00 0.00 H new ATOM 0 HA ALA A 75 4.049 -2.560 7.144 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.339 -2.409 8.901 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.624 -2.855 7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.866 -4.095 8.587 1.00 0.00 H new ATOM 1313 N VAL A 76 4.754 -3.052 9.718 1.00 0.00 N ATOM 1314 CA VAL A 76 5.611 -3.361 10.859 1.00 0.00 C ATOM 1315 C VAL A 76 5.101 -4.608 11.579 1.00 0.00 C ATOM 1316 O VAL A 76 5.783 -5.632 11.627 1.00 0.00 O ATOM 1317 CB VAL A 76 5.681 -2.184 11.859 1.00 0.00 C ATOM 1318 CG1 VAL A 76 6.617 -2.503 13.021 1.00 0.00 C ATOM 1319 CG2 VAL A 76 6.116 -0.908 11.155 1.00 0.00 C ATOM 0 H VAL A 76 4.284 -2.149 9.777 1.00 0.00 H new ATOM 0 HA VAL A 76 6.614 -3.540 10.473 1.00 0.00 H new ATOM 0 HB VAL A 76 4.682 -2.030 12.266 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.646 -1.657 13.708 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.255 -3.386 13.548 1.00 0.00 H new ATOM 0 HG13 VAL A 76 7.620 -2.694 12.639 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.159 -0.091 11.876 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.102 -1.054 10.713 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.400 -0.663 10.371 1.00 0.00 H new ATOM 1329 N ASN A 77 3.891 -4.521 12.114 1.00 0.00 N ATOM 1330 CA ASN A 77 3.280 -5.648 12.807 1.00 0.00 C ATOM 1331 C ASN A 77 1.815 -5.784 12.408 1.00 0.00 C ATOM 1332 O ASN A 77 1.298 -4.947 11.666 1.00 0.00 O ATOM 1333 CB ASN A 77 3.424 -5.504 14.331 1.00 0.00 C ATOM 1334 CG ASN A 77 2.829 -4.217 14.876 1.00 0.00 C ATOM 1335 OD1 ASN A 77 1.862 -3.680 14.341 1.00 0.00 O ATOM 1336 ND2 ASN A 77 3.409 -3.716 15.951 1.00 0.00 N ATOM 0 H ASN A 77 3.312 -3.682 12.082 1.00 0.00 H new ATOM 0 HA ASN A 77 3.804 -6.557 12.510 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.941 -6.352 14.816 1.00 0.00 H new ATOM 0 HB3 ASN A 77 4.481 -5.546 14.594 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.056 -2.854 16.366 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.210 -4.191 16.367 1.00 0.00 H new ATOM 1343 N ALA A 78 1.174 -6.860 12.851 1.00 0.00 N ATOM 1344 CA ALA A 78 -0.233 -7.127 12.539 1.00 0.00 C ATOM 1345 C ALA A 78 -1.109 -5.883 12.714 1.00 0.00 C ATOM 1346 O ALA A 78 -1.957 -5.594 11.867 1.00 0.00 O ATOM 1347 CB ALA A 78 -0.755 -8.257 13.410 1.00 0.00 C ATOM 0 H ALA A 78 1.610 -7.573 13.436 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.285 -7.419 11.490 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.801 -8.448 13.170 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.170 -9.158 13.226 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.668 -7.977 14.460 1.00 0.00 H new ATOM 1353 N ALA A 79 -0.891 -5.147 13.801 1.00 0.00 N ATOM 1354 CA ALA A 79 -1.636 -3.925 14.072 1.00 0.00 C ATOM 1355 C ALA A 79 -1.411 -2.890 12.974 1.00 0.00 C ATOM 1356 O ALA A 79 -2.357 -2.268 12.485 1.00 0.00 O ATOM 1357 CB ALA A 79 -1.230 -3.369 15.420 1.00 0.00 C ATOM 0 H ALA A 79 -0.198 -5.380 14.512 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.700 -4.162 14.089 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.789 -2.455 15.620 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.445 -4.103 16.196 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.163 -3.148 15.416 1.00 0.00 H new ATOM 1363 N GLU A 80 -0.154 -2.724 12.581 1.00 0.00 N ATOM 1364 CA GLU A 80 0.205 -1.830 11.488 1.00 0.00 C ATOM 1365 C GLU A 80 -0.451 -2.287 10.187 1.00 0.00 C ATOM 1366 O GLU A 80 -0.939 -1.473 9.404 1.00 0.00 O ATOM 1367 CB GLU A 80 1.722 -1.781 11.334 1.00 0.00 C ATOM 1368 CG GLU A 80 2.424 -1.098 12.493 1.00 0.00 C ATOM 1369 CD GLU A 80 2.146 0.388 12.556 1.00 0.00 C ATOM 1370 OE1 GLU A 80 1.153 0.785 13.195 1.00 0.00 O ATOM 1371 OE2 GLU A 80 2.922 1.165 11.965 1.00 0.00 O ATOM 0 H GLU A 80 0.640 -3.202 13.008 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.157 -0.828 11.719 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.103 -2.798 11.237 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.969 -1.258 10.410 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.107 -1.562 13.427 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.499 -1.258 12.406 1.00 0.00 H new ATOM 1378 N ARG A 81 -0.469 -3.600 9.975 1.00 0.00 N ATOM 1379 CA ARG A 81 -1.153 -4.191 8.829 1.00 0.00 C ATOM 1380 C ARG A 81 -2.621 -3.791 8.848 1.00 0.00 C ATOM 1381 O ARG A 81 -3.188 -3.421 7.828 1.00 0.00 O ATOM 1382 CB ARG A 81 -1.031 -5.723 8.861 1.00 0.00 C ATOM 1383 CG ARG A 81 -1.852 -6.434 7.790 1.00 0.00 C ATOM 1384 CD ARG A 81 -2.361 -7.788 8.272 1.00 0.00 C ATOM 1385 NE ARG A 81 -3.435 -7.649 9.262 1.00 0.00 N ATOM 1386 CZ ARG A 81 -3.962 -8.664 9.959 1.00 0.00 C ATOM 1387 NH1 ARG A 81 -3.496 -9.905 9.815 1.00 0.00 N ATOM 1388 NH2 ARG A 81 -4.967 -8.433 10.798 1.00 0.00 N ATOM 0 H ARG A 81 -0.015 -4.279 10.586 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.687 -3.824 7.915 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.017 -5.996 8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.344 -6.082 9.842 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.698 -5.808 7.505 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.243 -6.572 6.897 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.725 -8.363 7.420 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.536 -8.351 8.708 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.806 -6.714 9.431 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.729 -10.090 9.168 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.906 -10.669 10.352 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.332 -7.487 10.908 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.373 -9.202 11.332 1.00 0.00 H new ATOM 1402 N GLN A 82 -3.212 -3.842 10.032 1.00 0.00 N ATOM 1403 CA GLN A 82 -4.628 -3.547 10.207 1.00 0.00 C ATOM 1404 C GLN A 82 -4.933 -2.091 9.866 1.00 0.00 C ATOM 1405 O GLN A 82 -5.988 -1.788 9.322 1.00 0.00 O ATOM 1406 CB GLN A 82 -5.050 -3.857 11.645 1.00 0.00 C ATOM 1407 CG GLN A 82 -6.554 -3.850 11.857 1.00 0.00 C ATOM 1408 CD GLN A 82 -7.255 -4.927 11.053 1.00 0.00 C ATOM 1409 OE1 GLN A 82 -6.689 -5.995 10.793 1.00 0.00 O ATOM 1410 NE2 GLN A 82 -8.483 -4.649 10.646 1.00 0.00 N ATOM 0 H GLN A 82 -2.727 -4.088 10.895 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.197 -4.177 9.523 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.657 -4.834 11.927 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.595 -3.126 12.313 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.770 -3.992 12.916 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.953 -2.875 11.579 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.909 -3.754 10.885 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.003 -5.330 10.093 1.00 0.00 H new ATOM 1419 N ARG A 83 -4.001 -1.199 10.173 1.00 0.00 N ATOM 1420 CA ARG A 83 -4.182 0.223 9.893 1.00 0.00 C ATOM 1421 C ARG A 83 -4.269 0.468 8.387 1.00 0.00 C ATOM 1422 O ARG A 83 -5.145 1.195 7.907 1.00 0.00 O ATOM 1423 CB ARG A 83 -3.019 1.018 10.483 1.00 0.00 C ATOM 1424 CG ARG A 83 -2.892 0.882 11.994 1.00 0.00 C ATOM 1425 CD ARG A 83 -1.633 1.551 12.518 1.00 0.00 C ATOM 1426 NE ARG A 83 -1.798 2.991 12.727 1.00 0.00 N ATOM 1427 CZ ARG A 83 -0.821 3.791 13.159 1.00 0.00 C ATOM 1428 NH1 ARG A 83 0.397 3.307 13.372 1.00 0.00 N ATOM 1429 NH2 ARG A 83 -1.055 5.080 13.378 1.00 0.00 N ATOM 0 H ARG A 83 -3.112 -1.432 10.616 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.114 0.552 10.352 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.091 0.687 10.018 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.145 2.071 10.231 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.765 1.325 12.473 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.882 -0.174 12.264 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.344 1.083 13.459 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.818 1.382 11.814 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.709 3.405 12.532 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.590 2.319 13.205 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.140 3.923 13.702 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.986 5.464 13.216 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.304 5.686 13.708 1.00 0.00 H new ATOM 1443 N TRP A 84 -3.373 -0.168 7.641 1.00 0.00 N ATOM 1444 CA TRP A 84 -3.419 -0.106 6.185 1.00 0.00 C ATOM 1445 C TRP A 84 -4.654 -0.821 5.667 1.00 0.00 C ATOM 1446 O TRP A 84 -5.283 -0.378 4.716 1.00 0.00 O ATOM 1447 CB TRP A 84 -2.155 -0.711 5.571 1.00 0.00 C ATOM 1448 CG TRP A 84 -0.953 0.154 5.765 1.00 0.00 C ATOM 1449 CD1 TRP A 84 0.012 0.013 6.714 1.00 0.00 C ATOM 1450 CD2 TRP A 84 -0.601 1.308 4.995 1.00 0.00 C ATOM 1451 NE1 TRP A 84 0.932 1.024 6.601 1.00 0.00 N ATOM 1452 CE2 TRP A 84 0.579 1.831 5.551 1.00 0.00 C ATOM 1453 CE3 TRP A 84 -1.172 1.959 3.894 1.00 0.00 C ATOM 1454 CZ2 TRP A 84 1.195 2.969 5.046 1.00 0.00 C ATOM 1455 CZ3 TRP A 84 -0.554 3.084 3.392 1.00 0.00 C ATOM 1456 CH2 TRP A 84 0.616 3.581 3.970 1.00 0.00 C ATOM 0 H TRP A 84 -2.610 -0.730 8.018 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.470 0.942 5.890 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -1.971 -1.688 6.017 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -2.314 -0.872 4.505 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.048 -0.778 7.448 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.747 1.154 7.201 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.081 1.586 3.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 2.101 3.357 5.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.981 3.589 2.538 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.073 4.468 3.558 1.00 0.00 H new ATOM 1467 N LEU A 85 -5.001 -1.919 6.318 1.00 0.00 N ATOM 1468 CA LEU A 85 -6.190 -2.687 5.971 1.00 0.00 C ATOM 1469 C LEU A 85 -7.455 -1.850 6.116 1.00 0.00 C ATOM 1470 O LEU A 85 -8.411 -2.038 5.375 1.00 0.00 O ATOM 1471 CB LEU A 85 -6.274 -3.957 6.819 1.00 0.00 C ATOM 1472 CG LEU A 85 -5.810 -5.231 6.118 1.00 0.00 C ATOM 1473 CD1 LEU A 85 -4.431 -5.031 5.505 1.00 0.00 C ATOM 1474 CD2 LEU A 85 -5.794 -6.383 7.106 1.00 0.00 C ATOM 0 H LEU A 85 -4.470 -2.304 7.099 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.108 -2.977 4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.675 -3.816 7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.306 -4.093 7.142 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.507 -5.466 5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.116 -5.949 5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.471 -4.221 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.717 -4.779 6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.462 -7.290 6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.111 -6.152 7.923 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.797 -6.535 7.504 1.00 0.00 H new ATOM 1486 N VAL A 86 -7.468 -0.939 7.075 1.00 0.00 N ATOM 1487 CA VAL A 86 -8.597 -0.041 7.238 1.00 0.00 C ATOM 1488 C VAL A 86 -8.753 0.874 6.019 1.00 0.00 C ATOM 1489 O VAL A 86 -9.834 0.955 5.434 1.00 0.00 O ATOM 1490 CB VAL A 86 -8.439 0.812 8.514 1.00 0.00 C ATOM 1491 CG1 VAL A 86 -9.477 1.925 8.562 1.00 0.00 C ATOM 1492 CG2 VAL A 86 -8.544 -0.065 9.752 1.00 0.00 C ATOM 0 H VAL A 86 -6.714 -0.803 7.748 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.494 -0.653 7.331 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.452 1.273 8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.342 2.510 9.472 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.357 2.572 7.693 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.477 1.491 8.555 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.431 0.550 10.645 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.518 -0.554 9.770 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.759 -0.821 9.730 1.00 0.00 H new ATOM 1502 N ALA A 87 -7.672 1.540 5.624 1.00 0.00 N ATOM 1503 CA ALA A 87 -7.731 2.465 4.493 1.00 0.00 C ATOM 1504 C ALA A 87 -7.853 1.722 3.161 1.00 0.00 C ATOM 1505 O ALA A 87 -8.727 2.017 2.347 1.00 0.00 O ATOM 1506 CB ALA A 87 -6.498 3.361 4.479 1.00 0.00 C ATOM 0 H ALA A 87 -6.755 1.460 6.063 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.623 3.080 4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.555 4.045 3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.454 3.934 5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.602 2.746 4.390 1.00 0.00 H new ATOM 1512 N LEU A 88 -6.981 0.744 2.962 1.00 0.00 N ATOM 1513 CA LEU A 88 -6.935 -0.020 1.721 1.00 0.00 C ATOM 1514 C LEU A 88 -8.117 -0.978 1.606 1.00 0.00 C ATOM 1515 O LEU A 88 -8.745 -1.085 0.553 1.00 0.00 O ATOM 1516 CB LEU A 88 -5.623 -0.800 1.645 1.00 0.00 C ATOM 1517 CG LEU A 88 -4.350 0.055 1.605 1.00 0.00 C ATOM 1518 CD1 LEU A 88 -3.138 -0.771 2.009 1.00 0.00 C ATOM 1519 CD2 LEU A 88 -4.138 0.646 0.218 1.00 0.00 C ATOM 0 H LEU A 88 -6.287 0.458 3.653 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.995 0.683 0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.566 -1.466 2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.645 -1.430 0.756 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.472 0.872 2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.245 -0.147 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.277 -1.150 3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.023 -1.608 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.229 1.248 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.043 -0.160 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.990 1.273 -0.044 1.00 0.00 H new ATOM 1531 N GLY A 89 -8.418 -1.666 2.700 1.00 0.00 N ATOM 1532 CA GLY A 89 -9.448 -2.690 2.689 1.00 0.00 C ATOM 1533 C GLY A 89 -10.832 -2.126 2.444 1.00 0.00 C ATOM 1534 O GLY A 89 -11.665 -2.775 1.809 1.00 0.00 O ATOM 0 H GLY A 89 -7.963 -1.532 3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.217 -3.423 1.916 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.439 -3.218 3.642 1.00 0.00 H new ATOM 1538 N SER A 90 -11.080 -0.914 2.939 1.00 0.00 N ATOM 1539 CA SER A 90 -12.364 -0.260 2.726 1.00 0.00 C ATOM 1540 C SER A 90 -12.564 0.024 1.241 1.00 0.00 C ATOM 1541 O SER A 90 -13.695 0.086 0.759 1.00 0.00 O ATOM 1542 CB SER A 90 -12.455 1.045 3.527 1.00 0.00 C ATOM 1543 OG SER A 90 -13.749 1.619 3.427 1.00 0.00 O ATOM 0 H SER A 90 -10.412 -0.371 3.486 1.00 0.00 H new ATOM 0 HA SER A 90 -13.151 -0.929 3.074 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.221 0.850 4.573 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.711 1.752 3.161 1.00 0.00 H new ATOM 0 HG SER A 90 -13.780 2.449 3.948 1.00 0.00 H new ATOM 1549 N SER A 91 -11.456 0.194 0.527 1.00 0.00 N ATOM 1550 CA SER A 91 -11.492 0.428 -0.903 1.00 0.00 C ATOM 1551 C SER A 91 -11.935 -0.837 -1.631 1.00 0.00 C ATOM 1552 O SER A 91 -12.750 -0.777 -2.549 1.00 0.00 O ATOM 1553 CB SER A 91 -10.115 0.879 -1.400 1.00 0.00 C ATOM 1554 OG SER A 91 -10.171 1.340 -2.739 1.00 0.00 O ATOM 0 H SER A 91 -10.517 0.173 0.924 1.00 0.00 H new ATOM 0 HA SER A 91 -12.212 1.219 -1.113 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.737 1.673 -0.756 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.412 0.049 -1.329 1.00 0.00 H new ATOM 0 HG SER A 91 -9.880 2.275 -2.775 1.00 0.00 H new ATOM 1560 N LYS A 92 -11.403 -1.988 -1.206 1.00 0.00 N ATOM 1561 CA LYS A 92 -11.731 -3.257 -1.826 1.00 0.00 C ATOM 1562 C LYS A 92 -13.221 -3.561 -1.712 1.00 0.00 C ATOM 1563 O LYS A 92 -13.796 -4.225 -2.576 1.00 0.00 O ATOM 1564 CB LYS A 92 -10.942 -4.372 -1.163 1.00 0.00 C ATOM 1565 CG LYS A 92 -10.548 -5.475 -2.121 1.00 0.00 C ATOM 1566 CD LYS A 92 -10.193 -6.764 -1.393 1.00 0.00 C ATOM 1567 CE LYS A 92 -11.400 -7.341 -0.671 1.00 0.00 C ATOM 1568 NZ LYS A 92 -11.130 -8.697 -0.127 1.00 0.00 N ATOM 0 H LYS A 92 -10.742 -2.057 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 92 -11.471 -3.191 -2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.043 -3.953 -0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -11.536 -4.797 -0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.368 -5.664 -2.813 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -9.696 -5.149 -2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.810 -7.494 -2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -9.395 -6.571 -0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -11.688 -6.675 0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.245 -7.388 -1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.990 -9.066 0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.848 -9.332 -0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.364 -8.644 0.574 1.00 0.00 H new ATOM 1582 N ALA A 93 -13.830 -3.079 -0.635 1.00 0.00 N ATOM 1583 CA ALA A 93 -15.238 -3.314 -0.370 1.00 0.00 C ATOM 1584 C ALA A 93 -16.116 -2.685 -1.445 1.00 0.00 C ATOM 1585 O ALA A 93 -16.343 -1.474 -1.446 1.00 0.00 O ATOM 1586 CB ALA A 93 -15.605 -2.772 1.002 1.00 0.00 C ATOM 0 H ALA A 93 -13.361 -2.517 0.075 1.00 0.00 H new ATOM 0 HA ALA A 93 -15.414 -4.390 -0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.663 -2.952 1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.008 -3.274 1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.408 -1.700 1.035 1.00 0.00 H new