USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1018 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 11 CYS SG : rot 79:sc= -3.71! USER MOD Set 1.2: A 12 THR OG1 : rot -76:sc= 0.258 USER MOD Set 1.3: A 45 THR OG1 : rot 140:sc= 0.00701 USER MOD Set 1.4: A 93 HIS : no HE2:sc= -1.61 X(o=-5.1,f=-4.9) USER MOD Set 2.1: A 47 ASN : amide:sc= -0.435 X(o=-1.7,f=-1.9) USER MOD Set 2.2: A 75 GLN : amide:sc= -1.26 X(o=-1.7,f=-2.1) USER MOD Set 3.1: A 14 ASN : amide:sc= -6.28! C(o=-7.1!,f=-8.8!) USER MOD Set 3.2: A 42 SER OG : rot -128:sc= 0.12 USER MOD Set 3.3: A 71 HIS : +bothHN:sc= -0.928 K(o=-7.1,f=-11!) USER MOD Set 4.1: A 27 GLN : amide:sc= -0.0106 X(o=-0.18,f=-0.063) USER MOD Set 4.2: A 31 HIS : no HD1:sc= -0.172 X(o=-0.18,f=0.024) USER MOD Set 5.1: A 28 GLN : amide:sc= -0.0924 K(o=0.46,f=-0.38) USER MOD Set 5.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 5.3: A 150 HIS : no HE2:sc= 0.551 K(o=0.46,f=-1.9!) USER MOD Set 6.1: A 6 HIS : no HE2:sc= -0.226 X(o=-4.2,f=-4.3) USER MOD Set 6.2: A 8 THR OG1 : rot -140:sc= -0.294 USER MOD Set 6.3: A 41 THR OG1 : rot 180:sc=-0.000176 USER MOD Set 6.4: A 80 HIS : no HE2:sc= -3.68! C(o=-4.2!,f=-8.6!) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.0629 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 162:sc= -4.5! (180deg=-5.55!) USER MOD Single : A 23 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.19) USER MOD Single : A 24 MET CE :methyl -144:sc= -1.51 (180deg=-3.19!) USER MOD Single : A 49 HIS : no HD1:sc= -0.811 X(o=-0.81,f=-0.72) USER MOD Single : A 52 SER OG : rot 180:sc= 0.203 USER MOD Single : A 53 CYS SG : rot 33:sc= 0.145 USER MOD Single : A 65 HIS : no HD1:sc= 0.161 K(o=0.16,f=-4.6!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= -0.264 F(o=-1.7!,f=-0.26) USER MOD Single : A 99 GLN : amide:sc= -0.078 K(o=-0.078,f=-1.4) USER MOD Single : A 109 MET CE :methyl -133:sc= -0.797 (180deg=-4.22!) USER MOD Single : A 112 SER OG : rot -31:sc= 0.52 USER MOD Single : A 144 SER OG : rot -140:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 50 N PRO A 4 -6.415 20.753 -17.463 1.00 1.00 N ATOM 51 CA PRO A 4 -6.191 21.483 -16.212 1.00 1.00 C ATOM 52 C PRO A 4 -4.979 22.416 -16.236 1.00 1.00 C ATOM 53 O PRO A 4 -4.164 22.393 -17.165 1.00 1.00 O ATOM 54 CB PRO A 4 -5.957 20.366 -15.201 1.00 1.00 C ATOM 55 CG PRO A 4 -5.415 19.247 -16.010 1.00 1.00 C ATOM 56 CD PRO A 4 -6.114 19.320 -17.324 1.00 1.00 C ATOM 0 HA PRO A 4 -7.032 22.141 -15.993 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -5.255 20.672 -14.425 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -6.883 20.083 -14.700 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -4.336 19.342 -16.135 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -5.597 18.289 -15.523 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -5.483 18.960 -18.137 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -7.021 18.715 -17.332 1.00 1.00 H new ATOM 64 N LEU A 5 -4.879 23.237 -15.193 1.00 1.00 N ATOM 65 CA LEU A 5 -3.764 24.169 -15.030 1.00 1.00 C ATOM 66 C LEU A 5 -2.499 23.432 -14.601 1.00 1.00 C ATOM 67 O LEU A 5 -2.491 22.209 -14.510 1.00 1.00 O ATOM 68 CB LEU A 5 -4.105 25.217 -13.985 1.00 1.00 C ATOM 69 CG LEU A 5 -3.455 26.577 -14.217 1.00 1.00 C ATOM 70 CD1 LEU A 5 -4.391 27.482 -14.992 1.00 1.00 C ATOM 71 CD2 LEU A 5 -3.038 27.215 -12.904 1.00 1.00 C ATOM 0 H LEU A 5 -5.565 23.276 -14.439 1.00 1.00 H new ATOM 0 HA LEU A 5 -3.587 24.651 -15.991 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -5.187 25.346 -13.958 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -3.803 24.847 -13.005 1.00 1.00 H new ATOM 0 HG LEU A 5 -2.552 26.429 -14.810 1.00 1.00 H new ATOM 0 HD11 LEU A 5 -3.914 28.449 -15.150 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -4.620 27.028 -15.956 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -5.313 27.620 -14.428 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -2.578 28.183 -13.100 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -3.915 27.352 -12.271 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -2.322 26.569 -12.397 1.00 1.00 H new ATOM 83 N HIS A 6 -1.443 24.179 -14.284 1.00 1.00 N ATOM 84 CA HIS A 6 -0.188 23.568 -13.861 1.00 1.00 C ATOM 85 C HIS A 6 0.677 24.553 -13.082 1.00 1.00 C ATOM 86 O HIS A 6 1.366 25.371 -13.677 1.00 1.00 O ATOM 87 CB HIS A 6 0.595 23.063 -15.071 1.00 1.00 C ATOM 88 CG HIS A 6 1.139 21.677 -14.907 1.00 1.00 C ATOM 89 ND1 HIS A 6 1.463 20.869 -15.970 1.00 1.00 N ATOM 90 CD2 HIS A 6 1.428 20.963 -13.793 1.00 1.00 C ATOM 91 CE1 HIS A 6 1.930 19.721 -15.524 1.00 1.00 C ATOM 92 NE2 HIS A 6 1.922 19.750 -14.203 1.00 1.00 N ATOM 0 H HIS A 6 -1.432 25.199 -14.312 1.00 1.00 H new ATOM 0 HA HIS A 6 -0.438 22.731 -13.209 1.00 1.00 H new ATOM 0 HB2 HIS A 6 -0.054 23.087 -15.947 1.00 1.00 H new ATOM 0 HB3 HIS A 6 1.421 23.746 -15.268 1.00 1.00 H new ATOM 0 HD1 HIS A 6 1.358 21.120 -16.953 1.00 1.00 H new ATOM 0 HD2 HIS A 6 1.295 21.288 -12.772 1.00 1.00 H new ATOM 0 HE1 HIS A 6 2.263 18.895 -16.135 1.00 1.00 H new ATOM 101 N VAL A 7 0.576 24.526 -11.763 1.00 1.00 N ATOM 102 CA VAL A 7 1.424 25.364 -10.924 1.00 1.00 C ATOM 103 C VAL A 7 2.616 24.553 -10.468 1.00 1.00 C ATOM 104 O VAL A 7 2.452 23.554 -9.782 1.00 1.00 O ATOM 105 CB VAL A 7 0.705 25.887 -9.665 1.00 1.00 C ATOM 106 CG1 VAL A 7 1.380 27.137 -9.141 1.00 1.00 C ATOM 107 CG2 VAL A 7 -0.773 26.128 -9.911 1.00 1.00 C ATOM 0 H VAL A 7 -0.080 23.937 -11.250 1.00 1.00 H new ATOM 0 HA VAL A 7 1.713 26.224 -11.529 1.00 1.00 H new ATOM 0 HB VAL A 7 0.779 25.111 -8.903 1.00 1.00 H new ATOM 0 HG11 VAL A 7 0.856 27.488 -8.252 1.00 1.00 H new ATOM 0 HG12 VAL A 7 2.416 26.912 -8.886 1.00 1.00 H new ATOM 0 HG13 VAL A 7 1.355 27.912 -9.907 1.00 1.00 H new ATOM 0 HG21 VAL A 7 -1.239 26.496 -8.997 1.00 1.00 H new ATOM 0 HG22 VAL A 7 -0.894 26.867 -10.703 1.00 1.00 H new ATOM 0 HG23 VAL A 7 -1.249 25.194 -10.210 1.00 1.00 H new ATOM 117 N THR A 8 3.791 24.916 -10.919 1.00 1.00 N ATOM 118 CA THR A 8 4.993 24.221 -10.502 1.00 1.00 C ATOM 119 C THR A 8 5.883 25.156 -9.680 1.00 1.00 C ATOM 120 O THR A 8 6.323 26.195 -10.162 1.00 1.00 O ATOM 121 CB THR A 8 5.763 23.630 -11.714 1.00 1.00 C ATOM 122 OG1 THR A 8 6.818 22.769 -11.261 1.00 1.00 O ATOM 123 CG2 THR A 8 6.347 24.707 -12.613 1.00 1.00 C ATOM 0 H THR A 8 3.945 25.684 -11.572 1.00 1.00 H new ATOM 0 HA THR A 8 4.699 23.381 -9.873 1.00 1.00 H new ATOM 0 HB THR A 8 5.040 23.062 -12.299 1.00 1.00 H new ATOM 0 HG1 THR A 8 7.612 22.903 -11.819 1.00 1.00 H new ATOM 0 HG21 THR A 8 6.875 24.240 -13.445 1.00 1.00 H new ATOM 0 HG22 THR A 8 5.543 25.334 -12.999 1.00 1.00 H new ATOM 0 HG23 THR A 8 7.043 25.321 -12.041 1.00 1.00 H new ATOM 131 N PHE A 9 6.076 24.834 -8.407 1.00 1.00 N ATOM 132 CA PHE A 9 6.912 25.673 -7.545 1.00 1.00 C ATOM 133 C PHE A 9 8.370 25.332 -7.766 1.00 1.00 C ATOM 134 O PHE A 9 8.703 24.181 -8.036 1.00 1.00 O ATOM 135 CB PHE A 9 6.578 25.482 -6.068 1.00 1.00 C ATOM 136 CG PHE A 9 5.144 25.170 -5.810 1.00 1.00 C ATOM 137 CD1 PHE A 9 4.164 26.134 -5.959 1.00 1.00 C ATOM 138 CD2 PHE A 9 4.776 23.901 -5.421 1.00 1.00 C ATOM 139 CE1 PHE A 9 2.847 25.835 -5.724 1.00 1.00 C ATOM 140 CE2 PHE A 9 3.459 23.596 -5.184 1.00 1.00 C ATOM 141 CZ PHE A 9 2.494 24.562 -5.335 1.00 1.00 C ATOM 0 H PHE A 9 5.675 24.014 -7.951 1.00 1.00 H new ATOM 0 HA PHE A 9 6.716 26.713 -7.808 1.00 1.00 H new ATOM 0 HB2 PHE A 9 7.193 24.676 -5.668 1.00 1.00 H new ATOM 0 HB3 PHE A 9 6.846 26.388 -5.525 1.00 1.00 H new ATOM 0 HD1 PHE A 9 4.439 27.133 -6.264 1.00 1.00 H new ATOM 0 HD2 PHE A 9 5.531 23.138 -5.301 1.00 1.00 H new ATOM 0 HE1 PHE A 9 2.089 26.595 -5.843 1.00 1.00 H new ATOM 0 HE2 PHE A 9 3.182 22.598 -4.879 1.00 1.00 H new ATOM 0 HZ PHE A 9 1.457 24.323 -5.148 1.00 1.00 H new ATOM 151 N VAL A 10 9.241 26.316 -7.654 1.00 1.00 N ATOM 152 CA VAL A 10 10.652 26.097 -7.900 1.00 1.00 C ATOM 153 C VAL A 10 11.511 26.650 -6.771 1.00 1.00 C ATOM 154 O VAL A 10 11.585 27.866 -6.563 1.00 1.00 O ATOM 155 CB VAL A 10 11.086 26.766 -9.210 1.00 1.00 C ATOM 156 CG1 VAL A 10 12.533 26.450 -9.520 1.00 1.00 C ATOM 157 CG2 VAL A 10 10.189 26.344 -10.359 1.00 1.00 C ATOM 0 H VAL A 10 8.997 27.272 -7.395 1.00 1.00 H new ATOM 0 HA VAL A 10 10.796 25.018 -7.965 1.00 1.00 H new ATOM 0 HB VAL A 10 10.990 27.844 -9.084 1.00 1.00 H new ATOM 0 HG11 VAL A 10 12.819 26.935 -10.453 1.00 1.00 H new ATOM 0 HG12 VAL A 10 13.166 26.816 -8.712 1.00 1.00 H new ATOM 0 HG13 VAL A 10 12.657 25.372 -9.618 1.00 1.00 H new ATOM 0 HG21 VAL A 10 10.518 26.833 -11.276 1.00 1.00 H new ATOM 0 HG22 VAL A 10 10.243 25.263 -10.484 1.00 1.00 H new ATOM 0 HG23 VAL A 10 9.161 26.633 -10.143 1.00 1.00 H new ATOM 167 N CYS A 11 12.176 25.755 -6.061 1.00 1.00 N ATOM 168 CA CYS A 11 13.074 26.135 -4.987 1.00 1.00 C ATOM 169 C CYS A 11 14.259 25.182 -4.978 1.00 1.00 C ATOM 170 O CYS A 11 14.195 24.107 -5.572 1.00 1.00 O ATOM 171 CB CYS A 11 12.352 26.103 -3.637 1.00 1.00 C ATOM 172 SG CYS A 11 13.348 26.711 -2.251 1.00 1.00 S ATOM 0 H CYS A 11 12.108 24.749 -6.213 1.00 1.00 H new ATOM 0 HA CYS A 11 13.423 27.154 -5.152 1.00 1.00 H new ATOM 0 HB2 CYS A 11 11.444 26.702 -3.708 1.00 1.00 H new ATOM 0 HB3 CYS A 11 12.043 25.079 -3.427 1.00 1.00 H new ATOM 0 HG CYS A 11 13.356 28.011 -2.260 1.00 1.00 H new ATOM 178 N THR A 12 15.344 25.580 -4.343 1.00 1.00 N ATOM 179 CA THR A 12 16.529 24.750 -4.286 1.00 1.00 C ATOM 180 C THR A 12 16.345 23.594 -3.311 1.00 1.00 C ATOM 181 O THR A 12 16.424 23.765 -2.097 1.00 1.00 O ATOM 182 CB THR A 12 17.755 25.586 -3.895 1.00 1.00 C ATOM 183 OG1 THR A 12 17.334 26.848 -3.361 1.00 1.00 O ATOM 184 CG2 THR A 12 18.650 25.812 -5.099 1.00 1.00 C ATOM 0 H THR A 12 15.428 26.474 -3.859 1.00 1.00 H new ATOM 0 HA THR A 12 16.692 24.333 -5.280 1.00 1.00 H new ATOM 0 HB THR A 12 18.319 25.043 -3.137 1.00 1.00 H new ATOM 0 HG1 THR A 12 17.039 27.431 -4.092 1.00 1.00 H new ATOM 0 HG21 THR A 12 19.514 26.407 -4.803 1.00 1.00 H new ATOM 0 HG22 THR A 12 18.987 24.851 -5.488 1.00 1.00 H new ATOM 0 HG23 THR A 12 18.093 26.341 -5.872 1.00 1.00 H new ATOM 192 N GLY A 13 15.983 22.441 -3.856 1.00 1.00 N ATOM 193 CA GLY A 13 15.774 21.262 -3.045 1.00 1.00 C ATOM 194 C GLY A 13 14.460 20.598 -3.374 1.00 1.00 C ATOM 195 O GLY A 13 14.403 19.383 -3.557 1.00 1.00 O ATOM 0 H GLY A 13 15.830 22.302 -4.855 1.00 1.00 H new ATOM 0 HA2 GLY A 13 16.590 20.558 -3.206 1.00 1.00 H new ATOM 0 HA3 GLY A 13 15.792 21.535 -1.990 1.00 1.00 H new ATOM 199 N ASN A 14 13.417 21.423 -3.498 1.00 1.00 N ATOM 200 CA ASN A 14 12.062 20.958 -3.812 1.00 1.00 C ATOM 201 C ASN A 14 11.551 19.987 -2.748 1.00 1.00 C ATOM 202 O ASN A 14 10.703 19.126 -3.005 1.00 1.00 O ATOM 203 CB ASN A 14 12.021 20.301 -5.195 1.00 1.00 C ATOM 204 CG ASN A 14 10.603 20.033 -5.648 1.00 1.00 C ATOM 205 OD1 ASN A 14 9.667 20.660 -5.169 1.00 1.00 O ATOM 206 ND2 ASN A 14 10.441 19.135 -6.602 1.00 1.00 N ATOM 0 H ASN A 14 13.488 22.434 -3.383 1.00 1.00 H new ATOM 0 HA ASN A 14 11.406 21.829 -3.821 1.00 1.00 H new ATOM 0 HB2 ASN A 14 12.518 20.947 -5.919 1.00 1.00 H new ATOM 0 HB3 ASN A 14 12.577 19.364 -5.169 1.00 1.00 H new ATOM 0 HD21 ASN A 14 9.509 18.942 -6.967 1.00 1.00 H new ATOM 0 HD22 ASN A 14 11.248 18.634 -6.974 1.00 1.00 H new ATOM 213 N ILE A 15 12.028 20.160 -1.533 1.00 1.00 N ATOM 214 CA ILE A 15 11.621 19.297 -0.441 1.00 1.00 C ATOM 215 C ILE A 15 11.203 20.098 0.782 1.00 1.00 C ATOM 216 O ILE A 15 10.902 19.527 1.817 1.00 1.00 O ATOM 217 CB ILE A 15 12.744 18.314 -0.055 1.00 1.00 C ATOM 218 CG1 ILE A 15 14.073 19.052 0.138 1.00 1.00 C ATOM 219 CG2 ILE A 15 12.877 17.237 -1.119 1.00 1.00 C ATOM 220 CD1 ILE A 15 14.955 18.434 1.196 1.00 1.00 C ATOM 0 H ILE A 15 12.696 20.887 -1.276 1.00 1.00 H new ATOM 0 HA ILE A 15 10.760 18.729 -0.795 1.00 1.00 H new ATOM 0 HB ILE A 15 12.484 17.842 0.893 1.00 1.00 H new ATOM 0 HG12 ILE A 15 14.612 19.068 -0.809 1.00 1.00 H new ATOM 0 HG13 ILE A 15 13.869 20.089 0.406 1.00 1.00 H new ATOM 0 HG21 ILE A 15 13.672 16.546 -0.840 1.00 1.00 H new ATOM 0 HG22 ILE A 15 11.937 16.692 -1.205 1.00 1.00 H new ATOM 0 HG23 ILE A 15 13.117 17.699 -2.076 1.00 1.00 H new ATOM 0 HD11 ILE A 15 15.879 19.007 1.280 1.00 1.00 H new ATOM 0 HD12 ILE A 15 14.435 18.442 2.154 1.00 1.00 H new ATOM 0 HD13 ILE A 15 15.189 17.406 0.919 1.00 1.00 H new ATOM 232 N CYS A 16 11.054 21.405 0.629 1.00 1.00 N ATOM 233 CA CYS A 16 10.684 22.234 1.764 1.00 1.00 C ATOM 234 C CYS A 16 9.435 23.069 1.469 1.00 1.00 C ATOM 235 O CYS A 16 8.318 22.573 1.565 1.00 1.00 O ATOM 236 CB CYS A 16 11.850 23.143 2.152 1.00 1.00 C ATOM 237 SG CYS A 16 13.450 22.303 2.226 1.00 1.00 S ATOM 0 H CYS A 16 11.181 21.906 -0.251 1.00 1.00 H new ATOM 0 HA CYS A 16 10.450 21.573 2.599 1.00 1.00 H new ATOM 0 HB2 CYS A 16 11.914 23.960 1.434 1.00 1.00 H new ATOM 0 HB3 CYS A 16 11.641 23.589 3.124 1.00 1.00 H new ATOM 0 HG CYS A 16 14.373 23.156 2.560 1.00 1.00 H new ATOM 243 N ARG A 17 9.646 24.264 0.931 1.00 1.00 N ATOM 244 CA ARG A 17 8.553 25.202 0.671 1.00 1.00 C ATOM 245 C ARG A 17 7.709 24.791 -0.532 1.00 1.00 C ATOM 246 O ARG A 17 6.490 24.957 -0.523 1.00 1.00 O ATOM 247 CB ARG A 17 9.122 26.611 0.491 1.00 1.00 C ATOM 248 CG ARG A 17 10.411 26.642 -0.314 1.00 1.00 C ATOM 249 CD ARG A 17 11.149 27.959 -0.141 1.00 1.00 C ATOM 250 NE ARG A 17 11.354 28.288 1.265 1.00 1.00 N ATOM 251 CZ ARG A 17 12.537 28.351 1.869 1.00 1.00 C ATOM 252 NH1 ARG A 17 13.658 28.066 1.210 1.00 1.00 N ATOM 253 NH2 ARG A 17 12.586 28.711 3.140 1.00 1.00 N ATOM 0 H ARG A 17 10.567 24.611 0.664 1.00 1.00 H new ATOM 0 HA ARG A 17 7.885 25.190 1.532 1.00 1.00 H new ATOM 0 HB2 ARG A 17 8.378 27.235 -0.004 1.00 1.00 H new ATOM 0 HB3 ARG A 17 9.304 27.050 1.472 1.00 1.00 H new ATOM 0 HG2 ARG A 17 11.055 25.820 -0.002 1.00 1.00 H new ATOM 0 HG3 ARG A 17 10.185 26.487 -1.369 1.00 1.00 H new ATOM 0 HD2 ARG A 17 12.114 27.903 -0.645 1.00 1.00 H new ATOM 0 HD3 ARG A 17 10.584 28.757 -0.622 1.00 1.00 H new ATOM 0 HE ARG A 17 10.527 28.485 1.828 1.00 1.00 H new ATOM 0 HH11 ARG A 17 13.617 27.795 0.228 1.00 1.00 H new ATOM 0 HH12 ARG A 17 14.558 28.119 1.687 1.00 1.00 H new ATOM 0 HH21 ARG A 17 11.726 28.935 3.640 1.00 1.00 H new ATOM 0 HH22 ARG A 17 13.484 28.765 3.620 1.00 1.00 H new ATOM 267 N SER A 18 8.346 24.226 -1.549 1.00 1.00 N ATOM 268 CA SER A 18 7.628 23.778 -2.737 1.00 1.00 C ATOM 269 C SER A 18 6.557 22.731 -2.376 1.00 1.00 C ATOM 270 O SER A 18 5.368 22.978 -2.572 1.00 1.00 O ATOM 271 CB SER A 18 8.611 23.234 -3.777 1.00 1.00 C ATOM 272 OG SER A 18 9.643 24.173 -4.039 1.00 1.00 O ATOM 0 H SER A 18 9.353 24.067 -1.577 1.00 1.00 H new ATOM 0 HA SER A 18 7.112 24.634 -3.172 1.00 1.00 H new ATOM 0 HB2 SER A 18 9.046 22.301 -3.419 1.00 1.00 H new ATOM 0 HB3 SER A 18 8.079 23.005 -4.701 1.00 1.00 H new ATOM 0 HG SER A 18 10.260 23.804 -4.705 1.00 1.00 H new ATOM 278 N PRO A 19 6.940 21.588 -1.764 1.00 1.00 N ATOM 279 CA PRO A 19 5.974 20.558 -1.362 1.00 1.00 C ATOM 280 C PRO A 19 4.981 21.080 -0.341 1.00 1.00 C ATOM 281 O PRO A 19 3.846 20.647 -0.331 1.00 1.00 O ATOM 282 CB PRO A 19 6.846 19.454 -0.760 1.00 1.00 C ATOM 283 CG PRO A 19 8.096 20.140 -0.359 1.00 1.00 C ATOM 284 CD PRO A 19 8.312 21.216 -1.379 1.00 1.00 C ATOM 0 HA PRO A 19 5.368 20.215 -2.200 1.00 1.00 H new ATOM 0 HB2 PRO A 19 6.359 18.987 0.096 1.00 1.00 H new ATOM 0 HB3 PRO A 19 7.043 18.665 -1.485 1.00 1.00 H new ATOM 0 HG2 PRO A 19 8.008 20.562 0.642 1.00 1.00 H new ATOM 0 HG3 PRO A 19 8.935 19.445 -0.339 1.00 1.00 H new ATOM 0 HD2 PRO A 19 8.858 22.063 -0.963 1.00 1.00 H new ATOM 0 HD3 PRO A 19 8.886 20.854 -2.232 1.00 1.00 H new ATOM 292 N MET A 20 5.372 22.083 0.437 1.00 1.00 N ATOM 293 CA MET A 20 4.476 22.642 1.444 1.00 1.00 C ATOM 294 C MET A 20 3.237 23.250 0.799 1.00 1.00 C ATOM 295 O MET A 20 2.123 22.811 1.065 1.00 1.00 O ATOM 296 CB MET A 20 5.179 23.690 2.298 1.00 1.00 C ATOM 297 CG MET A 20 6.088 23.096 3.352 1.00 1.00 C ATOM 298 SD MET A 20 6.671 24.316 4.535 1.00 1.00 S ATOM 299 CE MET A 20 5.115 24.833 5.244 1.00 1.00 C ATOM 0 H MET A 20 6.292 22.522 0.392 1.00 1.00 H new ATOM 0 HA MET A 20 4.170 21.819 2.090 1.00 1.00 H new ATOM 0 HB2 MET A 20 5.764 24.343 1.650 1.00 1.00 H new ATOM 0 HB3 MET A 20 4.429 24.313 2.785 1.00 1.00 H new ATOM 0 HG2 MET A 20 5.555 22.307 3.883 1.00 1.00 H new ATOM 0 HG3 MET A 20 6.945 22.630 2.866 1.00 1.00 H new ATOM 0 HE1 MET A 20 5.297 25.335 6.194 1.00 1.00 H new ATOM 0 HE2 MET A 20 4.614 25.519 4.561 1.00 1.00 H new ATOM 0 HE3 MET A 20 4.483 23.961 5.410 1.00 1.00 H new ATOM 309 N ALA A 21 3.443 24.163 -0.144 1.00 1.00 N ATOM 310 CA ALA A 21 2.314 24.807 -0.810 1.00 1.00 C ATOM 311 C ALA A 21 1.614 23.809 -1.704 1.00 1.00 C ATOM 312 O ALA A 21 0.397 23.869 -1.883 1.00 1.00 O ATOM 313 CB ALA A 21 2.742 26.024 -1.612 1.00 1.00 C ATOM 0 H ALA A 21 4.363 24.470 -0.461 1.00 1.00 H new ATOM 0 HA ALA A 21 1.626 25.156 -0.039 1.00 1.00 H new ATOM 0 HB1 ALA A 21 1.870 26.470 -2.090 1.00 1.00 H new ATOM 0 HB2 ALA A 21 3.205 26.753 -0.947 1.00 1.00 H new ATOM 0 HB3 ALA A 21 3.459 25.723 -2.376 1.00 1.00 H new ATOM 319 N GLU A 22 2.389 22.844 -2.183 1.00 1.00 N ATOM 320 CA GLU A 22 1.876 21.789 -3.034 1.00 1.00 C ATOM 321 C GLU A 22 0.703 21.108 -2.338 1.00 1.00 C ATOM 322 O GLU A 22 -0.421 21.173 -2.798 1.00 1.00 O ATOM 323 CB GLU A 22 2.983 20.766 -3.318 1.00 1.00 C ATOM 324 CG GLU A 22 2.816 19.994 -4.616 1.00 1.00 C ATOM 325 CD GLU A 22 3.669 18.742 -4.649 1.00 1.00 C ATOM 326 OE1 GLU A 22 4.839 18.826 -5.076 1.00 1.00 O ATOM 327 OE2 GLU A 22 3.171 17.665 -4.276 1.00 1.00 O ATOM 0 H GLU A 22 3.388 22.775 -1.990 1.00 1.00 H new ATOM 0 HA GLU A 22 1.539 22.214 -3.979 1.00 1.00 H new ATOM 0 HB2 GLU A 22 3.941 21.285 -3.340 1.00 1.00 H new ATOM 0 HB3 GLU A 22 3.024 20.056 -2.492 1.00 1.00 H new ATOM 0 HG2 GLU A 22 1.768 19.722 -4.743 1.00 1.00 H new ATOM 0 HG3 GLU A 22 3.082 20.636 -5.456 1.00 1.00 H new ATOM 334 N LYS A 23 0.929 20.695 -1.104 1.00 1.00 N ATOM 335 CA LYS A 23 -0.091 19.972 -0.365 1.00 1.00 C ATOM 336 C LYS A 23 -1.107 20.942 0.213 1.00 1.00 C ATOM 337 O LYS A 23 -2.273 20.612 0.329 1.00 1.00 O ATOM 338 CB LYS A 23 0.509 19.133 0.771 1.00 1.00 C ATOM 339 CG LYS A 23 2.006 18.918 0.673 1.00 1.00 C ATOM 340 CD LYS A 23 2.384 17.491 0.334 1.00 1.00 C ATOM 341 CE LYS A 23 2.904 17.364 -1.084 1.00 1.00 C ATOM 342 NZ LYS A 23 1.804 17.314 -2.086 1.00 1.00 N ATOM 0 H LYS A 23 1.801 20.846 -0.596 1.00 1.00 H new ATOM 0 HA LYS A 23 -0.578 19.295 -1.067 1.00 1.00 H new ATOM 0 HB2 LYS A 23 0.286 19.619 1.721 1.00 1.00 H new ATOM 0 HB3 LYS A 23 0.016 18.161 0.787 1.00 1.00 H new ATOM 0 HG2 LYS A 23 2.413 19.585 -0.087 1.00 1.00 H new ATOM 0 HG3 LYS A 23 2.469 19.194 1.620 1.00 1.00 H new ATOM 0 HD2 LYS A 23 3.145 17.142 1.032 1.00 1.00 H new ATOM 0 HD3 LYS A 23 1.515 16.846 0.461 1.00 1.00 H new ATOM 0 HE2 LYS A 23 3.557 18.208 -1.306 1.00 1.00 H new ATOM 0 HE3 LYS A 23 3.510 16.462 -1.167 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 2.207 17.312 -3.045 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 1.245 16.449 -1.944 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 1.191 18.146 -1.970 1.00 1.00 H new ATOM 356 N MET A 24 -0.670 22.156 0.520 1.00 1.00 N ATOM 357 CA MET A 24 -1.534 23.142 1.152 1.00 1.00 C ATOM 358 C MET A 24 -2.718 23.546 0.279 1.00 1.00 C ATOM 359 O MET A 24 -3.845 23.073 0.474 1.00 1.00 O ATOM 360 CB MET A 24 -0.728 24.373 1.534 1.00 1.00 C ATOM 361 CG MET A 24 0.145 24.151 2.753 1.00 1.00 C ATOM 362 SD MET A 24 -0.431 25.048 4.201 1.00 1.00 S ATOM 363 CE MET A 24 0.139 26.703 3.825 1.00 1.00 C ATOM 0 H MET A 24 0.280 22.481 0.341 1.00 1.00 H new ATOM 0 HA MET A 24 -1.945 22.672 2.045 1.00 1.00 H new ATOM 0 HB2 MET A 24 -0.100 24.666 0.692 1.00 1.00 H new ATOM 0 HB3 MET A 24 -1.409 25.202 1.727 1.00 1.00 H new ATOM 0 HG2 MET A 24 0.177 23.086 2.981 1.00 1.00 H new ATOM 0 HG3 MET A 24 1.165 24.459 2.524 1.00 1.00 H new ATOM 0 HE1 MET A 24 0.455 27.197 4.744 1.00 1.00 H new ATOM 0 HE2 MET A 24 0.980 26.650 3.134 1.00 1.00 H new ATOM 0 HE3 MET A 24 -0.671 27.272 3.368 1.00 1.00 H new ATOM 373 N PHE A 25 -2.467 24.370 -0.724 1.00 1.00 N ATOM 374 CA PHE A 25 -3.559 24.884 -1.526 1.00 1.00 C ATOM 375 C PHE A 25 -4.064 23.839 -2.502 1.00 1.00 C ATOM 376 O PHE A 25 -5.246 23.844 -2.846 1.00 1.00 O ATOM 377 CB PHE A 25 -3.167 26.182 -2.244 1.00 1.00 C ATOM 378 CG PHE A 25 -2.288 26.028 -3.442 1.00 1.00 C ATOM 379 CD1 PHE A 25 -2.826 25.822 -4.701 1.00 1.00 C ATOM 380 CD2 PHE A 25 -0.921 26.126 -3.310 1.00 1.00 C ATOM 381 CE1 PHE A 25 -2.005 25.709 -5.804 1.00 1.00 C ATOM 382 CE2 PHE A 25 -0.103 26.021 -4.401 1.00 1.00 C ATOM 383 CZ PHE A 25 -0.642 25.811 -5.651 1.00 1.00 C ATOM 0 H PHE A 25 -1.538 24.691 -0.997 1.00 1.00 H new ATOM 0 HA PHE A 25 -4.379 25.124 -0.849 1.00 1.00 H new ATOM 0 HB2 PHE A 25 -4.079 26.694 -2.551 1.00 1.00 H new ATOM 0 HB3 PHE A 25 -2.662 26.831 -1.529 1.00 1.00 H new ATOM 0 HD1 PHE A 25 -3.897 25.749 -4.821 1.00 1.00 H new ATOM 0 HD2 PHE A 25 -0.490 26.288 -2.333 1.00 1.00 H new ATOM 0 HE1 PHE A 25 -2.430 25.541 -6.782 1.00 1.00 H new ATOM 0 HE2 PHE A 25 0.967 26.103 -4.282 1.00 1.00 H new ATOM 0 HZ PHE A 25 0.006 25.726 -6.511 1.00 1.00 H new ATOM 393 N ALA A 26 -3.196 22.935 -2.951 1.00 1.00 N ATOM 394 CA ALA A 26 -3.658 21.911 -3.883 1.00 1.00 C ATOM 395 C ALA A 26 -4.672 20.983 -3.222 1.00 1.00 C ATOM 396 O ALA A 26 -5.643 20.571 -3.859 1.00 1.00 O ATOM 397 CB ALA A 26 -2.519 21.128 -4.484 1.00 1.00 C ATOM 0 H ALA A 26 -2.209 22.889 -2.698 1.00 1.00 H new ATOM 0 HA ALA A 26 -4.154 22.430 -4.703 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -2.914 20.379 -5.170 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -1.859 21.805 -5.027 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -1.959 20.633 -3.690 1.00 1.00 H new ATOM 403 N GLN A 27 -4.453 20.660 -1.937 1.00 1.00 N ATOM 404 CA GLN A 27 -5.387 19.820 -1.208 1.00 1.00 C ATOM 405 C GLN A 27 -6.720 20.542 -1.121 1.00 1.00 C ATOM 406 O GLN A 27 -7.775 19.946 -1.330 1.00 1.00 O ATOM 407 CB GLN A 27 -4.846 19.462 0.175 1.00 1.00 C ATOM 408 CG GLN A 27 -5.232 20.414 1.293 1.00 1.00 C ATOM 409 CD GLN A 27 -6.350 19.858 2.138 1.00 1.00 C ATOM 410 OE1 GLN A 27 -7.516 20.213 1.977 1.00 1.00 O ATOM 411 NE2 GLN A 27 -5.997 18.911 2.977 1.00 1.00 N ATOM 0 H GLN A 27 -3.645 20.968 -1.396 1.00 1.00 H new ATOM 0 HA GLN A 27 -5.524 18.877 -1.738 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -5.195 18.463 0.435 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -3.758 19.415 0.120 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -4.363 20.609 1.922 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -5.538 21.370 0.868 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -5.014 18.654 3.072 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -6.705 18.432 3.533 1.00 1.00 H new ATOM 420 N GLN A 28 -6.651 21.854 -0.894 1.00 1.00 N ATOM 421 CA GLN A 28 -7.845 22.685 -0.859 1.00 1.00 C ATOM 422 C GLN A 28 -8.605 22.565 -2.175 1.00 1.00 C ATOM 423 O GLN A 28 -9.817 22.344 -2.187 1.00 1.00 O ATOM 424 CB GLN A 28 -7.476 24.145 -0.610 1.00 1.00 C ATOM 425 CG GLN A 28 -6.786 24.395 0.719 1.00 1.00 C ATOM 426 CD GLN A 28 -6.409 25.852 0.900 1.00 1.00 C ATOM 427 OE1 GLN A 28 -7.043 26.745 0.334 1.00 1.00 O ATOM 428 NE2 GLN A 28 -5.387 26.105 1.700 1.00 1.00 N ATOM 0 H GLN A 28 -5.780 22.360 -0.732 1.00 1.00 H new ATOM 0 HA GLN A 28 -8.480 22.339 -0.043 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -6.824 24.486 -1.415 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -8.382 24.750 -0.656 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -7.444 24.087 1.532 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -5.890 23.778 0.783 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -4.889 25.337 2.149 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -5.097 27.068 1.868 1.00 1.00 H new ATOM 437 N LEU A 29 -7.871 22.686 -3.278 1.00 1.00 N ATOM 438 CA LEU A 29 -8.448 22.603 -4.615 1.00 1.00 C ATOM 439 C LEU A 29 -9.263 21.324 -4.782 1.00 1.00 C ATOM 440 O LEU A 29 -10.450 21.372 -5.087 1.00 1.00 O ATOM 441 CB LEU A 29 -7.346 22.659 -5.673 1.00 1.00 C ATOM 442 CG LEU A 29 -6.521 23.947 -5.689 1.00 1.00 C ATOM 443 CD1 LEU A 29 -5.379 23.828 -6.681 1.00 1.00 C ATOM 444 CD2 LEU A 29 -7.400 25.141 -6.024 1.00 1.00 C ATOM 0 H LEU A 29 -6.863 22.844 -3.270 1.00 1.00 H new ATOM 0 HA LEU A 29 -9.114 23.455 -4.747 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -6.672 21.817 -5.517 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -7.800 22.526 -6.655 1.00 1.00 H new ATOM 0 HG LEU A 29 -6.101 24.102 -4.695 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -4.800 24.752 -6.682 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -4.735 22.996 -6.396 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -5.781 23.650 -7.679 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -6.795 26.048 -6.031 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -7.850 24.998 -7.007 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -8.187 25.235 -5.275 1.00 1.00 H new ATOM 456 N ARG A 30 -8.627 20.180 -4.615 1.00 1.00 N ATOM 457 CA ARG A 30 -9.340 18.912 -4.735 1.00 1.00 C ATOM 458 C ARG A 30 -10.486 18.819 -3.718 1.00 1.00 C ATOM 459 O ARG A 30 -11.559 18.316 -4.037 1.00 1.00 O ATOM 460 CB ARG A 30 -8.384 17.716 -4.624 1.00 1.00 C ATOM 461 CG ARG A 30 -7.453 17.761 -3.425 1.00 1.00 C ATOM 462 CD ARG A 30 -6.003 17.586 -3.847 1.00 1.00 C ATOM 463 NE ARG A 30 -5.767 16.298 -4.496 1.00 1.00 N ATOM 464 CZ ARG A 30 -5.011 16.130 -5.581 1.00 1.00 C ATOM 465 NH1 ARG A 30 -4.407 17.168 -6.152 1.00 1.00 N ATOM 466 NH2 ARG A 30 -4.856 14.915 -6.086 1.00 1.00 N ATOM 0 H ARG A 30 -7.634 20.097 -4.399 1.00 1.00 H new ATOM 0 HA ARG A 30 -9.784 18.877 -5.730 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -8.973 16.800 -4.576 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -7.784 17.662 -5.532 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -7.571 18.712 -2.905 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -7.726 16.976 -2.720 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -5.725 18.390 -4.528 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -5.359 17.673 -2.972 1.00 1.00 H new ATOM 0 HE ARG A 30 -6.210 15.473 -4.092 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -4.520 18.103 -5.760 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -3.831 17.029 -6.982 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -5.313 14.117 -5.645 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -4.279 14.777 -6.916 1.00 1.00 H new ATOM 480 N HIS A 31 -10.266 19.346 -2.511 1.00 1.00 N ATOM 481 CA HIS A 31 -11.297 19.346 -1.465 1.00 1.00 C ATOM 482 C HIS A 31 -12.528 20.181 -1.841 1.00 1.00 C ATOM 483 O HIS A 31 -13.601 20.001 -1.269 1.00 1.00 O ATOM 484 CB HIS A 31 -10.719 19.811 -0.129 1.00 1.00 C ATOM 485 CG HIS A 31 -10.196 18.675 0.696 1.00 1.00 C ATOM 486 ND1 HIS A 31 -10.867 18.158 1.781 1.00 1.00 N ATOM 487 CD2 HIS A 31 -9.068 17.939 0.570 1.00 1.00 C ATOM 488 CE1 HIS A 31 -10.173 17.154 2.287 1.00 1.00 C ATOM 489 NE2 HIS A 31 -9.076 16.999 1.567 1.00 1.00 N ATOM 0 H HIS A 31 -9.385 19.778 -2.232 1.00 1.00 H new ATOM 0 HA HIS A 31 -11.635 18.315 -1.364 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -9.914 20.523 -0.313 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -11.490 20.339 0.433 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -8.301 18.069 -0.179 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -10.455 16.560 3.144 1.00 1.00 H new ATOM 0 HE2 HIS A 31 -8.354 16.296 1.727 1.00 1.00 H new ATOM 498 N ARG A 32 -12.367 21.109 -2.775 1.00 1.00 N ATOM 499 CA ARG A 32 -13.518 21.878 -3.235 1.00 1.00 C ATOM 500 C ARG A 32 -14.037 21.306 -4.543 1.00 1.00 C ATOM 501 O ARG A 32 -15.196 21.489 -4.905 1.00 1.00 O ATOM 502 CB ARG A 32 -13.195 23.361 -3.357 1.00 1.00 C ATOM 503 CG ARG A 32 -11.890 23.664 -4.053 1.00 1.00 C ATOM 504 CD ARG A 32 -11.285 24.937 -3.510 1.00 1.00 C ATOM 505 NE ARG A 32 -11.020 24.843 -2.074 1.00 1.00 N ATOM 506 CZ ARG A 32 -10.971 25.888 -1.250 1.00 1.00 C ATOM 507 NH1 ARG A 32 -11.212 27.112 -1.709 1.00 1.00 N ATOM 508 NH2 ARG A 32 -10.704 25.706 0.036 1.00 1.00 N ATOM 0 H ARG A 32 -11.479 21.344 -3.219 1.00 1.00 H new ATOM 0 HA ARG A 32 -14.306 21.794 -2.487 1.00 1.00 H new ATOM 0 HB2 ARG A 32 -14.003 23.852 -3.899 1.00 1.00 H new ATOM 0 HB3 ARG A 32 -13.169 23.797 -2.358 1.00 1.00 H new ATOM 0 HG2 ARG A 32 -11.195 22.836 -3.913 1.00 1.00 H new ATOM 0 HG3 ARG A 32 -12.057 23.762 -5.126 1.00 1.00 H new ATOM 0 HD2 ARG A 32 -10.356 25.152 -4.038 1.00 1.00 H new ATOM 0 HD3 ARG A 32 -11.960 25.771 -3.701 1.00 1.00 H new ATOM 0 HE ARG A 32 -10.862 23.916 -1.678 1.00 1.00 H new ATOM 0 HH11 ARG A 32 -11.435 27.252 -2.694 1.00 1.00 H new ATOM 0 HH12 ARG A 32 -11.174 27.911 -1.076 1.00 1.00 H new ATOM 0 HH21 ARG A 32 -10.536 24.766 0.394 1.00 1.00 H new ATOM 0 HH22 ARG A 32 -10.666 26.506 0.667 1.00 1.00 H new ATOM 522 N GLY A 33 -13.168 20.586 -5.225 1.00 1.00 N ATOM 523 CA GLY A 33 -13.535 19.956 -6.472 1.00 1.00 C ATOM 524 C GLY A 33 -12.911 20.645 -7.657 1.00 1.00 C ATOM 525 O GLY A 33 -13.559 20.835 -8.685 1.00 1.00 O ATOM 0 H GLY A 33 -12.204 20.424 -4.934 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -13.225 18.911 -6.455 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -14.620 19.965 -6.577 1.00 1.00 H new ATOM 529 N LEU A 34 -11.638 21.009 -7.524 1.00 1.00 N ATOM 530 CA LEU A 34 -10.925 21.716 -8.578 1.00 1.00 C ATOM 531 C LEU A 34 -9.532 21.123 -8.767 1.00 1.00 C ATOM 532 O LEU A 34 -8.809 21.503 -9.680 1.00 1.00 O ATOM 533 CB LEU A 34 -10.793 23.193 -8.200 1.00 1.00 C ATOM 534 CG LEU A 34 -12.095 23.877 -7.789 1.00 1.00 C ATOM 535 CD1 LEU A 34 -11.814 25.226 -7.161 1.00 1.00 C ATOM 536 CD2 LEU A 34 -13.019 24.028 -8.984 1.00 1.00 C ATOM 0 H LEU A 34 -11.079 20.824 -6.691 1.00 1.00 H new ATOM 0 HA LEU A 34 -11.484 21.616 -9.508 1.00 1.00 H new ATOM 0 HB2 LEU A 34 -10.081 23.279 -7.379 1.00 1.00 H new ATOM 0 HB3 LEU A 34 -10.370 23.732 -9.047 1.00 1.00 H new ATOM 0 HG LEU A 34 -12.591 23.250 -7.048 1.00 1.00 H new ATOM 0 HD11 LEU A 34 -12.754 25.697 -6.875 1.00 1.00 H new ATOM 0 HD12 LEU A 34 -11.191 25.093 -6.276 1.00 1.00 H new ATOM 0 HD13 LEU A 34 -11.294 25.860 -7.879 1.00 1.00 H new ATOM 0 HD21 LEU A 34 -13.941 24.517 -8.671 1.00 1.00 H new ATOM 0 HD22 LEU A 34 -12.529 24.631 -9.749 1.00 1.00 H new ATOM 0 HD23 LEU A 34 -13.251 23.044 -9.391 1.00 1.00 H new ATOM 548 N GLY A 35 -9.174 20.176 -7.906 1.00 1.00 N ATOM 549 CA GLY A 35 -7.862 19.546 -7.974 1.00 1.00 C ATOM 550 C GLY A 35 -7.607 18.876 -9.305 1.00 1.00 C ATOM 551 O GLY A 35 -6.461 18.699 -9.714 1.00 1.00 O ATOM 0 H GLY A 35 -9.772 19.829 -7.156 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -7.093 20.297 -7.796 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -7.776 18.807 -7.177 1.00 1.00 H new ATOM 555 N ASP A 36 -8.681 18.496 -9.973 1.00 1.00 N ATOM 556 CA ASP A 36 -8.589 17.879 -11.286 1.00 1.00 C ATOM 557 C ASP A 36 -8.508 18.956 -12.360 1.00 1.00 C ATOM 558 O ASP A 36 -7.907 18.762 -13.414 1.00 1.00 O ATOM 559 CB ASP A 36 -9.812 17.002 -11.547 1.00 1.00 C ATOM 560 CG ASP A 36 -9.982 15.899 -10.522 1.00 1.00 C ATOM 561 OD1 ASP A 36 -9.099 15.021 -10.421 1.00 1.00 O ATOM 562 OD2 ASP A 36 -11.006 15.914 -9.805 1.00 1.00 O ATOM 0 H ASP A 36 -9.634 18.604 -9.626 1.00 1.00 H new ATOM 0 HA ASP A 36 -7.691 17.262 -11.316 1.00 1.00 H new ATOM 0 HB2 ASP A 36 -10.705 17.627 -11.551 1.00 1.00 H new ATOM 0 HB3 ASP A 36 -9.728 16.558 -12.539 1.00 1.00 H new ATOM 567 N ALA A 37 -9.109 20.101 -12.056 1.00 1.00 N ATOM 568 CA ALA A 37 -9.180 21.226 -12.985 1.00 1.00 C ATOM 569 C ALA A 37 -7.879 22.026 -13.016 1.00 1.00 C ATOM 570 O ALA A 37 -7.630 22.800 -13.940 1.00 1.00 O ATOM 571 CB ALA A 37 -10.350 22.123 -12.613 1.00 1.00 C ATOM 0 H ALA A 37 -9.561 20.277 -11.159 1.00 1.00 H new ATOM 0 HA ALA A 37 -9.332 20.826 -13.987 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -10.401 22.962 -13.308 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -11.277 21.552 -12.665 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -10.212 22.499 -11.599 1.00 1.00 H new ATOM 577 N VAL A 38 -7.061 21.862 -11.993 1.00 1.00 N ATOM 578 CA VAL A 38 -5.787 22.555 -11.921 1.00 1.00 C ATOM 579 C VAL A 38 -4.747 21.669 -11.261 1.00 1.00 C ATOM 580 O VAL A 38 -4.942 21.173 -10.153 1.00 1.00 O ATOM 581 CB VAL A 38 -5.908 23.910 -11.172 1.00 1.00 C ATOM 582 CG1 VAL A 38 -6.852 23.790 -9.986 1.00 1.00 C ATOM 583 CG2 VAL A 38 -4.543 24.414 -10.711 1.00 1.00 C ATOM 0 H VAL A 38 -7.256 21.253 -11.198 1.00 1.00 H new ATOM 0 HA VAL A 38 -5.470 22.777 -12.940 1.00 1.00 H new ATOM 0 HB VAL A 38 -6.319 24.636 -11.873 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -6.921 24.751 -9.477 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -7.841 23.493 -10.336 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -6.472 23.039 -9.293 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -4.663 25.364 -10.190 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -4.095 23.685 -10.036 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -3.895 24.554 -11.577 1.00 1.00 H new ATOM 593 N ARG A 39 -3.659 21.429 -11.974 1.00 1.00 N ATOM 594 CA ARG A 39 -2.606 20.570 -11.475 1.00 1.00 C ATOM 595 C ARG A 39 -1.599 21.386 -10.683 1.00 1.00 C ATOM 596 O ARG A 39 -1.292 22.524 -11.042 1.00 1.00 O ATOM 597 CB ARG A 39 -1.918 19.857 -12.635 1.00 1.00 C ATOM 598 CG ARG A 39 -2.897 19.185 -13.583 1.00 1.00 C ATOM 599 CD ARG A 39 -3.775 18.178 -12.864 1.00 1.00 C ATOM 600 NE ARG A 39 -4.501 17.320 -13.799 1.00 1.00 N ATOM 601 CZ ARG A 39 -4.523 15.991 -13.738 1.00 1.00 C ATOM 602 NH1 ARG A 39 -3.901 15.357 -12.751 1.00 1.00 N ATOM 603 NH2 ARG A 39 -5.166 15.292 -14.664 1.00 1.00 N ATOM 0 H ARG A 39 -3.485 21.819 -12.900 1.00 1.00 H new ATOM 0 HA ARG A 39 -3.043 19.820 -10.815 1.00 1.00 H new ATOM 0 HB2 ARG A 39 -1.317 20.576 -13.192 1.00 1.00 H new ATOM 0 HB3 ARG A 39 -1.232 19.108 -12.239 1.00 1.00 H new ATOM 0 HG2 ARG A 39 -3.523 19.942 -14.055 1.00 1.00 H new ATOM 0 HG3 ARG A 39 -2.347 18.684 -14.379 1.00 1.00 H new ATOM 0 HD2 ARG A 39 -3.159 17.562 -12.210 1.00 1.00 H new ATOM 0 HD3 ARG A 39 -4.486 18.705 -12.228 1.00 1.00 H new ATOM 0 HE ARG A 39 -5.026 17.771 -14.549 1.00 1.00 H new ATOM 0 HH11 ARG A 39 -3.404 15.889 -12.036 1.00 1.00 H new ATOM 0 HH12 ARG A 39 -3.920 14.338 -12.707 1.00 1.00 H new ATOM 0 HH21 ARG A 39 -5.645 15.773 -15.425 1.00 1.00 H new ATOM 0 HH22 ARG A 39 -5.181 14.273 -14.615 1.00 1.00 H new ATOM 617 N VAL A 40 -1.046 20.784 -9.645 1.00 1.00 N ATOM 618 CA VAL A 40 -0.092 21.465 -8.791 1.00 1.00 C ATOM 619 C VAL A 40 1.125 20.573 -8.558 1.00 1.00 C ATOM 620 O VAL A 40 1.009 19.435 -8.110 1.00 1.00 O ATOM 621 CB VAL A 40 -0.743 21.892 -7.457 1.00 1.00 C ATOM 622 CG1 VAL A 40 0.288 22.444 -6.489 1.00 1.00 C ATOM 623 CG2 VAL A 40 -1.841 22.914 -7.718 1.00 1.00 C ATOM 0 H VAL A 40 -1.243 19.821 -9.373 1.00 1.00 H new ATOM 0 HA VAL A 40 0.238 22.375 -9.291 1.00 1.00 H new ATOM 0 HB VAL A 40 -1.185 21.009 -6.994 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -0.204 22.735 -5.561 1.00 1.00 H new ATOM 0 HG12 VAL A 40 1.036 21.680 -6.279 1.00 1.00 H new ATOM 0 HG13 VAL A 40 0.773 23.314 -6.931 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -2.295 23.210 -6.772 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -1.414 23.790 -8.205 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -2.601 22.474 -8.364 1.00 1.00 H new ATOM 633 N THR A 41 2.262 21.082 -8.993 1.00 1.00 N ATOM 634 CA THR A 41 3.515 20.354 -8.955 1.00 1.00 C ATOM 635 C THR A 41 4.637 21.211 -8.388 1.00 1.00 C ATOM 636 O THR A 41 4.427 22.372 -8.036 1.00 1.00 O ATOM 637 CB THR A 41 3.894 19.896 -10.379 1.00 1.00 C ATOM 638 OG1 THR A 41 3.872 21.020 -11.269 1.00 1.00 O ATOM 639 CG2 THR A 41 2.921 18.847 -10.886 1.00 1.00 C ATOM 0 H THR A 41 2.342 22.020 -9.386 1.00 1.00 H new ATOM 0 HA THR A 41 3.381 19.489 -8.306 1.00 1.00 H new ATOM 0 HB THR A 41 4.894 19.464 -10.344 1.00 1.00 H new ATOM 0 HG1 THR A 41 4.114 20.727 -12.172 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.209 18.540 -11.891 1.00 1.00 H new ATOM 0 HG22 THR A 41 2.940 17.982 -10.223 1.00 1.00 H new ATOM 0 HG23 THR A 41 1.915 19.265 -10.908 1.00 1.00 H new ATOM 647 N SER A 42 5.846 20.680 -8.416 1.00 1.00 N ATOM 648 CA SER A 42 6.986 21.382 -7.868 1.00 1.00 C ATOM 649 C SER A 42 8.282 20.830 -8.448 1.00 1.00 C ATOM 650 O SER A 42 8.299 19.731 -9.018 1.00 1.00 O ATOM 651 CB SER A 42 6.974 21.236 -6.350 1.00 1.00 C ATOM 652 OG SER A 42 6.971 19.870 -5.978 1.00 1.00 O ATOM 0 H SER A 42 6.061 19.765 -8.813 1.00 1.00 H new ATOM 0 HA SER A 42 6.925 22.438 -8.132 1.00 1.00 H new ATOM 0 HB2 SER A 42 7.847 21.732 -5.925 1.00 1.00 H new ATOM 0 HB3 SER A 42 6.095 21.732 -5.939 1.00 1.00 H new ATOM 0 HG SER A 42 6.239 19.704 -5.347 1.00 1.00 H new ATOM 658 N ALA A 43 9.355 21.608 -8.342 1.00 1.00 N ATOM 659 CA ALA A 43 10.647 21.216 -8.878 1.00 1.00 C ATOM 660 C ALA A 43 11.779 22.038 -8.273 1.00 1.00 C ATOM 661 O ALA A 43 11.554 23.083 -7.658 1.00 1.00 O ATOM 662 CB ALA A 43 10.651 21.380 -10.383 1.00 1.00 C ATOM 0 H ALA A 43 9.351 22.520 -7.885 1.00 1.00 H new ATOM 0 HA ALA A 43 10.811 20.170 -8.618 1.00 1.00 H new ATOM 0 HB1 ALA A 43 11.623 21.084 -10.779 1.00 1.00 H new ATOM 0 HB2 ALA A 43 9.875 20.751 -10.820 1.00 1.00 H new ATOM 0 HB3 ALA A 43 10.458 22.423 -10.636 1.00 1.00 H new ATOM 668 N GLY A 44 12.990 21.534 -8.427 1.00 1.00 N ATOM 669 CA GLY A 44 14.159 22.218 -7.928 1.00 1.00 C ATOM 670 C GLY A 44 15.153 22.461 -9.036 1.00 1.00 C ATOM 671 O GLY A 44 15.462 21.546 -9.802 1.00 1.00 O ATOM 0 H GLY A 44 13.185 20.650 -8.896 1.00 1.00 H new ATOM 0 HA2 GLY A 44 13.866 23.168 -7.481 1.00 1.00 H new ATOM 0 HA3 GLY A 44 14.624 21.625 -7.140 1.00 1.00 H new ATOM 675 N THR A 45 15.650 23.685 -9.134 1.00 1.00 N ATOM 676 CA THR A 45 16.572 24.061 -10.197 1.00 1.00 C ATOM 677 C THR A 45 17.924 23.359 -10.059 1.00 1.00 C ATOM 678 O THR A 45 18.601 23.103 -11.051 1.00 1.00 O ATOM 679 CB THR A 45 16.788 25.587 -10.204 1.00 1.00 C ATOM 680 OG1 THR A 45 17.052 26.044 -8.866 1.00 1.00 O ATOM 681 CG2 THR A 45 15.565 26.311 -10.751 1.00 1.00 C ATOM 0 H THR A 45 15.428 24.440 -8.485 1.00 1.00 H new ATOM 0 HA THR A 45 16.121 23.746 -11.138 1.00 1.00 H new ATOM 0 HB THR A 45 17.639 25.808 -10.849 1.00 1.00 H new ATOM 0 HG1 THR A 45 17.754 26.728 -8.886 1.00 1.00 H new ATOM 0 HG21 THR A 45 15.745 27.386 -10.744 1.00 1.00 H new ATOM 0 HG22 THR A 45 15.374 25.981 -11.772 1.00 1.00 H new ATOM 0 HG23 THR A 45 14.699 26.084 -10.128 1.00 1.00 H new ATOM 689 N GLY A 46 18.284 23.002 -8.827 1.00 1.00 N ATOM 690 CA GLY A 46 19.572 22.375 -8.582 1.00 1.00 C ATOM 691 C GLY A 46 19.458 20.897 -8.266 1.00 1.00 C ATOM 692 O GLY A 46 20.435 20.281 -7.844 1.00 1.00 O ATOM 0 H GLY A 46 17.707 23.136 -7.996 1.00 1.00 H new ATOM 0 HA2 GLY A 46 20.207 22.506 -9.458 1.00 1.00 H new ATOM 0 HA3 GLY A 46 20.065 22.882 -7.752 1.00 1.00 H new ATOM 696 N ASN A 47 18.247 20.349 -8.441 1.00 1.00 N ATOM 697 CA ASN A 47 17.946 18.922 -8.197 1.00 1.00 C ATOM 698 C ASN A 47 18.619 18.367 -6.933 1.00 1.00 C ATOM 699 O ASN A 47 19.078 17.225 -6.916 1.00 1.00 O ATOM 700 CB ASN A 47 18.303 18.057 -9.426 1.00 1.00 C ATOM 701 CG ASN A 47 19.782 18.048 -9.792 1.00 1.00 C ATOM 702 OD1 ASN A 47 20.249 18.889 -10.560 1.00 1.00 O ATOM 703 ND2 ASN A 47 20.522 17.083 -9.269 1.00 1.00 N ATOM 0 H ASN A 47 17.439 20.884 -8.758 1.00 1.00 H new ATOM 0 HA ASN A 47 16.871 18.868 -8.027 1.00 1.00 H new ATOM 0 HB2 ASN A 47 17.984 17.032 -9.237 1.00 1.00 H new ATOM 0 HB3 ASN A 47 17.733 18.415 -10.283 1.00 1.00 H new ATOM 0 HD21 ASN A 47 21.514 17.019 -9.499 1.00 1.00 H new ATOM 0 HD22 ASN A 47 20.101 16.403 -8.636 1.00 1.00 H new ATOM 710 N TRP A 48 18.602 19.161 -5.861 1.00 1.00 N ATOM 711 CA TRP A 48 19.183 18.766 -4.576 1.00 1.00 C ATOM 712 C TRP A 48 18.697 17.390 -4.127 1.00 1.00 C ATOM 713 O TRP A 48 19.405 16.394 -4.252 1.00 1.00 O ATOM 714 CB TRP A 48 18.830 19.804 -3.507 1.00 1.00 C ATOM 715 CG TRP A 48 19.999 20.616 -3.037 1.00 1.00 C ATOM 716 CD1 TRP A 48 20.642 20.495 -1.842 1.00 1.00 C ATOM 717 CD2 TRP A 48 20.661 21.670 -3.746 1.00 1.00 C ATOM 718 NE1 TRP A 48 21.664 21.407 -1.759 1.00 1.00 N ATOM 719 CE2 TRP A 48 21.696 22.143 -2.915 1.00 1.00 C ATOM 720 CE3 TRP A 48 20.481 22.262 -4.999 1.00 1.00 C ATOM 721 CZ2 TRP A 48 22.548 23.175 -3.302 1.00 1.00 C ATOM 722 CZ3 TRP A 48 21.325 23.287 -5.381 1.00 1.00 C ATOM 723 CH2 TRP A 48 22.345 23.737 -4.534 1.00 1.00 C ATOM 0 H TRP A 48 18.187 20.093 -5.858 1.00 1.00 H new ATOM 0 HA TRP A 48 20.264 18.713 -4.707 1.00 1.00 H new ATOM 0 HB2 TRP A 48 18.070 20.476 -3.905 1.00 1.00 H new ATOM 0 HB3 TRP A 48 18.388 19.294 -2.651 1.00 1.00 H new ATOM 0 HD1 TRP A 48 20.384 19.784 -1.071 1.00 1.00 H new ATOM 0 HE1 TRP A 48 22.296 21.519 -0.967 1.00 1.00 H new ATOM 0 HE3 TRP A 48 19.695 21.924 -5.658 1.00 1.00 H new ATOM 0 HZ2 TRP A 48 23.340 23.519 -2.654 1.00 1.00 H new ATOM 0 HZ3 TRP A 48 21.196 23.749 -6.349 1.00 1.00 H new ATOM 0 HH2 TRP A 48 22.985 24.544 -4.859 1.00 1.00 H new ATOM 734 N HIS A 49 17.484 17.347 -3.614 1.00 1.00 N ATOM 735 CA HIS A 49 16.912 16.100 -3.132 1.00 1.00 C ATOM 736 C HIS A 49 15.929 15.531 -4.137 1.00 1.00 C ATOM 737 O HIS A 49 14.871 15.034 -3.763 1.00 1.00 O ATOM 738 CB HIS A 49 16.227 16.297 -1.777 1.00 1.00 C ATOM 739 CG HIS A 49 17.176 16.472 -0.625 1.00 1.00 C ATOM 740 ND1 HIS A 49 17.155 15.666 0.493 1.00 1.00 N ATOM 741 CD2 HIS A 49 18.159 17.379 -0.411 1.00 1.00 C ATOM 742 CE1 HIS A 49 18.080 16.072 1.341 1.00 1.00 C ATOM 743 NE2 HIS A 49 18.706 17.108 0.818 1.00 1.00 N ATOM 0 H HIS A 49 16.874 18.159 -3.519 1.00 1.00 H new ATOM 0 HA HIS A 49 17.729 15.389 -3.005 1.00 1.00 H new ATOM 0 HB2 HIS A 49 15.578 17.171 -1.834 1.00 1.00 H new ATOM 0 HB3 HIS A 49 15.587 15.438 -1.578 1.00 1.00 H new ATOM 0 HD2 HIS A 49 18.457 18.170 -1.084 1.00 1.00 H new ATOM 0 HE1 HIS A 49 18.290 15.630 2.304 1.00 1.00 H new ATOM 0 HE2 HIS A 49 19.471 17.623 1.255 1.00 1.00 H new ATOM 752 N VAL A 50 16.279 15.604 -5.415 1.00 1.00 N ATOM 753 CA VAL A 50 15.426 15.057 -6.458 1.00 1.00 C ATOM 754 C VAL A 50 15.258 13.551 -6.263 1.00 1.00 C ATOM 755 O VAL A 50 16.230 12.823 -6.062 1.00 1.00 O ATOM 756 CB VAL A 50 15.970 15.359 -7.879 1.00 1.00 C ATOM 757 CG1 VAL A 50 17.332 14.722 -8.098 1.00 1.00 C ATOM 758 CG2 VAL A 50 14.988 14.899 -8.944 1.00 1.00 C ATOM 0 H VAL A 50 17.141 16.033 -5.751 1.00 1.00 H new ATOM 0 HA VAL A 50 14.455 15.544 -6.374 1.00 1.00 H new ATOM 0 HB VAL A 50 16.088 16.439 -7.963 1.00 1.00 H new ATOM 0 HG11 VAL A 50 17.684 14.953 -9.103 1.00 1.00 H new ATOM 0 HG12 VAL A 50 18.039 15.114 -7.367 1.00 1.00 H new ATOM 0 HG13 VAL A 50 17.251 13.641 -7.981 1.00 1.00 H new ATOM 0 HG21 VAL A 50 15.392 15.122 -9.932 1.00 1.00 H new ATOM 0 HG22 VAL A 50 14.827 13.825 -8.851 1.00 1.00 H new ATOM 0 HG23 VAL A 50 14.040 15.420 -8.814 1.00 1.00 H new ATOM 768 N GLY A 51 14.010 13.112 -6.236 1.00 1.00 N ATOM 769 CA GLY A 51 13.715 11.712 -6.012 1.00 1.00 C ATOM 770 C GLY A 51 13.380 11.425 -4.564 1.00 1.00 C ATOM 771 O GLY A 51 12.820 10.378 -4.236 1.00 1.00 O ATOM 0 H GLY A 51 13.190 13.705 -6.366 1.00 1.00 H new ATOM 0 HA2 GLY A 51 12.878 11.413 -6.643 1.00 1.00 H new ATOM 0 HA3 GLY A 51 14.572 11.109 -6.312 1.00 1.00 H new ATOM 775 N SER A 52 13.711 12.375 -3.704 1.00 1.00 N ATOM 776 CA SER A 52 13.451 12.253 -2.280 1.00 1.00 C ATOM 777 C SER A 52 11.991 12.595 -1.986 1.00 1.00 C ATOM 778 O SER A 52 11.150 12.660 -2.891 1.00 1.00 O ATOM 779 CB SER A 52 14.377 13.178 -1.493 1.00 1.00 C ATOM 780 OG SER A 52 14.551 12.732 -0.158 1.00 1.00 O ATOM 0 H SER A 52 14.165 13.248 -3.972 1.00 1.00 H new ATOM 0 HA SER A 52 13.643 11.225 -1.973 1.00 1.00 H new ATOM 0 HB2 SER A 52 15.346 13.231 -1.989 1.00 1.00 H new ATOM 0 HB3 SER A 52 13.966 14.187 -1.489 1.00 1.00 H new ATOM 0 HG SER A 52 15.150 13.345 0.316 1.00 1.00 H new ATOM 786 N CYS A 53 11.732 12.941 -0.741 1.00 1.00 N ATOM 787 CA CYS A 53 10.397 13.266 -0.290 1.00 1.00 C ATOM 788 C CYS A 53 10.447 14.555 0.520 1.00 1.00 C ATOM 789 O CYS A 53 11.526 15.103 0.742 1.00 1.00 O ATOM 790 CB CYS A 53 9.863 12.114 0.559 1.00 1.00 C ATOM 791 SG CYS A 53 8.102 12.226 0.980 1.00 1.00 S ATOM 0 H CYS A 53 12.444 13.004 -0.013 1.00 1.00 H new ATOM 0 HA CYS A 53 9.732 13.412 -1.141 1.00 1.00 H new ATOM 0 HB2 CYS A 53 10.035 11.179 0.026 1.00 1.00 H new ATOM 0 HB3 CYS A 53 10.440 12.065 1.483 1.00 1.00 H new ATOM 0 HG CYS A 53 7.461 12.809 0.011 1.00 1.00 H new ATOM 797 N ALA A 54 9.283 15.071 0.890 1.00 1.00 N ATOM 798 CA ALA A 54 9.202 16.306 1.664 1.00 1.00 C ATOM 799 C ALA A 54 10.048 16.222 2.933 1.00 1.00 C ATOM 800 O ALA A 54 10.102 15.180 3.593 1.00 1.00 O ATOM 801 CB ALA A 54 7.754 16.613 1.997 1.00 1.00 C ATOM 0 H ALA A 54 8.379 14.654 0.667 1.00 1.00 H new ATOM 0 HA ALA A 54 9.603 17.119 1.059 1.00 1.00 H new ATOM 0 HB1 ALA A 54 7.701 17.536 2.575 1.00 1.00 H new ATOM 0 HB2 ALA A 54 7.185 16.729 1.074 1.00 1.00 H new ATOM 0 HB3 ALA A 54 7.334 15.795 2.582 1.00 1.00 H new ATOM 807 N ASP A 55 10.717 17.325 3.246 1.00 1.00 N ATOM 808 CA ASP A 55 11.604 17.402 4.401 1.00 1.00 C ATOM 809 C ASP A 55 10.827 17.148 5.683 1.00 1.00 C ATOM 810 O ASP A 55 9.700 17.626 5.846 1.00 1.00 O ATOM 811 CB ASP A 55 12.278 18.779 4.470 1.00 1.00 C ATOM 812 CG ASP A 55 13.376 18.858 5.520 1.00 1.00 C ATOM 813 OD1 ASP A 55 13.055 18.872 6.726 1.00 1.00 O ATOM 814 OD2 ASP A 55 14.563 18.933 5.143 1.00 1.00 O ATOM 0 H ASP A 55 10.660 18.190 2.708 1.00 1.00 H new ATOM 0 HA ASP A 55 12.372 16.637 4.292 1.00 1.00 H new ATOM 0 HB2 ASP A 55 12.700 19.019 3.494 1.00 1.00 H new ATOM 0 HB3 ASP A 55 11.523 19.535 4.686 1.00 1.00 H new ATOM 819 N GLU A 56 11.443 16.394 6.581 1.00 1.00 N ATOM 820 CA GLU A 56 10.847 16.037 7.863 1.00 1.00 C ATOM 821 C GLU A 56 10.253 17.239 8.597 1.00 1.00 C ATOM 822 O GLU A 56 9.220 17.112 9.259 1.00 1.00 O ATOM 823 CB GLU A 56 11.892 15.368 8.758 1.00 1.00 C ATOM 824 CG GLU A 56 13.108 16.244 9.030 1.00 1.00 C ATOM 825 CD GLU A 56 13.969 15.702 10.151 1.00 1.00 C ATOM 826 OE1 GLU A 56 13.720 16.060 11.321 1.00 1.00 O ATOM 827 OE2 GLU A 56 14.893 14.912 9.872 1.00 1.00 O ATOM 0 H GLU A 56 12.377 16.009 6.441 1.00 1.00 H new ATOM 0 HA GLU A 56 10.031 15.348 7.647 1.00 1.00 H new ATOM 0 HB2 GLU A 56 11.428 15.099 9.707 1.00 1.00 H new ATOM 0 HB3 GLU A 56 12.220 14.440 8.289 1.00 1.00 H new ATOM 0 HG2 GLU A 56 13.706 16.324 8.122 1.00 1.00 H new ATOM 0 HG3 GLU A 56 12.778 17.251 9.283 1.00 1.00 H new ATOM 834 N ARG A 57 10.865 18.410 8.455 1.00 1.00 N ATOM 835 CA ARG A 57 10.406 19.586 9.166 1.00 1.00 C ATOM 836 C ARG A 57 9.078 20.073 8.596 1.00 1.00 C ATOM 837 O ARG A 57 8.123 20.298 9.337 1.00 1.00 O ATOM 838 CB ARG A 57 11.469 20.683 9.080 1.00 1.00 C ATOM 839 CG ARG A 57 11.679 21.228 7.675 1.00 1.00 C ATOM 840 CD ARG A 57 12.835 22.206 7.608 1.00 1.00 C ATOM 841 NE ARG A 57 14.122 21.517 7.593 1.00 1.00 N ATOM 842 CZ ARG A 57 15.282 22.099 7.889 1.00 1.00 C ATOM 843 NH1 ARG A 57 15.323 23.381 8.252 1.00 1.00 N ATOM 844 NH2 ARG A 57 16.409 21.397 7.815 1.00 1.00 N ATOM 0 H ARG A 57 11.676 18.564 7.856 1.00 1.00 H new ATOM 0 HA ARG A 57 10.246 19.330 10.213 1.00 1.00 H new ATOM 0 HB2 ARG A 57 11.185 21.503 9.739 1.00 1.00 H new ATOM 0 HB3 ARG A 57 12.415 20.289 9.452 1.00 1.00 H new ATOM 0 HG2 ARG A 57 11.865 20.401 6.990 1.00 1.00 H new ATOM 0 HG3 ARG A 57 10.767 21.722 7.338 1.00 1.00 H new ATOM 0 HD2 ARG A 57 12.741 22.821 6.713 1.00 1.00 H new ATOM 0 HD3 ARG A 57 12.792 22.880 8.464 1.00 1.00 H new ATOM 0 HE ARG A 57 14.133 20.529 7.340 1.00 1.00 H new ATOM 0 HH11 ARG A 57 14.461 23.924 8.305 1.00 1.00 H new ATOM 0 HH12 ARG A 57 16.216 23.819 8.477 1.00 1.00 H new ATOM 0 HH21 ARG A 57 16.382 20.417 7.532 1.00 1.00 H new ATOM 0 HH22 ARG A 57 17.300 21.838 8.041 1.00 1.00 H new ATOM 858 N ALA A 58 9.001 20.142 7.272 1.00 1.00 N ATOM 859 CA ALA A 58 7.795 20.600 6.596 1.00 1.00 C ATOM 860 C ALA A 58 6.711 19.553 6.720 1.00 1.00 C ATOM 861 O ALA A 58 5.527 19.876 6.797 1.00 1.00 O ATOM 862 CB ALA A 58 8.084 20.903 5.136 1.00 1.00 C ATOM 0 H ALA A 58 9.763 19.885 6.644 1.00 1.00 H new ATOM 0 HA ALA A 58 7.451 21.520 7.069 1.00 1.00 H new ATOM 0 HB1 ALA A 58 7.171 21.244 4.648 1.00 1.00 H new ATOM 0 HB2 ALA A 58 8.844 21.682 5.069 1.00 1.00 H new ATOM 0 HB3 ALA A 58 8.445 20.001 4.642 1.00 1.00 H new ATOM 868 N ALA A 59 7.126 18.292 6.742 1.00 1.00 N ATOM 869 CA ALA A 59 6.204 17.195 6.939 1.00 1.00 C ATOM 870 C ALA A 59 5.530 17.346 8.292 1.00 1.00 C ATOM 871 O ALA A 59 4.307 17.290 8.392 1.00 1.00 O ATOM 872 CB ALA A 59 6.923 15.861 6.838 1.00 1.00 C ATOM 0 H ALA A 59 8.099 18.010 6.625 1.00 1.00 H new ATOM 0 HA ALA A 59 5.445 17.218 6.157 1.00 1.00 H new ATOM 0 HB1 ALA A 59 6.210 15.051 6.990 1.00 1.00 H new ATOM 0 HB2 ALA A 59 7.376 15.766 5.851 1.00 1.00 H new ATOM 0 HB3 ALA A 59 7.700 15.808 7.601 1.00 1.00 H new ATOM 878 N GLY A 60 6.332 17.620 9.319 1.00 1.00 N ATOM 879 CA GLY A 60 5.793 17.829 10.645 1.00 1.00 C ATOM 880 C GLY A 60 4.847 19.007 10.681 1.00 1.00 C ATOM 881 O GLY A 60 3.807 18.953 11.332 1.00 1.00 O ATOM 0 H GLY A 60 7.347 17.700 9.252 1.00 1.00 H new ATOM 0 HA2 GLY A 60 5.269 16.931 10.971 1.00 1.00 H new ATOM 0 HA3 GLY A 60 6.609 17.995 11.348 1.00 1.00 H new ATOM 885 N VAL A 61 5.211 20.060 9.961 1.00 1.00 N ATOM 886 CA VAL A 61 4.378 21.250 9.854 1.00 1.00 C ATOM 887 C VAL A 61 3.018 20.920 9.236 1.00 1.00 C ATOM 888 O VAL A 61 1.981 21.066 9.881 1.00 1.00 O ATOM 889 CB VAL A 61 5.070 22.335 8.997 1.00 1.00 C ATOM 890 CG1 VAL A 61 4.175 23.533 8.789 1.00 1.00 C ATOM 891 CG2 VAL A 61 6.374 22.772 9.620 1.00 1.00 C ATOM 0 H VAL A 61 6.085 20.114 9.438 1.00 1.00 H new ATOM 0 HA VAL A 61 4.229 21.628 10.865 1.00 1.00 H new ATOM 0 HB VAL A 61 5.277 21.888 8.025 1.00 1.00 H new ATOM 0 HG11 VAL A 61 4.695 24.275 8.182 1.00 1.00 H new ATOM 0 HG12 VAL A 61 3.263 23.222 8.279 1.00 1.00 H new ATOM 0 HG13 VAL A 61 3.920 23.969 9.755 1.00 1.00 H new ATOM 0 HG21 VAL A 61 6.838 23.535 8.995 1.00 1.00 H new ATOM 0 HG22 VAL A 61 6.184 23.181 10.612 1.00 1.00 H new ATOM 0 HG23 VAL A 61 7.043 21.915 9.703 1.00 1.00 H new ATOM 901 N LEU A 62 3.039 20.411 8.010 1.00 1.00 N ATOM 902 CA LEU A 62 1.820 20.117 7.270 1.00 1.00 C ATOM 903 C LEU A 62 0.930 19.134 8.025 1.00 1.00 C ATOM 904 O LEU A 62 -0.233 19.430 8.294 1.00 1.00 O ATOM 905 CB LEU A 62 2.175 19.564 5.889 1.00 1.00 C ATOM 906 CG LEU A 62 3.034 20.487 5.024 1.00 1.00 C ATOM 907 CD1 LEU A 62 3.421 19.793 3.730 1.00 1.00 C ATOM 908 CD2 LEU A 62 2.297 21.786 4.741 1.00 1.00 C ATOM 0 H LEU A 62 3.897 20.192 7.504 1.00 1.00 H new ATOM 0 HA LEU A 62 1.259 21.044 7.155 1.00 1.00 H new ATOM 0 HB2 LEU A 62 2.701 18.618 6.017 1.00 1.00 H new ATOM 0 HB3 LEU A 62 1.251 19.345 5.354 1.00 1.00 H new ATOM 0 HG LEU A 62 3.947 20.725 5.569 1.00 1.00 H new ATOM 0 HD11 LEU A 62 4.032 20.464 3.126 1.00 1.00 H new ATOM 0 HD12 LEU A 62 3.989 18.890 3.957 1.00 1.00 H new ATOM 0 HD13 LEU A 62 2.520 19.526 3.177 1.00 1.00 H new ATOM 0 HD21 LEU A 62 2.922 22.432 4.124 1.00 1.00 H new ATOM 0 HD22 LEU A 62 1.368 21.570 4.214 1.00 1.00 H new ATOM 0 HD23 LEU A 62 2.072 22.289 5.681 1.00 1.00 H new ATOM 920 N ARG A 63 1.509 18.014 8.438 1.00 1.00 N ATOM 921 CA ARG A 63 0.768 16.977 9.159 1.00 1.00 C ATOM 922 C ARG A 63 0.162 17.528 10.453 1.00 1.00 C ATOM 923 O ARG A 63 -0.904 17.089 10.876 1.00 1.00 O ATOM 924 CB ARG A 63 1.677 15.783 9.472 1.00 1.00 C ATOM 925 CG ARG A 63 2.651 16.044 10.607 1.00 1.00 C ATOM 926 CD ARG A 63 3.745 14.993 10.683 1.00 1.00 C ATOM 927 NE ARG A 63 3.250 13.665 11.041 1.00 1.00 N ATOM 928 CZ ARG A 63 3.311 13.160 12.272 1.00 1.00 C ATOM 929 NH1 ARG A 63 3.657 13.933 13.297 1.00 1.00 N ATOM 930 NH2 ARG A 63 2.988 11.894 12.483 1.00 1.00 N ATOM 0 H ARG A 63 2.494 17.796 8.287 1.00 1.00 H new ATOM 0 HA ARG A 63 -0.045 16.643 8.515 1.00 1.00 H new ATOM 0 HB2 ARG A 63 1.058 14.922 9.726 1.00 1.00 H new ATOM 0 HB3 ARG A 63 2.238 15.519 8.576 1.00 1.00 H new ATOM 0 HG2 ARG A 63 3.103 17.027 10.475 1.00 1.00 H new ATOM 0 HG3 ARG A 63 2.107 16.067 11.551 1.00 1.00 H new ATOM 0 HD2 ARG A 63 4.252 14.936 9.720 1.00 1.00 H new ATOM 0 HD3 ARG A 63 4.488 15.305 11.416 1.00 1.00 H new ATOM 0 HE ARG A 63 2.834 13.092 10.306 1.00 1.00 H new ATOM 0 HH11 ARG A 63 3.877 14.917 13.142 1.00 1.00 H new ATOM 0 HH12 ARG A 63 3.702 13.542 14.238 1.00 1.00 H new ATOM 0 HH21 ARG A 63 2.693 11.306 11.703 1.00 1.00 H new ATOM 0 HH22 ARG A 63 3.034 11.506 13.425 1.00 1.00 H new ATOM 944 N ALA A 64 0.813 18.534 11.038 1.00 1.00 N ATOM 945 CA ALA A 64 0.339 19.131 12.285 1.00 1.00 C ATOM 946 C ALA A 64 -0.874 20.010 12.038 1.00 1.00 C ATOM 947 O ALA A 64 -1.743 20.159 12.898 1.00 1.00 O ATOM 948 CB ALA A 64 1.439 19.949 12.947 1.00 1.00 C ATOM 0 H ALA A 64 1.668 18.951 10.669 1.00 1.00 H new ATOM 0 HA ALA A 64 0.054 18.318 12.953 1.00 1.00 H new ATOM 0 HB1 ALA A 64 1.062 20.383 13.873 1.00 1.00 H new ATOM 0 HB2 ALA A 64 2.289 19.304 13.168 1.00 1.00 H new ATOM 0 HB3 ALA A 64 1.754 20.747 12.274 1.00 1.00 H new ATOM 954 N HIS A 65 -0.928 20.600 10.854 1.00 1.00 N ATOM 955 CA HIS A 65 -2.041 21.467 10.495 1.00 1.00 C ATOM 956 C HIS A 65 -3.108 20.685 9.720 1.00 1.00 C ATOM 957 O HIS A 65 -4.091 21.251 9.244 1.00 1.00 O ATOM 958 CB HIS A 65 -1.540 22.682 9.700 1.00 1.00 C ATOM 959 CG HIS A 65 -0.569 23.540 10.464 1.00 1.00 C ATOM 960 ND1 HIS A 65 -0.954 24.412 11.457 1.00 1.00 N ATOM 961 CD2 HIS A 65 0.780 23.637 10.390 1.00 1.00 C ATOM 962 CE1 HIS A 65 0.115 25.008 11.958 1.00 1.00 C ATOM 963 NE2 HIS A 65 1.180 24.557 11.327 1.00 1.00 N ATOM 0 H HIS A 65 -0.219 20.496 10.128 1.00 1.00 H new ATOM 0 HA HIS A 65 -2.506 21.837 11.409 1.00 1.00 H new ATOM 0 HB2 HIS A 65 -1.063 22.335 8.784 1.00 1.00 H new ATOM 0 HB3 HIS A 65 -2.395 23.290 9.404 1.00 1.00 H new ATOM 0 HD2 HIS A 65 1.424 23.090 9.717 1.00 1.00 H new ATOM 0 HE1 HIS A 65 0.115 25.741 12.751 1.00 1.00 H new ATOM 0 HE2 HIS A 65 2.142 24.844 11.505 1.00 1.00 H new ATOM 972 N GLY A 66 -2.884 19.380 9.587 1.00 1.00 N ATOM 973 CA GLY A 66 -3.859 18.503 8.951 1.00 1.00 C ATOM 974 C GLY A 66 -3.630 18.331 7.462 1.00 1.00 C ATOM 975 O GLY A 66 -4.464 17.761 6.760 1.00 1.00 O ATOM 0 H GLY A 66 -2.039 18.909 9.910 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -3.826 17.525 9.432 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -4.859 18.905 9.114 1.00 1.00 H new ATOM 979 N TYR A 67 -2.493 18.798 6.992 1.00 1.00 N ATOM 980 CA TYR A 67 -2.162 18.714 5.580 1.00 1.00 C ATOM 981 C TYR A 67 -1.380 17.441 5.262 1.00 1.00 C ATOM 982 O TYR A 67 -0.706 16.886 6.130 1.00 1.00 O ATOM 983 CB TYR A 67 -1.351 19.937 5.151 1.00 1.00 C ATOM 984 CG TYR A 67 -2.166 21.204 5.050 1.00 1.00 C ATOM 985 CD1 TYR A 67 -2.976 21.445 3.946 1.00 1.00 C ATOM 986 CD2 TYR A 67 -2.128 22.158 6.057 1.00 1.00 C ATOM 987 CE1 TYR A 67 -3.724 22.603 3.849 1.00 1.00 C ATOM 988 CE2 TYR A 67 -2.871 23.318 5.968 1.00 1.00 C ATOM 989 CZ TYR A 67 -3.668 23.536 4.862 1.00 1.00 C ATOM 990 OH TYR A 67 -4.399 24.697 4.768 1.00 1.00 O ATOM 0 H TYR A 67 -1.778 19.242 7.568 1.00 1.00 H new ATOM 0 HA TYR A 67 -3.099 18.686 5.024 1.00 1.00 H new ATOM 0 HB2 TYR A 67 -0.541 20.093 5.864 1.00 1.00 H new ATOM 0 HB3 TYR A 67 -0.890 19.735 4.184 1.00 1.00 H new ATOM 0 HD1 TYR A 67 -3.021 20.715 3.151 1.00 1.00 H new ATOM 0 HD2 TYR A 67 -1.507 21.990 6.925 1.00 1.00 H new ATOM 0 HE1 TYR A 67 -4.348 22.776 2.985 1.00 1.00 H new ATOM 0 HE2 TYR A 67 -2.829 24.051 6.760 1.00 1.00 H new ATOM 0 HH TYR A 67 -4.247 25.245 5.566 1.00 1.00 H new ATOM 1000 N PRO A 68 -1.498 16.944 4.017 1.00 1.00 N ATOM 1001 CA PRO A 68 -0.721 15.794 3.552 1.00 1.00 C ATOM 1002 C PRO A 68 0.747 16.148 3.442 1.00 1.00 C ATOM 1003 O PRO A 68 1.099 17.318 3.299 1.00 1.00 O ATOM 1004 CB PRO A 68 -1.302 15.485 2.173 1.00 1.00 C ATOM 1005 CG PRO A 68 -1.950 16.752 1.735 1.00 1.00 C ATOM 1006 CD PRO A 68 -2.419 17.442 2.985 1.00 1.00 C ATOM 0 HA PRO A 68 -0.782 14.946 4.234 1.00 1.00 H new ATOM 0 HB2 PRO A 68 -0.522 15.179 1.476 1.00 1.00 H new ATOM 0 HB3 PRO A 68 -2.023 14.669 2.222 1.00 1.00 H new ATOM 0 HG2 PRO A 68 -1.247 17.378 1.186 1.00 1.00 H new ATOM 0 HG3 PRO A 68 -2.786 16.550 1.066 1.00 1.00 H new ATOM 0 HD2 PRO A 68 -2.366 18.526 2.889 1.00 1.00 H new ATOM 0 HD3 PRO A 68 -3.454 17.193 3.217 1.00 1.00 H new ATOM 1014 N THR A 69 1.607 15.151 3.497 1.00 1.00 N ATOM 1015 CA THR A 69 3.031 15.418 3.482 1.00 1.00 C ATOM 1016 C THR A 69 3.780 14.533 2.491 1.00 1.00 C ATOM 1017 O THR A 69 5.007 14.565 2.428 1.00 1.00 O ATOM 1018 CB THR A 69 3.622 15.215 4.887 1.00 1.00 C ATOM 1019 OG1 THR A 69 3.466 13.849 5.289 1.00 1.00 O ATOM 1020 CG2 THR A 69 2.935 16.117 5.896 1.00 1.00 C ATOM 0 H THR A 69 1.351 14.165 3.552 1.00 1.00 H new ATOM 0 HA THR A 69 3.155 16.454 3.165 1.00 1.00 H new ATOM 0 HB THR A 69 4.681 15.470 4.851 1.00 1.00 H new ATOM 0 HG1 THR A 69 3.846 13.726 6.184 1.00 1.00 H new ATOM 0 HG21 THR A 69 3.369 15.956 6.883 1.00 1.00 H new ATOM 0 HG22 THR A 69 3.071 17.159 5.605 1.00 1.00 H new ATOM 0 HG23 THR A 69 1.870 15.885 5.926 1.00 1.00 H new ATOM 1028 N ASP A 70 3.047 13.783 1.685 1.00 1.00 N ATOM 1029 CA ASP A 70 3.678 12.881 0.730 1.00 1.00 C ATOM 1030 C ASP A 70 3.911 13.580 -0.604 1.00 1.00 C ATOM 1031 O ASP A 70 3.031 14.271 -1.121 1.00 1.00 O ATOM 1032 CB ASP A 70 2.839 11.622 0.543 1.00 1.00 C ATOM 1033 CG ASP A 70 3.491 10.641 -0.409 1.00 1.00 C ATOM 1034 OD1 ASP A 70 4.566 10.103 -0.074 1.00 1.00 O ATOM 1035 OD2 ASP A 70 2.935 10.416 -1.500 1.00 1.00 O ATOM 0 H ASP A 70 2.027 13.778 1.670 1.00 1.00 H new ATOM 0 HA ASP A 70 4.648 12.587 1.130 1.00 1.00 H new ATOM 0 HB2 ASP A 70 2.686 11.142 1.509 1.00 1.00 H new ATOM 0 HB3 ASP A 70 1.855 11.896 0.163 1.00 1.00 H new ATOM 1040 N HIS A 71 5.119 13.417 -1.129 1.00 1.00 N ATOM 1041 CA HIS A 71 5.541 14.067 -2.362 1.00 1.00 C ATOM 1042 C HIS A 71 6.909 13.532 -2.768 1.00 1.00 C ATOM 1043 O HIS A 71 7.724 13.205 -1.909 1.00 1.00 O ATOM 1044 CB HIS A 71 5.555 15.601 -2.147 1.00 1.00 C ATOM 1045 CG HIS A 71 6.717 16.358 -2.740 1.00 1.00 C ATOM 1046 ND1 HIS A 71 6.592 17.208 -3.817 1.00 1.00 N ATOM 1047 CD2 HIS A 71 8.019 16.436 -2.359 1.00 1.00 C ATOM 1048 CE1 HIS A 71 7.759 17.769 -4.071 1.00 1.00 C ATOM 1049 NE2 HIS A 71 8.643 17.321 -3.203 1.00 1.00 N ATOM 0 H HIS A 71 5.837 12.827 -0.709 1.00 1.00 H new ATOM 0 HA HIS A 71 4.846 13.850 -3.173 1.00 1.00 H new ATOM 0 HB2 HIS A 71 4.634 16.011 -2.562 1.00 1.00 H new ATOM 0 HB3 HIS A 71 5.535 15.794 -1.074 1.00 1.00 H new ATOM 0 HD1 HIS A 71 5.731 17.377 -4.337 1.00 1.00 H new ATOM 0 HD2 HIS A 71 8.479 15.900 -1.542 1.00 1.00 H new ATOM 0 HE1 HIS A 71 7.957 18.479 -4.861 1.00 1.00 H new ATOM 0 HE2 HIS A 71 9.627 17.587 -3.164 1.00 1.00 H new ATOM 1058 N ARG A 72 7.192 13.514 -4.059 1.00 1.00 N ATOM 1059 CA ARG A 72 8.474 13.033 -4.528 1.00 1.00 C ATOM 1060 C ARG A 72 9.151 14.158 -5.294 1.00 1.00 C ATOM 1061 O ARG A 72 8.613 14.654 -6.281 1.00 1.00 O ATOM 1062 CB ARG A 72 8.300 11.777 -5.391 1.00 1.00 C ATOM 1063 CG ARG A 72 9.606 11.069 -5.705 1.00 1.00 C ATOM 1064 CD ARG A 72 10.275 11.640 -6.939 1.00 1.00 C ATOM 1065 NE ARG A 72 9.820 10.975 -8.161 1.00 1.00 N ATOM 1066 CZ ARG A 72 10.183 11.324 -9.392 1.00 1.00 C ATOM 1067 NH1 ARG A 72 11.002 12.351 -9.585 1.00 1.00 N ATOM 1068 NH2 ARG A 72 9.715 10.638 -10.430 1.00 1.00 N ATOM 0 H ARG A 72 6.556 13.825 -4.793 1.00 1.00 H new ATOM 0 HA ARG A 72 9.103 12.745 -3.685 1.00 1.00 H new ATOM 0 HB2 ARG A 72 7.635 11.083 -4.878 1.00 1.00 H new ATOM 0 HB3 ARG A 72 7.812 12.053 -6.326 1.00 1.00 H new ATOM 0 HG2 ARG A 72 10.280 11.156 -4.853 1.00 1.00 H new ATOM 0 HG3 ARG A 72 9.416 10.006 -5.854 1.00 1.00 H new ATOM 0 HD2 ARG A 72 10.064 12.707 -7.006 1.00 1.00 H new ATOM 0 HD3 ARG A 72 11.356 11.534 -6.848 1.00 1.00 H new ATOM 0 HE ARG A 72 9.179 10.188 -8.061 1.00 1.00 H new ATOM 0 HH11 ARG A 72 11.357 12.877 -8.787 1.00 1.00 H new ATOM 0 HH12 ARG A 72 11.277 12.613 -10.532 1.00 1.00 H new ATOM 0 HH21 ARG A 72 9.083 9.852 -10.279 1.00 1.00 H new ATOM 0 HH22 ARG A 72 9.988 10.898 -11.378 1.00 1.00 H new ATOM 1082 N ALA A 73 10.271 14.627 -4.765 1.00 1.00 N ATOM 1083 CA ALA A 73 10.976 15.764 -5.340 1.00 1.00 C ATOM 1084 C ALA A 73 11.374 15.524 -6.793 1.00 1.00 C ATOM 1085 O ALA A 73 11.835 14.444 -7.163 1.00 1.00 O ATOM 1086 CB ALA A 73 12.188 16.108 -4.502 1.00 1.00 C ATOM 0 H ALA A 73 10.714 14.235 -3.934 1.00 1.00 H new ATOM 0 HA ALA A 73 10.289 16.610 -5.336 1.00 1.00 H new ATOM 0 HB1 ALA A 73 12.706 16.960 -4.943 1.00 1.00 H new ATOM 0 HB2 ALA A 73 11.871 16.361 -3.490 1.00 1.00 H new ATOM 0 HB3 ALA A 73 12.862 15.252 -4.468 1.00 1.00 H new ATOM 1092 N ALA A 74 11.178 16.543 -7.610 1.00 1.00 N ATOM 1093 CA ALA A 74 11.523 16.482 -9.019 1.00 1.00 C ATOM 1094 C ALA A 74 12.394 17.669 -9.390 1.00 1.00 C ATOM 1095 O ALA A 74 12.422 18.667 -8.668 1.00 1.00 O ATOM 1096 CB ALA A 74 10.259 16.475 -9.867 1.00 1.00 C ATOM 0 H ALA A 74 10.776 17.434 -7.317 1.00 1.00 H new ATOM 0 HA ALA A 74 12.078 15.563 -9.209 1.00 1.00 H new ATOM 0 HB1 ALA A 74 10.529 16.429 -10.922 1.00 1.00 H new ATOM 0 HB2 ALA A 74 9.653 15.606 -9.609 1.00 1.00 H new ATOM 0 HB3 ALA A 74 9.689 17.384 -9.678 1.00 1.00 H new ATOM 1102 N GLN A 75 13.146 17.550 -10.474 1.00 1.00 N ATOM 1103 CA GLN A 75 13.976 18.644 -10.940 1.00 1.00 C ATOM 1104 C GLN A 75 13.211 19.428 -11.999 1.00 1.00 C ATOM 1105 O GLN A 75 12.260 18.913 -12.590 1.00 1.00 O ATOM 1106 CB GLN A 75 15.306 18.099 -11.493 1.00 1.00 C ATOM 1107 CG GLN A 75 16.069 19.070 -12.383 1.00 1.00 C ATOM 1108 CD GLN A 75 17.441 18.558 -12.767 1.00 1.00 C ATOM 1109 OE1 GLN A 75 17.673 17.348 -12.851 1.00 1.00 O ATOM 1110 NE2 GLN A 75 18.363 19.474 -13.012 1.00 1.00 N ATOM 0 H GLN A 75 13.197 16.706 -11.045 1.00 1.00 H new ATOM 0 HA GLN A 75 14.214 19.314 -10.113 1.00 1.00 H new ATOM 0 HB2 GLN A 75 15.944 17.817 -10.655 1.00 1.00 H new ATOM 0 HB3 GLN A 75 15.103 17.190 -12.060 1.00 1.00 H new ATOM 0 HG2 GLN A 75 15.490 19.259 -13.287 1.00 1.00 H new ATOM 0 HG3 GLN A 75 16.174 20.024 -11.866 1.00 1.00 H new ATOM 0 HE21 GLN A 75 18.132 20.464 -12.932 1.00 1.00 H new ATOM 0 HE22 GLN A 75 19.305 19.190 -13.281 1.00 1.00 H new ATOM 1119 N VAL A 76 13.559 20.689 -12.187 1.00 1.00 N ATOM 1120 CA VAL A 76 12.891 21.501 -13.189 1.00 1.00 C ATOM 1121 C VAL A 76 13.221 20.989 -14.580 1.00 1.00 C ATOM 1122 O VAL A 76 14.375 21.011 -15.012 1.00 1.00 O ATOM 1123 CB VAL A 76 13.302 22.974 -13.088 1.00 1.00 C ATOM 1124 CG1 VAL A 76 12.480 23.850 -13.999 1.00 1.00 C ATOM 1125 CG2 VAL A 76 13.226 23.461 -11.653 1.00 1.00 C ATOM 0 H VAL A 76 14.292 21.169 -11.665 1.00 1.00 H new ATOM 0 HA VAL A 76 11.819 21.427 -13.007 1.00 1.00 H new ATOM 0 HB VAL A 76 14.338 23.045 -13.419 1.00 1.00 H new ATOM 0 HG11 VAL A 76 12.803 24.886 -13.897 1.00 1.00 H new ATOM 0 HG12 VAL A 76 12.614 23.528 -15.032 1.00 1.00 H new ATOM 0 HG13 VAL A 76 11.427 23.770 -13.728 1.00 1.00 H new ATOM 0 HG21 VAL A 76 13.523 24.509 -11.608 1.00 1.00 H new ATOM 0 HG22 VAL A 76 12.205 23.357 -11.287 1.00 1.00 H new ATOM 0 HG23 VAL A 76 13.896 22.867 -11.031 1.00 1.00 H new ATOM 1135 N GLY A 77 12.217 20.460 -15.239 1.00 1.00 N ATOM 1136 CA GLY A 77 12.395 19.937 -16.567 1.00 1.00 C ATOM 1137 C GLY A 77 11.411 20.543 -17.532 1.00 1.00 C ATOM 1138 O GLY A 77 10.691 21.475 -17.174 1.00 1.00 O ATOM 0 H GLY A 77 11.268 20.382 -14.874 1.00 1.00 H new ATOM 0 HA2 GLY A 77 13.411 20.139 -16.906 1.00 1.00 H new ATOM 0 HA3 GLY A 77 12.273 18.854 -16.553 1.00 1.00 H new ATOM 1142 N THR A 78 11.311 19.949 -18.708 1.00 1.00 N ATOM 1143 CA THR A 78 10.418 20.425 -19.752 1.00 1.00 C ATOM 1144 C THR A 78 8.981 20.527 -19.267 1.00 1.00 C ATOM 1145 O THR A 78 8.349 21.568 -19.394 1.00 1.00 O ATOM 1146 CB THR A 78 10.469 19.479 -20.952 1.00 1.00 C ATOM 1147 OG1 THR A 78 11.771 19.515 -21.540 1.00 1.00 O ATOM 1148 CG2 THR A 78 9.411 19.833 -21.987 1.00 1.00 C ATOM 0 H THR A 78 11.847 19.121 -18.967 1.00 1.00 H new ATOM 0 HA THR A 78 10.756 21.421 -20.038 1.00 1.00 H new ATOM 0 HB THR A 78 10.259 18.469 -20.599 1.00 1.00 H new ATOM 0 HG1 THR A 78 11.800 18.906 -22.307 1.00 1.00 H new ATOM 0 HG21 THR A 78 9.476 19.140 -22.826 1.00 1.00 H new ATOM 0 HG22 THR A 78 8.422 19.763 -21.535 1.00 1.00 H new ATOM 0 HG23 THR A 78 9.576 20.850 -22.343 1.00 1.00 H new ATOM 1156 N GLU A 79 8.495 19.445 -18.689 1.00 1.00 N ATOM 1157 CA GLU A 79 7.138 19.379 -18.169 1.00 1.00 C ATOM 1158 C GLU A 79 6.893 20.480 -17.132 1.00 1.00 C ATOM 1159 O GLU A 79 5.779 20.981 -16.987 1.00 1.00 O ATOM 1160 CB GLU A 79 6.915 18.019 -17.528 1.00 1.00 C ATOM 1161 CG GLU A 79 7.862 17.763 -16.372 1.00 1.00 C ATOM 1162 CD GLU A 79 9.248 17.329 -16.791 1.00 1.00 C ATOM 1163 OE1 GLU A 79 9.376 16.342 -17.541 1.00 1.00 O ATOM 1164 OE2 GLU A 79 10.213 17.996 -16.371 1.00 1.00 O ATOM 0 H GLU A 79 9.029 18.585 -18.565 1.00 1.00 H new ATOM 0 HA GLU A 79 6.441 19.525 -18.994 1.00 1.00 H new ATOM 0 HB2 GLU A 79 5.886 17.952 -17.173 1.00 1.00 H new ATOM 0 HB3 GLU A 79 7.045 17.240 -18.280 1.00 1.00 H new ATOM 0 HG2 GLU A 79 7.943 18.671 -15.775 1.00 1.00 H new ATOM 0 HG3 GLU A 79 7.432 16.996 -15.728 1.00 1.00 H new ATOM 1171 N HIS A 80 7.946 20.840 -16.403 1.00 1.00 N ATOM 1172 CA HIS A 80 7.845 21.890 -15.395 1.00 1.00 C ATOM 1173 C HIS A 80 7.829 23.258 -16.066 1.00 1.00 C ATOM 1174 O HIS A 80 7.048 24.131 -15.703 1.00 1.00 O ATOM 1175 CB HIS A 80 8.984 21.788 -14.365 1.00 1.00 C ATOM 1176 CG HIS A 80 8.952 20.497 -13.600 1.00 1.00 C ATOM 1177 ND1 HIS A 80 9.540 19.329 -14.044 1.00 1.00 N ATOM 1178 CD2 HIS A 80 8.388 20.198 -12.406 1.00 1.00 C ATOM 1179 CE1 HIS A 80 9.342 18.375 -13.153 1.00 1.00 C ATOM 1180 NE2 HIS A 80 8.646 18.875 -12.151 1.00 1.00 N ATOM 0 H HIS A 80 8.873 20.423 -16.491 1.00 1.00 H new ATOM 0 HA HIS A 80 6.908 21.759 -14.853 1.00 1.00 H new ATOM 0 HB2 HIS A 80 9.942 21.880 -14.877 1.00 1.00 H new ATOM 0 HB3 HIS A 80 8.914 22.622 -13.667 1.00 1.00 H new ATOM 0 HD1 HIS A 80 10.047 19.220 -14.922 1.00 1.00 H new ATOM 0 HD2 HIS A 80 7.837 20.876 -11.771 1.00 1.00 H new ATOM 0 HE1 HIS A 80 9.691 17.356 -13.232 1.00 1.00 H new ATOM 1189 N LEU A 81 8.678 23.421 -17.070 1.00 1.00 N ATOM 1190 CA LEU A 81 8.748 24.660 -17.840 1.00 1.00 C ATOM 1191 C LEU A 81 7.473 24.869 -18.659 1.00 1.00 C ATOM 1192 O LEU A 81 7.181 25.982 -19.106 1.00 1.00 O ATOM 1193 CB LEU A 81 9.960 24.620 -18.776 1.00 1.00 C ATOM 1194 CG LEU A 81 11.298 24.291 -18.104 1.00 1.00 C ATOM 1195 CD1 LEU A 81 12.343 23.967 -19.155 1.00 1.00 C ATOM 1196 CD2 LEU A 81 11.769 25.440 -17.219 1.00 1.00 C ATOM 0 H LEU A 81 9.336 22.704 -17.375 1.00 1.00 H new ATOM 0 HA LEU A 81 8.850 25.491 -17.142 1.00 1.00 H new ATOM 0 HB2 LEU A 81 9.772 23.881 -19.555 1.00 1.00 H new ATOM 0 HB3 LEU A 81 10.049 25.588 -19.270 1.00 1.00 H new ATOM 0 HG LEU A 81 11.154 23.418 -17.467 1.00 1.00 H new ATOM 0 HD11 LEU A 81 13.290 23.735 -18.667 1.00 1.00 H new ATOM 0 HD12 LEU A 81 12.016 23.108 -19.740 1.00 1.00 H new ATOM 0 HD13 LEU A 81 12.475 24.826 -19.813 1.00 1.00 H new ATOM 0 HD21 LEU A 81 12.720 25.177 -16.756 1.00 1.00 H new ATOM 0 HD22 LEU A 81 11.896 26.337 -17.825 1.00 1.00 H new ATOM 0 HD23 LEU A 81 11.028 25.629 -16.442 1.00 1.00 H new ATOM 1208 N ALA A 82 6.732 23.787 -18.866 1.00 1.00 N ATOM 1209 CA ALA A 82 5.513 23.819 -19.654 1.00 1.00 C ATOM 1210 C ALA A 82 4.312 24.183 -18.795 1.00 1.00 C ATOM 1211 O ALA A 82 3.195 24.325 -19.302 1.00 1.00 O ATOM 1212 CB ALA A 82 5.291 22.472 -20.318 1.00 1.00 C ATOM 0 H ALA A 82 6.961 22.866 -18.492 1.00 1.00 H new ATOM 0 HA ALA A 82 5.623 24.586 -20.421 1.00 1.00 H new ATOM 0 HB1 ALA A 82 4.375 22.504 -20.907 1.00 1.00 H new ATOM 0 HB2 ALA A 82 6.134 22.244 -20.970 1.00 1.00 H new ATOM 0 HB3 ALA A 82 5.204 21.700 -19.554 1.00 1.00 H new ATOM 1218 N ALA A 83 4.541 24.281 -17.493 1.00 1.00 N ATOM 1219 CA ALA A 83 3.482 24.616 -16.555 1.00 1.00 C ATOM 1220 C ALA A 83 2.872 25.979 -16.872 1.00 1.00 C ATOM 1221 O ALA A 83 3.536 26.849 -17.442 1.00 1.00 O ATOM 1222 CB ALA A 83 4.014 24.591 -15.134 1.00 1.00 C ATOM 0 H ALA A 83 5.454 24.133 -17.063 1.00 1.00 H new ATOM 0 HA ALA A 83 2.695 23.868 -16.652 1.00 1.00 H new ATOM 0 HB1 ALA A 83 3.212 24.844 -14.441 1.00 1.00 H new ATOM 0 HB2 ALA A 83 4.392 23.595 -14.904 1.00 1.00 H new ATOM 0 HB3 ALA A 83 4.821 25.317 -15.035 1.00 1.00 H new ATOM 1228 N ASP A 84 1.610 26.162 -16.499 1.00 1.00 N ATOM 1229 CA ASP A 84 0.911 27.425 -16.745 1.00 1.00 C ATOM 1230 C ASP A 84 1.363 28.471 -15.743 1.00 1.00 C ATOM 1231 O ASP A 84 1.270 29.670 -15.992 1.00 1.00 O ATOM 1232 CB ASP A 84 -0.611 27.245 -16.642 1.00 1.00 C ATOM 1233 CG ASP A 84 -1.371 28.390 -17.288 1.00 1.00 C ATOM 1234 OD1 ASP A 84 -1.186 28.614 -18.503 1.00 1.00 O ATOM 1235 OD2 ASP A 84 -2.181 29.037 -16.596 1.00 1.00 O ATOM 0 H ASP A 84 1.048 25.455 -16.026 1.00 1.00 H new ATOM 0 HA ASP A 84 1.154 27.753 -17.756 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -0.897 26.307 -17.118 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -0.896 27.169 -15.593 1.00 1.00 H new ATOM 1240 N LEU A 85 1.974 28.004 -14.664 1.00 1.00 N ATOM 1241 CA LEU A 85 2.397 28.880 -13.591 1.00 1.00 C ATOM 1242 C LEU A 85 3.570 28.262 -12.871 1.00 1.00 C ATOM 1243 O LEU A 85 3.469 27.174 -12.311 1.00 1.00 O ATOM 1244 CB LEU A 85 1.253 29.086 -12.595 1.00 1.00 C ATOM 1245 CG LEU A 85 1.339 30.325 -11.692 1.00 1.00 C ATOM 1246 CD1 LEU A 85 0.395 30.170 -10.534 1.00 1.00 C ATOM 1247 CD2 LEU A 85 2.734 30.551 -11.167 1.00 1.00 C ATOM 0 H LEU A 85 2.187 27.018 -14.512 1.00 1.00 H new ATOM 0 HA LEU A 85 2.684 29.843 -14.014 1.00 1.00 H new ATOM 0 HB2 LEU A 85 0.319 29.137 -13.155 1.00 1.00 H new ATOM 0 HB3 LEU A 85 1.194 28.204 -11.957 1.00 1.00 H new ATOM 0 HG LEU A 85 1.065 31.190 -12.296 1.00 1.00 H new ATOM 0 HD11 LEU A 85 0.457 31.050 -9.894 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -0.624 30.063 -10.907 1.00 1.00 H new ATOM 0 HD13 LEU A 85 0.666 29.284 -9.960 1.00 1.00 H new ATOM 0 HD21 LEU A 85 2.745 31.438 -10.534 1.00 1.00 H new ATOM 0 HD22 LEU A 85 3.048 29.685 -10.584 1.00 1.00 H new ATOM 0 HD23 LEU A 85 3.419 30.693 -12.003 1.00 1.00 H new ATOM 1259 N LEU A 86 4.694 28.930 -12.936 1.00 1.00 N ATOM 1260 CA LEU A 86 5.849 28.473 -12.244 1.00 1.00 C ATOM 1261 C LEU A 86 6.114 29.354 -11.038 1.00 1.00 C ATOM 1262 O LEU A 86 6.564 30.487 -11.165 1.00 1.00 O ATOM 1263 CB LEU A 86 7.015 28.413 -13.206 1.00 1.00 C ATOM 1264 CG LEU A 86 6.815 27.424 -14.366 1.00 1.00 C ATOM 1265 CD1 LEU A 86 5.840 27.934 -15.411 1.00 1.00 C ATOM 1266 CD2 LEU A 86 8.130 27.132 -15.008 1.00 1.00 C ATOM 0 H LEU A 86 4.823 29.793 -13.465 1.00 1.00 H new ATOM 0 HA LEU A 86 5.693 27.464 -11.861 1.00 1.00 H new ATOM 0 HB2 LEU A 86 7.187 29.408 -13.616 1.00 1.00 H new ATOM 0 HB3 LEU A 86 7.914 28.135 -12.655 1.00 1.00 H new ATOM 0 HG LEU A 86 6.387 26.515 -13.943 1.00 1.00 H new ATOM 0 HD11 LEU A 86 5.738 27.195 -16.205 1.00 1.00 H new ATOM 0 HD12 LEU A 86 4.868 28.106 -14.949 1.00 1.00 H new ATOM 0 HD13 LEU A 86 6.212 28.868 -15.831 1.00 1.00 H new ATOM 0 HD21 LEU A 86 7.986 26.431 -15.830 1.00 1.00 H new ATOM 0 HD22 LEU A 86 8.561 28.057 -15.391 1.00 1.00 H new ATOM 0 HD23 LEU A 86 8.805 26.695 -14.272 1.00 1.00 H new ATOM 1278 N VAL A 87 5.842 28.799 -9.871 1.00 1.00 N ATOM 1279 CA VAL A 87 5.964 29.533 -8.619 1.00 1.00 C ATOM 1280 C VAL A 87 7.392 29.478 -8.093 1.00 1.00 C ATOM 1281 O VAL A 87 7.801 28.515 -7.449 1.00 1.00 O ATOM 1282 CB VAL A 87 4.992 28.999 -7.544 1.00 1.00 C ATOM 1283 CG1 VAL A 87 5.310 29.575 -6.178 1.00 1.00 C ATOM 1284 CG2 VAL A 87 3.558 29.323 -7.920 1.00 1.00 C ATOM 0 H VAL A 87 5.532 27.833 -9.761 1.00 1.00 H new ATOM 0 HA VAL A 87 5.701 30.569 -8.832 1.00 1.00 H new ATOM 0 HB VAL A 87 5.114 27.917 -7.495 1.00 1.00 H new ATOM 0 HG11 VAL A 87 4.608 29.179 -5.444 1.00 1.00 H new ATOM 0 HG12 VAL A 87 6.326 29.299 -5.894 1.00 1.00 H new ATOM 0 HG13 VAL A 87 5.225 30.661 -6.212 1.00 1.00 H new ATOM 0 HG21 VAL A 87 2.885 28.940 -7.153 1.00 1.00 H new ATOM 0 HG22 VAL A 87 3.438 30.403 -8.001 1.00 1.00 H new ATOM 0 HG23 VAL A 87 3.319 28.859 -8.877 1.00 1.00 H new ATOM 1294 N ALA A 88 8.166 30.479 -8.445 1.00 1.00 N ATOM 1295 CA ALA A 88 9.540 30.557 -7.992 1.00 1.00 C ATOM 1296 C ALA A 88 9.601 31.098 -6.569 1.00 1.00 C ATOM 1297 O ALA A 88 8.776 31.924 -6.165 1.00 1.00 O ATOM 1298 CB ALA A 88 10.380 31.390 -8.940 1.00 1.00 C ATOM 0 H ALA A 88 7.870 31.251 -9.043 1.00 1.00 H new ATOM 0 HA ALA A 88 9.959 29.551 -7.987 1.00 1.00 H new ATOM 0 HB1 ALA A 88 11.406 31.432 -8.576 1.00 1.00 H new ATOM 0 HB2 ALA A 88 10.365 30.938 -9.932 1.00 1.00 H new ATOM 0 HB3 ALA A 88 9.973 32.400 -8.995 1.00 1.00 H new ATOM 1304 N LEU A 89 10.561 30.608 -5.801 1.00 1.00 N ATOM 1305 CA LEU A 89 10.729 31.032 -4.424 1.00 1.00 C ATOM 1306 C LEU A 89 11.790 32.123 -4.324 1.00 1.00 C ATOM 1307 O LEU A 89 11.931 32.782 -3.296 1.00 1.00 O ATOM 1308 CB LEU A 89 11.107 29.826 -3.554 1.00 1.00 C ATOM 1309 CG LEU A 89 9.924 28.981 -3.054 1.00 1.00 C ATOM 1310 CD1 LEU A 89 8.915 29.858 -2.330 1.00 1.00 C ATOM 1311 CD2 LEU A 89 9.258 28.230 -4.195 1.00 1.00 C ATOM 0 H LEU A 89 11.239 29.912 -6.112 1.00 1.00 H new ATOM 0 HA LEU A 89 9.787 31.446 -4.063 1.00 1.00 H new ATOM 0 HB2 LEU A 89 11.776 29.182 -4.125 1.00 1.00 H new ATOM 0 HB3 LEU A 89 11.668 30.183 -2.690 1.00 1.00 H new ATOM 0 HG LEU A 89 10.312 28.242 -2.353 1.00 1.00 H new ATOM 0 HD11 LEU A 89 8.084 29.245 -1.982 1.00 1.00 H new ATOM 0 HD12 LEU A 89 9.395 30.336 -1.476 1.00 1.00 H new ATOM 0 HD13 LEU A 89 8.542 30.622 -3.012 1.00 1.00 H new ATOM 0 HD21 LEU A 89 8.426 27.643 -3.807 1.00 1.00 H new ATOM 0 HD22 LEU A 89 8.887 28.942 -4.932 1.00 1.00 H new ATOM 0 HD23 LEU A 89 9.983 27.566 -4.665 1.00 1.00 H new ATOM 1323 N ASP A 90 12.531 32.303 -5.408 1.00 1.00 N ATOM 1324 CA ASP A 90 13.578 33.319 -5.460 1.00 1.00 C ATOM 1325 C ASP A 90 13.793 33.818 -6.888 1.00 1.00 C ATOM 1326 O ASP A 90 13.435 33.136 -7.854 1.00 1.00 O ATOM 1327 CB ASP A 90 14.884 32.762 -4.873 1.00 1.00 C ATOM 1328 CG ASP A 90 15.996 32.666 -5.894 1.00 1.00 C ATOM 1329 OD1 ASP A 90 16.024 31.678 -6.655 1.00 1.00 O ATOM 1330 OD2 ASP A 90 16.819 33.595 -5.964 1.00 1.00 O ATOM 0 H ASP A 90 12.428 31.759 -6.265 1.00 1.00 H new ATOM 0 HA ASP A 90 13.260 34.171 -4.859 1.00 1.00 H new ATOM 0 HB2 ASP A 90 15.207 33.400 -4.050 1.00 1.00 H new ATOM 0 HB3 ASP A 90 14.696 31.773 -4.455 1.00 1.00 H new ATOM 1335 N ARG A 91 14.356 35.022 -6.994 1.00 1.00 N ATOM 1336 CA ARG A 91 14.644 35.676 -8.276 1.00 1.00 C ATOM 1337 C ARG A 91 15.471 34.810 -9.230 1.00 1.00 C ATOM 1338 O ARG A 91 15.318 34.905 -10.450 1.00 1.00 O ATOM 1339 CB ARG A 91 15.388 36.994 -8.025 1.00 1.00 C ATOM 1340 CG ARG A 91 16.411 36.909 -6.898 1.00 1.00 C ATOM 1341 CD ARG A 91 17.339 38.114 -6.875 1.00 1.00 C ATOM 1342 NE ARG A 91 18.498 37.935 -7.746 1.00 1.00 N ATOM 1343 CZ ARG A 91 18.812 38.742 -8.756 1.00 1.00 C ATOM 1344 NH1 ARG A 91 18.050 39.790 -9.047 1.00 1.00 N ATOM 1345 NH2 ARG A 91 19.906 38.508 -9.461 1.00 1.00 N ATOM 0 H ARG A 91 14.629 35.579 -6.184 1.00 1.00 H new ATOM 0 HA ARG A 91 13.682 35.853 -8.757 1.00 1.00 H new ATOM 0 HB2 ARG A 91 15.893 37.297 -8.942 1.00 1.00 H new ATOM 0 HB3 ARG A 91 14.663 37.772 -7.789 1.00 1.00 H new ATOM 0 HG2 ARG A 91 15.892 36.834 -5.943 1.00 1.00 H new ATOM 0 HG3 ARG A 91 17.001 36.000 -7.013 1.00 1.00 H new ATOM 0 HD2 ARG A 91 16.787 39.001 -7.185 1.00 1.00 H new ATOM 0 HD3 ARG A 91 17.678 38.290 -5.854 1.00 1.00 H new ATOM 0 HE ARG A 91 19.108 37.137 -7.568 1.00 1.00 H new ATOM 0 HH11 ARG A 91 17.215 39.983 -8.494 1.00 1.00 H new ATOM 0 HH12 ARG A 91 18.300 40.402 -9.824 1.00 1.00 H new ATOM 0 HH21 ARG A 91 20.502 37.713 -9.229 1.00 1.00 H new ATOM 0 HH22 ARG A 91 20.154 39.122 -10.237 1.00 1.00 H new ATOM 1359 N ASN A 92 16.311 33.940 -8.688 1.00 1.00 N ATOM 1360 CA ASN A 92 17.172 33.123 -9.533 1.00 1.00 C ATOM 1361 C ASN A 92 16.391 31.992 -10.164 1.00 1.00 C ATOM 1362 O ASN A 92 16.479 31.774 -11.372 1.00 1.00 O ATOM 1363 CB ASN A 92 18.357 32.567 -8.748 1.00 1.00 C ATOM 1364 CG ASN A 92 19.528 33.526 -8.714 1.00 1.00 C ATOM 1365 OD1 ASN A 92 19.733 34.243 -9.810 1.00 1.00 O flip ATOM 1366 ND2 ASN A 92 20.258 33.613 -7.728 1.00 1.00 N flip ATOM 0 H ASN A 92 16.415 33.782 -7.686 1.00 1.00 H new ATOM 0 HA ASN A 92 17.558 33.767 -10.323 1.00 1.00 H new ATOM 0 HB2 ASN A 92 18.042 32.346 -7.728 1.00 1.00 H new ATOM 0 HB3 ASN A 92 18.675 31.625 -9.195 1.00 1.00 H new ATOM 0 HD21 ASN A 92 20.069 33.045 -6.902 1.00 1.00 H new ATOM 0 HD22 ASN A 92 21.052 34.253 -7.736 1.00 1.00 H new ATOM 1373 N HIS A 93 15.619 31.277 -9.351 1.00 1.00 N ATOM 1374 CA HIS A 93 14.808 30.174 -9.852 1.00 1.00 C ATOM 1375 C HIS A 93 13.891 30.670 -10.967 1.00 1.00 C ATOM 1376 O HIS A 93 13.835 30.068 -12.036 1.00 1.00 O ATOM 1377 CB HIS A 93 13.966 29.529 -8.737 1.00 1.00 C ATOM 1378 CG HIS A 93 14.733 29.174 -7.498 1.00 1.00 C ATOM 1379 ND1 HIS A 93 14.228 29.356 -6.230 1.00 1.00 N ATOM 1380 CD2 HIS A 93 15.973 28.645 -7.331 1.00 1.00 C ATOM 1381 CE1 HIS A 93 15.118 28.963 -5.341 1.00 1.00 C ATOM 1382 NE2 HIS A 93 16.188 28.526 -5.977 1.00 1.00 N ATOM 0 H HIS A 93 15.538 31.441 -8.347 1.00 1.00 H new ATOM 0 HA HIS A 93 15.487 29.414 -10.239 1.00 1.00 H new ATOM 0 HB2 HIS A 93 13.161 30.213 -8.466 1.00 1.00 H new ATOM 0 HB3 HIS A 93 13.498 28.626 -9.130 1.00 1.00 H new ATOM 0 HD1 HIS A 93 13.307 29.736 -6.012 1.00 1.00 H new ATOM 0 HD2 HIS A 93 16.662 28.369 -8.115 1.00 1.00 H new ATOM 0 HE1 HIS A 93 14.992 28.994 -4.269 1.00 1.00 H new ATOM 1391 N ALA A 94 13.230 31.808 -10.736 1.00 1.00 N ATOM 1392 CA ALA A 94 12.339 32.394 -11.735 1.00 1.00 C ATOM 1393 C ALA A 94 13.097 32.705 -13.020 1.00 1.00 C ATOM 1394 O ALA A 94 12.603 32.452 -14.122 1.00 1.00 O ATOM 1395 CB ALA A 94 11.672 33.655 -11.193 1.00 1.00 C ATOM 0 H ALA A 94 13.296 32.339 -9.868 1.00 1.00 H new ATOM 0 HA ALA A 94 11.562 31.664 -11.962 1.00 1.00 H new ATOM 0 HB1 ALA A 94 11.013 34.074 -11.954 1.00 1.00 H new ATOM 0 HB2 ALA A 94 11.090 33.406 -10.306 1.00 1.00 H new ATOM 0 HB3 ALA A 94 12.436 34.387 -10.932 1.00 1.00 H new ATOM 1401 N ARG A 95 14.296 33.265 -12.866 1.00 1.00 N ATOM 1402 CA ARG A 95 15.142 33.600 -14.006 1.00 1.00 C ATOM 1403 C ARG A 95 15.479 32.374 -14.831 1.00 1.00 C ATOM 1404 O ARG A 95 15.387 32.400 -16.058 1.00 1.00 O ATOM 1405 CB ARG A 95 16.435 34.271 -13.540 1.00 1.00 C ATOM 1406 CG ARG A 95 17.581 34.115 -14.528 1.00 1.00 C ATOM 1407 CD ARG A 95 18.761 34.992 -14.161 1.00 1.00 C ATOM 1408 NE ARG A 95 19.622 35.266 -15.309 1.00 1.00 N ATOM 1409 CZ ARG A 95 20.888 35.664 -15.217 1.00 1.00 C ATOM 1410 NH1 ARG A 95 21.492 35.720 -14.034 1.00 1.00 N ATOM 1411 NH2 ARG A 95 21.556 35.984 -16.318 1.00 1.00 N ATOM 0 H ARG A 95 14.703 33.496 -11.959 1.00 1.00 H new ATOM 0 HA ARG A 95 14.579 34.293 -14.632 1.00 1.00 H new ATOM 0 HB2 ARG A 95 16.247 35.332 -13.376 1.00 1.00 H new ATOM 0 HB3 ARG A 95 16.731 33.847 -12.580 1.00 1.00 H new ATOM 0 HG2 ARG A 95 17.898 33.072 -14.556 1.00 1.00 H new ATOM 0 HG3 ARG A 95 17.235 34.371 -15.530 1.00 1.00 H new ATOM 0 HD2 ARG A 95 18.398 35.933 -13.748 1.00 1.00 H new ATOM 0 HD3 ARG A 95 19.344 34.505 -13.379 1.00 1.00 H new ATOM 0 HE ARG A 95 19.227 35.144 -16.241 1.00 1.00 H new ATOM 0 HH11 ARG A 95 20.984 35.457 -13.189 1.00 1.00 H new ATOM 0 HH12 ARG A 95 22.463 36.026 -13.971 1.00 1.00 H new ATOM 0 HH21 ARG A 95 21.098 35.924 -17.228 1.00 1.00 H new ATOM 0 HH22 ARG A 95 22.527 36.290 -16.255 1.00 1.00 H new ATOM 1425 N LEU A 96 15.835 31.297 -14.155 1.00 1.00 N ATOM 1426 CA LEU A 96 16.258 30.093 -14.836 1.00 1.00 C ATOM 1427 C LEU A 96 15.113 29.527 -15.652 1.00 1.00 C ATOM 1428 O LEU A 96 15.247 29.314 -16.844 1.00 1.00 O ATOM 1429 CB LEU A 96 16.752 29.048 -13.834 1.00 1.00 C ATOM 1430 CG LEU A 96 17.835 29.539 -12.876 1.00 1.00 C ATOM 1431 CD1 LEU A 96 18.276 28.421 -11.944 1.00 1.00 C ATOM 1432 CD2 LEU A 96 19.026 30.100 -13.644 1.00 1.00 C ATOM 0 H LEU A 96 15.839 31.234 -13.137 1.00 1.00 H new ATOM 0 HA LEU A 96 17.081 30.348 -15.503 1.00 1.00 H new ATOM 0 HB2 LEU A 96 15.902 28.696 -13.249 1.00 1.00 H new ATOM 0 HB3 LEU A 96 17.137 28.190 -14.385 1.00 1.00 H new ATOM 0 HG LEU A 96 17.413 30.342 -12.272 1.00 1.00 H new ATOM 0 HD11 LEU A 96 19.048 28.792 -11.270 1.00 1.00 H new ATOM 0 HD12 LEU A 96 17.422 28.074 -11.362 1.00 1.00 H new ATOM 0 HD13 LEU A 96 18.675 27.594 -12.531 1.00 1.00 H new ATOM 0 HD21 LEU A 96 19.784 30.443 -12.940 1.00 1.00 H new ATOM 0 HD22 LEU A 96 19.448 29.322 -14.280 1.00 1.00 H new ATOM 0 HD23 LEU A 96 18.699 30.937 -14.262 1.00 1.00 H new ATOM 1444 N LEU A 97 13.960 29.407 -15.020 1.00 1.00 N ATOM 1445 CA LEU A 97 12.774 28.860 -15.670 1.00 1.00 C ATOM 1446 C LEU A 97 12.481 29.581 -16.980 1.00 1.00 C ATOM 1447 O LEU A 97 12.438 28.964 -18.043 1.00 1.00 O ATOM 1448 CB LEU A 97 11.559 29.010 -14.755 1.00 1.00 C ATOM 1449 CG LEU A 97 11.734 28.497 -13.332 1.00 1.00 C ATOM 1450 CD1 LEU A 97 10.545 28.897 -12.477 1.00 1.00 C ATOM 1451 CD2 LEU A 97 11.907 26.994 -13.328 1.00 1.00 C ATOM 0 H LEU A 97 13.815 29.683 -14.049 1.00 1.00 H new ATOM 0 HA LEU A 97 12.968 27.807 -15.875 1.00 1.00 H new ATOM 0 HB2 LEU A 97 11.290 30.065 -14.710 1.00 1.00 H new ATOM 0 HB3 LEU A 97 10.719 28.485 -15.209 1.00 1.00 H new ATOM 0 HG LEU A 97 12.632 28.947 -12.910 1.00 1.00 H new ATOM 0 HD11 LEU A 97 10.684 28.523 -11.463 1.00 1.00 H new ATOM 0 HD12 LEU A 97 10.462 29.984 -12.455 1.00 1.00 H new ATOM 0 HD13 LEU A 97 9.634 28.472 -12.899 1.00 1.00 H new ATOM 0 HD21 LEU A 97 12.031 26.645 -12.303 1.00 1.00 H new ATOM 0 HD22 LEU A 97 11.026 26.525 -13.767 1.00 1.00 H new ATOM 0 HD23 LEU A 97 12.789 26.728 -13.911 1.00 1.00 H new ATOM 1463 N ARG A 98 12.312 30.894 -16.901 1.00 1.00 N ATOM 1464 CA ARG A 98 11.956 31.685 -18.071 1.00 1.00 C ATOM 1465 C ARG A 98 13.024 31.599 -19.162 1.00 1.00 C ATOM 1466 O ARG A 98 12.700 31.481 -20.342 1.00 1.00 O ATOM 1467 CB ARG A 98 11.678 33.136 -17.673 1.00 1.00 C ATOM 1468 CG ARG A 98 12.885 33.887 -17.142 1.00 1.00 C ATOM 1469 CD ARG A 98 12.458 35.079 -16.313 1.00 1.00 C ATOM 1470 NE ARG A 98 13.399 36.189 -16.412 1.00 1.00 N ATOM 1471 CZ ARG A 98 13.409 37.233 -15.588 1.00 1.00 C ATOM 1472 NH1 ARG A 98 12.578 37.275 -14.551 1.00 1.00 N ATOM 1473 NH2 ARG A 98 14.261 38.233 -15.793 1.00 1.00 N ATOM 0 H ARG A 98 12.415 31.433 -16.041 1.00 1.00 H new ATOM 0 HA ARG A 98 11.042 31.266 -18.491 1.00 1.00 H new ATOM 0 HB2 ARG A 98 11.288 33.669 -18.540 1.00 1.00 H new ATOM 0 HB3 ARG A 98 10.896 33.147 -16.914 1.00 1.00 H new ATOM 0 HG2 ARG A 98 13.497 33.218 -16.536 1.00 1.00 H new ATOM 0 HG3 ARG A 98 13.505 34.221 -17.974 1.00 1.00 H new ATOM 0 HD2 ARG A 98 11.472 35.411 -16.639 1.00 1.00 H new ATOM 0 HD3 ARG A 98 12.364 34.778 -15.270 1.00 1.00 H new ATOM 0 HE ARG A 98 14.092 36.163 -17.160 1.00 1.00 H new ATOM 0 HH11 ARG A 98 11.930 36.505 -14.385 1.00 1.00 H new ATOM 0 HH12 ARG A 98 12.589 38.077 -13.921 1.00 1.00 H new ATOM 0 HH21 ARG A 98 14.907 38.199 -16.582 1.00 1.00 H new ATOM 0 HH22 ARG A 98 14.269 39.034 -15.161 1.00 1.00 H new ATOM 1487 N GLN A 99 14.291 31.644 -18.768 1.00 1.00 N ATOM 1488 CA GLN A 99 15.384 31.538 -19.727 1.00 1.00 C ATOM 1489 C GLN A 99 15.446 30.121 -20.311 1.00 1.00 C ATOM 1490 O GLN A 99 15.868 29.923 -21.449 1.00 1.00 O ATOM 1491 CB GLN A 99 16.721 31.963 -19.083 1.00 1.00 C ATOM 1492 CG GLN A 99 17.345 30.961 -18.119 1.00 1.00 C ATOM 1493 CD GLN A 99 18.495 30.183 -18.738 1.00 1.00 C ATOM 1494 OE1 GLN A 99 18.536 29.960 -19.945 1.00 1.00 O ATOM 1495 NE2 GLN A 99 19.440 29.764 -17.910 1.00 1.00 N ATOM 0 H GLN A 99 14.586 31.752 -17.798 1.00 1.00 H new ATOM 0 HA GLN A 99 15.197 32.224 -20.554 1.00 1.00 H new ATOM 0 HB2 GLN A 99 17.437 32.166 -19.879 1.00 1.00 H new ATOM 0 HB3 GLN A 99 16.563 32.901 -18.550 1.00 1.00 H new ATOM 0 HG2 GLN A 99 17.704 31.489 -17.236 1.00 1.00 H new ATOM 0 HG3 GLN A 99 16.579 30.262 -17.783 1.00 1.00 H new ATOM 0 HE21 GLN A 99 19.372 29.968 -16.913 1.00 1.00 H new ATOM 0 HE22 GLN A 99 20.236 29.237 -18.269 1.00 1.00 H new ATOM 1504 N LEU A 100 14.939 29.157 -19.553 1.00 1.00 N ATOM 1505 CA LEU A 100 14.940 27.756 -19.957 1.00 1.00 C ATOM 1506 C LEU A 100 13.832 27.441 -20.965 1.00 1.00 C ATOM 1507 O LEU A 100 13.859 26.394 -21.607 1.00 1.00 O ATOM 1508 CB LEU A 100 14.801 26.856 -18.719 1.00 1.00 C ATOM 1509 CG LEU A 100 16.022 26.811 -17.792 1.00 1.00 C ATOM 1510 CD1 LEU A 100 15.932 25.626 -16.846 1.00 1.00 C ATOM 1511 CD2 LEU A 100 17.312 26.777 -18.594 1.00 1.00 C ATOM 0 H LEU A 100 14.515 29.324 -18.640 1.00 1.00 H new ATOM 0 HA LEU A 100 15.891 27.558 -20.452 1.00 1.00 H new ATOM 0 HB2 LEU A 100 13.941 27.194 -18.141 1.00 1.00 H new ATOM 0 HB3 LEU A 100 14.583 25.841 -19.052 1.00 1.00 H new ATOM 0 HG LEU A 100 16.029 27.721 -17.192 1.00 1.00 H new ATOM 0 HD11 LEU A 100 16.807 25.612 -16.197 1.00 1.00 H new ATOM 0 HD12 LEU A 100 15.031 25.713 -16.239 1.00 1.00 H new ATOM 0 HD13 LEU A 100 15.893 24.702 -17.423 1.00 1.00 H new ATOM 0 HD21 LEU A 100 18.163 26.745 -17.913 1.00 1.00 H new ATOM 0 HD22 LEU A 100 17.322 25.891 -19.229 1.00 1.00 H new ATOM 0 HD23 LEU A 100 17.378 27.670 -19.216 1.00 1.00 H new ATOM 1523 N GLY A 101 12.873 28.347 -21.127 1.00 1.00 N ATOM 1524 CA GLY A 101 11.779 28.090 -22.048 1.00 1.00 C ATOM 1525 C GLY A 101 10.482 28.736 -21.617 1.00 1.00 C ATOM 1526 O GLY A 101 9.567 28.925 -22.421 1.00 1.00 O ATOM 0 H GLY A 101 12.832 29.244 -20.644 1.00 1.00 H new ATOM 0 HA2 GLY A 101 12.050 28.457 -23.038 1.00 1.00 H new ATOM 0 HA3 GLY A 101 11.631 27.014 -22.137 1.00 1.00 H new ATOM 1530 N VAL A 102 10.382 29.010 -20.330 1.00 1.00 N ATOM 1531 CA VAL A 102 9.210 29.655 -19.755 1.00 1.00 C ATOM 1532 C VAL A 102 9.231 31.157 -20.085 1.00 1.00 C ATOM 1533 O VAL A 102 9.868 31.586 -21.046 1.00 1.00 O ATOM 1534 CB VAL A 102 9.161 29.422 -18.222 1.00 1.00 C ATOM 1535 CG1 VAL A 102 7.794 29.693 -17.637 1.00 1.00 C ATOM 1536 CG2 VAL A 102 9.579 28.012 -17.876 1.00 1.00 C ATOM 0 H VAL A 102 11.111 28.792 -19.650 1.00 1.00 H new ATOM 0 HA VAL A 102 8.311 29.217 -20.188 1.00 1.00 H new ATOM 0 HB VAL A 102 9.862 30.132 -17.784 1.00 1.00 H new ATOM 0 HG11 VAL A 102 7.816 29.514 -16.562 1.00 1.00 H new ATOM 0 HG12 VAL A 102 7.516 30.730 -17.827 1.00 1.00 H new ATOM 0 HG13 VAL A 102 7.062 29.031 -18.100 1.00 1.00 H new ATOM 0 HG21 VAL A 102 9.536 27.875 -16.796 1.00 1.00 H new ATOM 0 HG22 VAL A 102 8.906 27.304 -18.359 1.00 1.00 H new ATOM 0 HG23 VAL A 102 10.597 27.839 -18.224 1.00 1.00 H new ATOM 1546 N GLU A 103 8.541 31.939 -19.283 1.00 1.00 N ATOM 1547 CA GLU A 103 8.453 33.376 -19.453 1.00 1.00 C ATOM 1548 C GLU A 103 7.767 33.941 -18.231 1.00 1.00 C ATOM 1549 O GLU A 103 7.189 33.181 -17.452 1.00 1.00 O ATOM 1550 CB GLU A 103 7.661 33.740 -20.711 1.00 1.00 C ATOM 1551 CG GLU A 103 6.229 33.254 -20.697 1.00 1.00 C ATOM 1552 CD GLU A 103 5.520 33.544 -21.998 1.00 1.00 C ATOM 1553 OE1 GLU A 103 5.482 34.725 -22.402 1.00 1.00 O ATOM 1554 OE2 GLU A 103 4.991 32.594 -22.613 1.00 1.00 O ATOM 0 H GLU A 103 8.016 31.590 -18.481 1.00 1.00 H new ATOM 0 HA GLU A 103 9.454 33.793 -19.567 1.00 1.00 H new ATOM 0 HB2 GLU A 103 7.665 34.823 -20.830 1.00 1.00 H new ATOM 0 HB3 GLU A 103 8.168 33.322 -21.581 1.00 1.00 H new ATOM 0 HG2 GLU A 103 6.212 32.181 -20.507 1.00 1.00 H new ATOM 0 HG3 GLU A 103 5.692 33.732 -19.877 1.00 1.00 H new ATOM 1561 N ALA A 104 7.798 35.253 -18.066 1.00 1.00 N ATOM 1562 CA ALA A 104 7.259 35.870 -16.863 1.00 1.00 C ATOM 1563 C ALA A 104 5.748 35.696 -16.773 1.00 1.00 C ATOM 1564 O ALA A 104 5.170 35.817 -15.696 1.00 1.00 O ATOM 1565 CB ALA A 104 7.635 37.345 -16.798 1.00 1.00 C ATOM 0 H ALA A 104 8.187 35.908 -18.744 1.00 1.00 H new ATOM 0 HA ALA A 104 7.702 35.362 -16.006 1.00 1.00 H new ATOM 0 HB1 ALA A 104 7.222 37.786 -15.891 1.00 1.00 H new ATOM 0 HB2 ALA A 104 8.720 37.444 -16.788 1.00 1.00 H new ATOM 0 HB3 ALA A 104 7.232 37.862 -17.669 1.00 1.00 H new ATOM 1571 N ALA A 105 5.107 35.498 -17.917 1.00 1.00 N ATOM 1572 CA ALA A 105 3.674 35.233 -17.950 1.00 1.00 C ATOM 1573 C ALA A 105 3.338 34.012 -17.106 1.00 1.00 C ATOM 1574 O ALA A 105 2.332 33.983 -16.397 1.00 1.00 O ATOM 1575 CB ALA A 105 3.208 35.014 -19.379 1.00 1.00 C ATOM 0 H ALA A 105 5.555 35.516 -18.833 1.00 1.00 H new ATOM 0 HA ALA A 105 3.158 36.100 -17.538 1.00 1.00 H new ATOM 0 HB1 ALA A 105 2.136 34.817 -19.386 1.00 1.00 H new ATOM 0 HB2 ALA A 105 3.417 35.905 -19.971 1.00 1.00 H new ATOM 0 HB3 ALA A 105 3.736 34.162 -19.807 1.00 1.00 H new ATOM 1581 N ARG A 106 4.231 33.030 -17.167 1.00 1.00 N ATOM 1582 CA ARG A 106 4.043 31.751 -16.492 1.00 1.00 C ATOM 1583 C ARG A 106 4.747 31.739 -15.146 1.00 1.00 C ATOM 1584 O ARG A 106 4.185 31.312 -14.145 1.00 1.00 O ATOM 1585 CB ARG A 106 4.609 30.622 -17.353 1.00 1.00 C ATOM 1586 CG ARG A 106 4.632 30.961 -18.833 1.00 1.00 C ATOM 1587 CD ARG A 106 5.232 29.846 -19.669 1.00 1.00 C ATOM 1588 NE ARG A 106 5.302 30.209 -21.084 1.00 1.00 N ATOM 1589 CZ ARG A 106 5.997 29.538 -22.000 1.00 1.00 C ATOM 1590 NH1 ARG A 106 6.607 28.400 -21.681 1.00 1.00 N ATOM 1591 NH2 ARG A 106 6.065 30.008 -23.241 1.00 1.00 N ATOM 0 H ARG A 106 5.106 33.099 -17.686 1.00 1.00 H new ATOM 0 HA ARG A 106 2.974 31.606 -16.336 1.00 1.00 H new ATOM 0 HB2 ARG A 106 5.622 30.393 -17.022 1.00 1.00 H new ATOM 0 HB3 ARG A 106 4.013 29.722 -17.201 1.00 1.00 H new ATOM 0 HG2 ARG A 106 3.616 31.161 -19.174 1.00 1.00 H new ATOM 0 HG3 ARG A 106 5.205 31.875 -18.985 1.00 1.00 H new ATOM 0 HD2 ARG A 106 6.232 29.614 -19.303 1.00 1.00 H new ATOM 0 HD3 ARG A 106 4.633 28.942 -19.554 1.00 1.00 H new ATOM 0 HE ARG A 106 4.783 31.032 -21.390 1.00 1.00 H new ATOM 0 HH11 ARG A 106 6.544 28.037 -20.730 1.00 1.00 H new ATOM 0 HH12 ARG A 106 7.138 27.891 -22.387 1.00 1.00 H new ATOM 0 HH21 ARG A 106 5.587 30.876 -23.485 1.00 1.00 H new ATOM 0 HH22 ARG A 106 6.595 29.501 -23.950 1.00 1.00 H new ATOM 1605 N VAL A 107 5.981 32.222 -15.125 1.00 1.00 N ATOM 1606 CA VAL A 107 6.769 32.203 -13.909 1.00 1.00 C ATOM 1607 C VAL A 107 6.363 33.348 -12.985 1.00 1.00 C ATOM 1608 O VAL A 107 6.321 34.516 -13.383 1.00 1.00 O ATOM 1609 CB VAL A 107 8.281 32.280 -14.225 1.00 1.00 C ATOM 1610 CG1 VAL A 107 8.661 33.644 -14.747 1.00 1.00 C ATOM 1611 CG2 VAL A 107 9.108 31.917 -13.010 1.00 1.00 C ATOM 0 H VAL A 107 6.453 32.629 -15.933 1.00 1.00 H new ATOM 0 HA VAL A 107 6.574 31.259 -13.400 1.00 1.00 H new ATOM 0 HB VAL A 107 8.494 31.552 -15.008 1.00 1.00 H new ATOM 0 HG11 VAL A 107 9.730 33.667 -14.960 1.00 1.00 H new ATOM 0 HG12 VAL A 107 8.104 33.852 -15.661 1.00 1.00 H new ATOM 0 HG13 VAL A 107 8.424 34.399 -13.998 1.00 1.00 H new ATOM 0 HG21 VAL A 107 10.167 31.979 -13.259 1.00 1.00 H new ATOM 0 HG22 VAL A 107 8.885 32.609 -12.198 1.00 1.00 H new ATOM 0 HG23 VAL A 107 8.868 30.901 -12.697 1.00 1.00 H new ATOM 1621 N ARG A 108 6.007 33.006 -11.763 1.00 1.00 N ATOM 1622 CA ARG A 108 5.585 33.995 -10.793 1.00 1.00 C ATOM 1623 C ARG A 108 6.147 33.635 -9.432 1.00 1.00 C ATOM 1624 O ARG A 108 6.308 32.465 -9.104 1.00 1.00 O ATOM 1625 CB ARG A 108 4.053 34.073 -10.706 1.00 1.00 C ATOM 1626 CG ARG A 108 3.342 34.195 -12.050 1.00 1.00 C ATOM 1627 CD ARG A 108 3.467 35.590 -12.638 1.00 1.00 C ATOM 1628 NE ARG A 108 2.527 36.537 -12.029 1.00 1.00 N ATOM 1629 CZ ARG A 108 2.643 37.868 -12.102 1.00 1.00 C ATOM 1630 NH1 ARG A 108 3.709 38.424 -12.663 1.00 1.00 N ATOM 1631 NH2 ARG A 108 1.694 38.647 -11.599 1.00 1.00 N ATOM 0 H ARG A 108 6.002 32.046 -11.418 1.00 1.00 H new ATOM 0 HA ARG A 108 5.960 34.968 -11.111 1.00 1.00 H new ATOM 0 HB2 ARG A 108 3.686 33.182 -10.196 1.00 1.00 H new ATOM 0 HB3 ARG A 108 3.781 34.929 -10.088 1.00 1.00 H new ATOM 0 HG2 ARG A 108 3.760 33.469 -12.748 1.00 1.00 H new ATOM 0 HG3 ARG A 108 2.288 33.948 -11.926 1.00 1.00 H new ATOM 0 HD2 ARG A 108 4.486 35.951 -12.497 1.00 1.00 H new ATOM 0 HD3 ARG A 108 3.290 35.546 -13.713 1.00 1.00 H new ATOM 0 HE ARG A 108 1.732 36.156 -11.516 1.00 1.00 H new ATOM 0 HH11 ARG A 108 4.450 37.836 -13.044 1.00 1.00 H new ATOM 0 HH12 ARG A 108 3.787 39.440 -12.713 1.00 1.00 H new ATOM 0 HH21 ARG A 108 0.875 38.231 -11.156 1.00 1.00 H new ATOM 0 HH22 ARG A 108 1.784 39.661 -11.655 1.00 1.00 H new ATOM 1645 N MET A 109 6.456 34.647 -8.657 1.00 1.00 N ATOM 1646 CA MET A 109 7.020 34.453 -7.330 1.00 1.00 C ATOM 1647 C MET A 109 5.926 34.086 -6.338 1.00 1.00 C ATOM 1648 O MET A 109 4.859 34.697 -6.345 1.00 1.00 O ATOM 1649 CB MET A 109 7.736 35.720 -6.881 1.00 1.00 C ATOM 1650 CG MET A 109 8.873 36.122 -7.801 1.00 1.00 C ATOM 1651 SD MET A 109 10.280 35.016 -7.662 1.00 1.00 S ATOM 1652 CE MET A 109 10.670 35.249 -5.932 1.00 1.00 C ATOM 0 H MET A 109 6.327 35.624 -8.920 1.00 1.00 H new ATOM 0 HA MET A 109 7.739 33.635 -7.369 1.00 1.00 H new ATOM 0 HB2 MET A 109 7.016 36.536 -6.826 1.00 1.00 H new ATOM 0 HB3 MET A 109 8.127 35.571 -5.874 1.00 1.00 H new ATOM 0 HG2 MET A 109 8.519 36.129 -8.832 1.00 1.00 H new ATOM 0 HG3 MET A 109 9.187 37.139 -7.565 1.00 1.00 H new ATOM 0 HE1 MET A 109 11.742 35.408 -5.819 1.00 1.00 H new ATOM 0 HE2 MET A 109 10.132 36.117 -5.552 1.00 1.00 H new ATOM 0 HE3 MET A 109 10.373 34.364 -5.370 1.00 1.00 H new ATOM 1662 N LEU A 110 6.201 33.124 -5.463 1.00 1.00 N ATOM 1663 CA LEU A 110 5.229 32.678 -4.458 1.00 1.00 C ATOM 1664 C LEU A 110 4.752 33.845 -3.591 1.00 1.00 C ATOM 1665 O LEU A 110 3.556 34.096 -3.468 1.00 1.00 O ATOM 1666 CB LEU A 110 5.865 31.574 -3.585 1.00 1.00 C ATOM 1667 CG LEU A 110 4.942 30.855 -2.577 1.00 1.00 C ATOM 1668 CD1 LEU A 110 4.804 31.653 -1.289 1.00 1.00 C ATOM 1669 CD2 LEU A 110 3.572 30.587 -3.191 1.00 1.00 C ATOM 0 H LEU A 110 7.094 32.632 -5.426 1.00 1.00 H new ATOM 0 HA LEU A 110 4.355 32.275 -4.970 1.00 1.00 H new ATOM 0 HB2 LEU A 110 6.292 30.822 -4.249 1.00 1.00 H new ATOM 0 HB3 LEU A 110 6.692 32.016 -3.030 1.00 1.00 H new ATOM 0 HG LEU A 110 5.402 29.898 -2.332 1.00 1.00 H new ATOM 0 HD11 LEU A 110 4.148 31.121 -0.600 1.00 1.00 H new ATOM 0 HD12 LEU A 110 5.786 31.779 -0.832 1.00 1.00 H new ATOM 0 HD13 LEU A 110 4.379 32.632 -1.511 1.00 1.00 H new ATOM 0 HD21 LEU A 110 2.940 30.080 -2.462 1.00 1.00 H new ATOM 0 HD22 LEU A 110 3.110 31.532 -3.477 1.00 1.00 H new ATOM 0 HD23 LEU A 110 3.686 29.957 -4.073 1.00 1.00 H new ATOM 1681 N ARG A 111 5.700 34.621 -3.091 1.00 1.00 N ATOM 1682 CA ARG A 111 5.396 35.745 -2.211 1.00 1.00 C ATOM 1683 C ARG A 111 4.704 36.850 -2.988 1.00 1.00 C ATOM 1684 O ARG A 111 3.986 37.665 -2.428 1.00 1.00 O ATOM 1685 CB ARG A 111 6.689 36.284 -1.609 1.00 1.00 C ATOM 1686 CG ARG A 111 6.503 37.386 -0.583 1.00 1.00 C ATOM 1687 CD ARG A 111 7.822 38.087 -0.313 1.00 1.00 C ATOM 1688 NE ARG A 111 7.717 39.093 0.736 1.00 1.00 N ATOM 1689 CZ ARG A 111 8.740 39.836 1.155 1.00 1.00 C ATOM 1690 NH1 ARG A 111 9.940 39.705 0.595 1.00 1.00 N ATOM 1691 NH2 ARG A 111 8.562 40.706 2.135 1.00 1.00 N ATOM 0 H ARG A 111 6.694 34.494 -3.280 1.00 1.00 H new ATOM 0 HA ARG A 111 4.734 35.401 -1.417 1.00 1.00 H new ATOM 0 HB2 ARG A 111 7.227 35.459 -1.142 1.00 1.00 H new ATOM 0 HB3 ARG A 111 7.319 36.660 -2.415 1.00 1.00 H new ATOM 0 HG2 ARG A 111 5.768 38.106 -0.943 1.00 1.00 H new ATOM 0 HG3 ARG A 111 6.111 36.966 0.343 1.00 1.00 H new ATOM 0 HD2 ARG A 111 8.571 37.348 -0.029 1.00 1.00 H new ATOM 0 HD3 ARG A 111 8.173 38.559 -1.231 1.00 1.00 H new ATOM 0 HE ARG A 111 6.807 39.236 1.175 1.00 1.00 H new ATOM 0 HH11 ARG A 111 10.080 39.033 -0.159 1.00 1.00 H new ATOM 0 HH12 ARG A 111 10.720 40.277 0.920 1.00 1.00 H new ATOM 0 HH21 ARG A 111 7.644 40.806 2.567 1.00 1.00 H new ATOM 0 HH22 ARG A 111 9.343 41.277 2.458 1.00 1.00 H new ATOM 1705 N SER A 112 4.875 36.821 -4.296 1.00 1.00 N ATOM 1706 CA SER A 112 4.313 37.839 -5.153 1.00 1.00 C ATOM 1707 C SER A 112 2.811 37.628 -5.338 1.00 1.00 C ATOM 1708 O SER A 112 2.145 38.435 -5.990 1.00 1.00 O ATOM 1709 CB SER A 112 5.042 37.850 -6.498 1.00 1.00 C ATOM 1710 OG SER A 112 4.559 38.872 -7.350 1.00 1.00 O ATOM 0 H SER A 112 5.402 36.099 -4.787 1.00 1.00 H new ATOM 0 HA SER A 112 4.450 38.811 -4.680 1.00 1.00 H new ATOM 0 HB2 SER A 112 6.110 37.990 -6.331 1.00 1.00 H new ATOM 0 HB3 SER A 112 4.920 36.883 -6.985 1.00 1.00 H new ATOM 0 HG SER A 112 3.608 39.026 -7.170 1.00 1.00 H new ATOM 1716 N PHE A 113 2.274 36.528 -4.808 1.00 1.00 N ATOM 1717 CA PHE A 113 0.840 36.295 -4.847 1.00 1.00 C ATOM 1718 C PHE A 113 0.179 36.869 -3.601 1.00 1.00 C ATOM 1719 O PHE A 113 -1.009 37.187 -3.612 1.00 1.00 O ATOM 1720 CB PHE A 113 0.543 34.794 -4.927 1.00 1.00 C ATOM 1721 CG PHE A 113 0.923 34.151 -6.229 1.00 1.00 C ATOM 1722 CD1 PHE A 113 0.093 34.251 -7.331 1.00 1.00 C ATOM 1723 CD2 PHE A 113 2.104 33.439 -6.347 1.00 1.00 C ATOM 1724 CE1 PHE A 113 0.435 33.652 -8.530 1.00 1.00 C ATOM 1725 CE2 PHE A 113 2.453 32.840 -7.540 1.00 1.00 C ATOM 1726 CZ PHE A 113 1.618 32.945 -8.634 1.00 1.00 C ATOM 0 H PHE A 113 2.811 35.792 -4.350 1.00 1.00 H new ATOM 0 HA PHE A 113 0.439 36.789 -5.732 1.00 1.00 H new ATOM 0 HB2 PHE A 113 1.072 34.289 -4.119 1.00 1.00 H new ATOM 0 HB3 PHE A 113 -0.522 34.638 -4.757 1.00 1.00 H new ATOM 0 HD1 PHE A 113 -0.832 34.803 -7.254 1.00 1.00 H new ATOM 0 HD2 PHE A 113 2.761 33.351 -5.494 1.00 1.00 H new ATOM 0 HE1 PHE A 113 -0.221 33.737 -9.383 1.00 1.00 H new ATOM 0 HE2 PHE A 113 3.379 32.289 -7.618 1.00 1.00 H new ATOM 0 HZ PHE A 113 1.888 32.476 -9.569 1.00 1.00 H new ATOM 1736 N ASP A 114 0.972 37.024 -2.547 1.00 1.00 N ATOM 1737 CA ASP A 114 0.477 37.517 -1.266 1.00 1.00 C ATOM 1738 C ASP A 114 -0.095 38.921 -1.426 1.00 1.00 C ATOM 1739 O ASP A 114 0.607 39.843 -1.844 1.00 1.00 O ATOM 1740 CB ASP A 114 1.615 37.511 -0.235 1.00 1.00 C ATOM 1741 CG ASP A 114 1.170 37.864 1.178 1.00 1.00 C ATOM 1742 OD1 ASP A 114 0.086 38.452 1.348 1.00 1.00 O ATOM 1743 OD2 ASP A 114 1.912 37.548 2.128 1.00 1.00 O ATOM 0 H ASP A 114 1.970 36.813 -2.555 1.00 1.00 H new ATOM 0 HA ASP A 114 -0.320 36.862 -0.914 1.00 1.00 H new ATOM 0 HB2 ASP A 114 2.077 36.524 -0.224 1.00 1.00 H new ATOM 0 HB3 ASP A 114 2.382 38.218 -0.551 1.00 1.00 H new ATOM 2056 N GLU A 136 7.894 26.645 10.141 1.00 1.00 N ATOM 2057 CA GLU A 136 6.546 27.147 10.356 1.00 1.00 C ATOM 2058 C GLU A 136 6.434 28.578 9.827 1.00 1.00 C ATOM 2059 O GLU A 136 5.344 29.051 9.499 1.00 1.00 O ATOM 2060 CB GLU A 136 6.142 27.038 11.824 1.00 1.00 C ATOM 2061 CG GLU A 136 6.011 25.592 12.275 1.00 1.00 C ATOM 2062 CD GLU A 136 4.660 25.268 12.887 1.00 1.00 C ATOM 2063 OE1 GLU A 136 3.659 25.201 12.135 1.00 1.00 O ATOM 2064 OE2 GLU A 136 4.600 25.053 14.119 1.00 1.00 O ATOM 0 HA GLU A 136 5.844 26.528 9.798 1.00 1.00 H new ATOM 0 HB2 GLU A 136 6.883 27.544 12.442 1.00 1.00 H new ATOM 0 HB3 GLU A 136 5.194 27.553 11.978 1.00 1.00 H new ATOM 0 HG2 GLU A 136 6.180 24.937 11.421 1.00 1.00 H new ATOM 0 HG3 GLU A 136 6.792 25.375 13.003 1.00 1.00 H new ATOM 2071 N GLU A 137 7.583 29.247 9.711 1.00 1.00 N ATOM 2072 CA GLU A 137 7.653 30.582 9.116 1.00 1.00 C ATOM 2073 C GLU A 137 7.335 30.468 7.635 1.00 1.00 C ATOM 2074 O GLU A 137 6.573 31.260 7.078 1.00 1.00 O ATOM 2075 CB GLU A 137 9.047 31.190 9.325 1.00 1.00 C ATOM 2076 CG GLU A 137 9.268 32.511 8.610 1.00 1.00 C ATOM 2077 CD GLU A 137 10.593 33.162 8.963 1.00 1.00 C ATOM 2078 OE1 GLU A 137 11.221 32.743 9.962 1.00 1.00 O ATOM 2079 OE2 GLU A 137 11.029 34.080 8.239 1.00 1.00 O ATOM 0 H GLU A 137 8.483 28.883 10.024 1.00 1.00 H new ATOM 0 HA GLU A 137 6.929 31.240 9.597 1.00 1.00 H new ATOM 0 HB2 GLU A 137 9.210 31.337 10.393 1.00 1.00 H new ATOM 0 HB3 GLU A 137 9.797 30.476 8.984 1.00 1.00 H new ATOM 0 HG2 GLU A 137 9.226 32.347 7.533 1.00 1.00 H new ATOM 0 HG3 GLU A 137 8.456 33.194 8.860 1.00 1.00 H new ATOM 2086 N VAL A 138 7.913 29.437 7.024 1.00 1.00 N ATOM 2087 CA VAL A 138 7.676 29.100 5.626 1.00 1.00 C ATOM 2088 C VAL A 138 6.188 28.838 5.408 1.00 1.00 C ATOM 2089 O VAL A 138 5.583 29.304 4.442 1.00 1.00 O ATOM 2090 CB VAL A 138 8.480 27.835 5.252 1.00 1.00 C ATOM 2091 CG1 VAL A 138 8.132 27.343 3.859 1.00 1.00 C ATOM 2092 CG2 VAL A 138 9.977 28.083 5.386 1.00 1.00 C ATOM 0 H VAL A 138 8.565 28.807 7.491 1.00 1.00 H new ATOM 0 HA VAL A 138 7.995 29.931 4.997 1.00 1.00 H new ATOM 0 HB VAL A 138 8.202 27.049 5.954 1.00 1.00 H new ATOM 0 HG11 VAL A 138 8.717 26.452 3.631 1.00 1.00 H new ATOM 0 HG12 VAL A 138 7.070 27.101 3.813 1.00 1.00 H new ATOM 0 HG13 VAL A 138 8.359 28.122 3.131 1.00 1.00 H new ATOM 0 HG21 VAL A 138 10.521 27.178 5.117 1.00 1.00 H new ATOM 0 HG22 VAL A 138 10.272 28.895 4.721 1.00 1.00 H new ATOM 0 HG23 VAL A 138 10.210 28.354 6.416 1.00 1.00 H new ATOM 2102 N PHE A 139 5.621 28.087 6.341 1.00 1.00 N ATOM 2103 CA PHE A 139 4.196 27.780 6.335 1.00 1.00 C ATOM 2104 C PHE A 139 3.378 29.068 6.280 1.00 1.00 C ATOM 2105 O PHE A 139 2.418 29.174 5.511 1.00 1.00 O ATOM 2106 CB PHE A 139 3.810 26.948 7.568 1.00 1.00 C ATOM 2107 CG PHE A 139 2.326 26.733 7.726 1.00 1.00 C ATOM 2108 CD1 PHE A 139 1.547 27.649 8.416 1.00 1.00 C ATOM 2109 CD2 PHE A 139 1.714 25.614 7.189 1.00 1.00 C ATOM 2110 CE1 PHE A 139 0.189 27.454 8.567 1.00 1.00 C ATOM 2111 CE2 PHE A 139 0.354 25.412 7.339 1.00 1.00 C ATOM 2112 CZ PHE A 139 -0.408 26.333 8.026 1.00 1.00 C ATOM 0 H PHE A 139 6.132 27.674 7.121 1.00 1.00 H new ATOM 0 HA PHE A 139 3.976 27.188 5.446 1.00 1.00 H new ATOM 0 HB2 PHE A 139 4.302 25.977 7.507 1.00 1.00 H new ATOM 0 HB3 PHE A 139 4.192 27.443 8.461 1.00 1.00 H new ATOM 0 HD1 PHE A 139 2.009 28.528 8.841 1.00 1.00 H new ATOM 0 HD2 PHE A 139 2.305 24.891 6.647 1.00 1.00 H new ATOM 0 HE1 PHE A 139 -0.405 28.177 9.107 1.00 1.00 H new ATOM 0 HE2 PHE A 139 -0.111 24.533 6.918 1.00 1.00 H new ATOM 0 HZ PHE A 139 -1.471 26.178 8.141 1.00 1.00 H new ATOM 2122 N ALA A 140 3.793 30.051 7.074 1.00 1.00 N ATOM 2123 CA ALA A 140 3.117 31.340 7.124 1.00 1.00 C ATOM 2124 C ALA A 140 3.211 32.057 5.779 1.00 1.00 C ATOM 2125 O ALA A 140 2.242 32.676 5.337 1.00 1.00 O ATOM 2126 CB ALA A 140 3.706 32.209 8.225 1.00 1.00 C ATOM 0 H ALA A 140 4.599 29.977 7.694 1.00 1.00 H new ATOM 0 HA ALA A 140 2.065 31.161 7.345 1.00 1.00 H new ATOM 0 HB1 ALA A 140 3.189 33.168 8.247 1.00 1.00 H new ATOM 0 HB2 ALA A 140 3.586 31.709 9.186 1.00 1.00 H new ATOM 0 HB3 ALA A 140 4.766 32.373 8.031 1.00 1.00 H new ATOM 2132 N VAL A 141 4.389 32.007 5.158 1.00 1.00 N ATOM 2133 CA VAL A 141 4.595 32.618 3.846 1.00 1.00 C ATOM 2134 C VAL A 141 3.622 32.042 2.829 1.00 1.00 C ATOM 2135 O VAL A 141 2.844 32.764 2.206 1.00 1.00 O ATOM 2136 CB VAL A 141 6.021 32.371 3.301 1.00 1.00 C ATOM 2137 CG1 VAL A 141 6.244 33.143 2.012 1.00 1.00 C ATOM 2138 CG2 VAL A 141 7.094 32.703 4.322 1.00 1.00 C ATOM 0 H VAL A 141 5.215 31.549 5.543 1.00 1.00 H new ATOM 0 HA VAL A 141 4.437 33.688 3.984 1.00 1.00 H new ATOM 0 HB VAL A 141 6.103 31.305 3.089 1.00 1.00 H new ATOM 0 HG11 VAL A 141 7.253 32.955 1.645 1.00 1.00 H new ATOM 0 HG12 VAL A 141 5.520 32.819 1.264 1.00 1.00 H new ATOM 0 HG13 VAL A 141 6.119 34.209 2.200 1.00 1.00 H new ATOM 0 HG21 VAL A 141 8.077 32.513 3.892 1.00 1.00 H new ATOM 0 HG22 VAL A 141 7.017 33.754 4.602 1.00 1.00 H new ATOM 0 HG23 VAL A 141 6.959 32.081 5.207 1.00 1.00 H new ATOM 2148 N ILE A 142 3.671 30.732 2.684 1.00 1.00 N ATOM 2149 CA ILE A 142 2.847 30.026 1.723 1.00 1.00 C ATOM 2150 C ILE A 142 1.362 30.273 1.941 1.00 1.00 C ATOM 2151 O ILE A 142 0.652 30.639 1.008 1.00 1.00 O ATOM 2152 CB ILE A 142 3.137 28.521 1.783 1.00 1.00 C ATOM 2153 CG1 ILE A 142 4.528 28.250 1.217 1.00 1.00 C ATOM 2154 CG2 ILE A 142 2.078 27.735 1.030 1.00 1.00 C ATOM 2155 CD1 ILE A 142 5.285 27.200 1.985 1.00 1.00 C ATOM 0 H ILE A 142 4.284 30.127 3.230 1.00 1.00 H new ATOM 0 HA ILE A 142 3.102 30.413 0.737 1.00 1.00 H new ATOM 0 HB ILE A 142 3.108 28.193 2.822 1.00 1.00 H new ATOM 0 HG12 ILE A 142 4.435 27.935 0.178 1.00 1.00 H new ATOM 0 HG13 ILE A 142 5.101 29.177 1.219 1.00 1.00 H new ATOM 0 HG21 ILE A 142 2.306 26.671 1.087 1.00 1.00 H new ATOM 0 HG22 ILE A 142 1.101 27.921 1.476 1.00 1.00 H new ATOM 0 HG23 ILE A 142 2.066 28.048 -0.014 1.00 1.00 H new ATOM 0 HD11 ILE A 142 6.266 27.054 1.532 1.00 1.00 H new ATOM 0 HD12 ILE A 142 5.407 27.523 3.019 1.00 1.00 H new ATOM 0 HD13 ILE A 142 4.731 26.262 1.961 1.00 1.00 H new ATOM 2167 N GLU A 143 0.896 30.066 3.165 1.00 1.00 N ATOM 2168 CA GLU A 143 -0.521 30.255 3.477 1.00 1.00 C ATOM 2169 C GLU A 143 -0.967 31.673 3.111 1.00 1.00 C ATOM 2170 O GLU A 143 -2.117 31.892 2.735 1.00 1.00 O ATOM 2171 CB GLU A 143 -0.813 29.980 4.955 1.00 1.00 C ATOM 2172 CG GLU A 143 -0.434 31.122 5.875 1.00 1.00 C ATOM 2173 CD GLU A 143 -1.310 31.182 7.107 1.00 1.00 C ATOM 2174 OE1 GLU A 143 -2.517 30.883 6.989 1.00 1.00 O ATOM 2175 OE2 GLU A 143 -0.807 31.558 8.187 1.00 1.00 O ATOM 0 H GLU A 143 1.470 29.770 3.955 1.00 1.00 H new ATOM 0 HA GLU A 143 -1.086 29.538 2.881 1.00 1.00 H new ATOM 0 HB2 GLU A 143 -1.876 29.768 5.073 1.00 1.00 H new ATOM 0 HB3 GLU A 143 -0.274 29.084 5.262 1.00 1.00 H new ATOM 0 HG2 GLU A 143 0.607 31.012 6.177 1.00 1.00 H new ATOM 0 HG3 GLU A 143 -0.510 32.064 5.332 1.00 1.00 H new ATOM 2182 N SER A 144 -0.051 32.628 3.252 1.00 1.00 N ATOM 2183 CA SER A 144 -0.334 34.023 2.949 1.00 1.00 C ATOM 2184 C SER A 144 -0.410 34.233 1.441 1.00 1.00 C ATOM 2185 O SER A 144 -1.059 35.158 0.960 1.00 1.00 O ATOM 2186 CB SER A 144 0.738 34.924 3.562 1.00 1.00 C ATOM 2187 OG SER A 144 0.267 36.255 3.718 1.00 1.00 O ATOM 0 H SER A 144 0.900 32.456 3.577 1.00 1.00 H new ATOM 0 HA SER A 144 -1.299 34.287 3.382 1.00 1.00 H new ATOM 0 HB2 SER A 144 1.039 34.527 4.531 1.00 1.00 H new ATOM 0 HB3 SER A 144 1.624 34.922 2.927 1.00 1.00 H new ATOM 0 HG SER A 144 0.982 36.884 3.489 1.00 1.00 H new ATOM 2193 N ALA A 145 0.300 33.391 0.702 1.00 1.00 N ATOM 2194 CA ALA A 145 0.304 33.466 -0.749 1.00 1.00 C ATOM 2195 C ALA A 145 -0.804 32.646 -1.356 1.00 1.00 C ATOM 2196 O ALA A 145 -1.187 32.886 -2.495 1.00 1.00 O ATOM 2197 CB ALA A 145 1.618 33.001 -1.336 1.00 1.00 C ATOM 0 H ALA A 145 0.882 32.647 1.087 1.00 1.00 H new ATOM 0 HA ALA A 145 0.152 34.518 -0.991 1.00 1.00 H new ATOM 0 HB1 ALA A 145 1.577 33.074 -2.423 1.00 1.00 H new ATOM 0 HB2 ALA A 145 2.426 33.628 -0.961 1.00 1.00 H new ATOM 0 HB3 ALA A 145 1.799 31.965 -1.048 1.00 1.00 H new ATOM 2203 N LEU A 146 -1.312 31.656 -0.628 1.00 1.00 N ATOM 2204 CA LEU A 146 -2.376 30.809 -1.149 1.00 1.00 C ATOM 2205 C LEU A 146 -3.597 31.629 -1.611 1.00 1.00 C ATOM 2206 O LEU A 146 -4.188 31.298 -2.632 1.00 1.00 O ATOM 2207 CB LEU A 146 -2.787 29.751 -0.112 1.00 1.00 C ATOM 2208 CG LEU A 146 -1.672 28.788 0.312 1.00 1.00 C ATOM 2209 CD1 LEU A 146 -2.250 27.538 0.954 1.00 1.00 C ATOM 2210 CD2 LEU A 146 -0.808 28.417 -0.877 1.00 1.00 C ATOM 0 H LEU A 146 -1.006 31.423 0.317 1.00 1.00 H new ATOM 0 HA LEU A 146 -1.982 30.299 -2.028 1.00 1.00 H new ATOM 0 HB2 LEU A 146 -3.162 30.261 0.775 1.00 1.00 H new ATOM 0 HB3 LEU A 146 -3.614 29.168 -0.518 1.00 1.00 H new ATOM 0 HG LEU A 146 -1.051 29.296 1.050 1.00 1.00 H new ATOM 0 HD11 LEU A 146 -1.439 26.871 1.246 1.00 1.00 H new ATOM 0 HD12 LEU A 146 -2.827 27.816 1.836 1.00 1.00 H new ATOM 0 HD13 LEU A 146 -2.899 27.030 0.241 1.00 1.00 H new ATOM 0 HD21 LEU A 146 -0.022 27.733 -0.556 1.00 1.00 H new ATOM 0 HD22 LEU A 146 -1.422 27.933 -1.636 1.00 1.00 H new ATOM 0 HD23 LEU A 146 -0.357 29.317 -1.294 1.00 1.00 H new ATOM 2222 N PRO A 147 -3.978 32.735 -0.908 1.00 1.00 N ATOM 2223 CA PRO A 147 -5.099 33.599 -1.339 1.00 1.00 C ATOM 2224 C PRO A 147 -4.767 34.371 -2.618 1.00 1.00 C ATOM 2225 O PRO A 147 -5.646 34.926 -3.277 1.00 1.00 O ATOM 2226 CB PRO A 147 -5.274 34.574 -0.171 1.00 1.00 C ATOM 2227 CG PRO A 147 -3.949 34.604 0.501 1.00 1.00 C ATOM 2228 CD PRO A 147 -3.382 33.230 0.351 1.00 1.00 C ATOM 0 HA PRO A 147 -5.994 33.020 -1.566 1.00 1.00 H new ATOM 0 HB2 PRO A 147 -5.562 35.565 -0.523 1.00 1.00 H new ATOM 0 HB3 PRO A 147 -6.056 34.238 0.511 1.00 1.00 H new ATOM 0 HG2 PRO A 147 -3.296 35.348 0.044 1.00 1.00 H new ATOM 0 HG3 PRO A 147 -4.050 34.872 1.553 1.00 1.00 H new ATOM 0 HD2 PRO A 147 -2.294 33.251 0.297 1.00 1.00 H new ATOM 0 HD3 PRO A 147 -3.647 32.594 1.196 1.00 1.00 H new ATOM 2236 N GLY A 148 -3.493 34.349 -2.982 1.00 1.00 N ATOM 2237 CA GLY A 148 -3.052 35.021 -4.184 1.00 1.00 C ATOM 2238 C GLY A 148 -2.783 34.025 -5.284 1.00 1.00 C ATOM 2239 O GLY A 148 -3.083 34.266 -6.451 1.00 1.00 O ATOM 0 H GLY A 148 -2.754 33.875 -2.462 1.00 1.00 H new ATOM 0 HA2 GLY A 148 -3.812 35.732 -4.508 1.00 1.00 H new ATOM 0 HA3 GLY A 148 -2.148 35.593 -3.976 1.00 1.00 H new ATOM 2243 N LEU A 149 -2.307 32.857 -4.878 1.00 1.00 N ATOM 2244 CA LEU A 149 -2.014 31.777 -5.798 1.00 1.00 C ATOM 2245 C LEU A 149 -3.334 31.178 -6.271 1.00 1.00 C ATOM 2246 O LEU A 149 -3.503 30.860 -7.447 1.00 1.00 O ATOM 2247 CB LEU A 149 -1.132 30.720 -5.101 1.00 1.00 C ATOM 2248 CG LEU A 149 0.113 30.295 -5.874 1.00 1.00 C ATOM 2249 CD1 LEU A 149 0.703 29.024 -5.288 1.00 1.00 C ATOM 2250 CD2 LEU A 149 -0.218 30.088 -7.330 1.00 1.00 C ATOM 0 H LEU A 149 -2.114 32.635 -3.901 1.00 1.00 H new ATOM 0 HA LEU A 149 -1.462 32.147 -6.662 1.00 1.00 H new ATOM 0 HB2 LEU A 149 -0.822 31.112 -4.132 1.00 1.00 H new ATOM 0 HB3 LEU A 149 -1.739 29.835 -4.908 1.00 1.00 H new ATOM 0 HG LEU A 149 0.853 31.091 -5.790 1.00 1.00 H new ATOM 0 HD11 LEU A 149 1.590 28.739 -5.855 1.00 1.00 H new ATOM 0 HD12 LEU A 149 0.977 29.196 -4.247 1.00 1.00 H new ATOM 0 HD13 LEU A 149 -0.034 28.223 -5.341 1.00 1.00 H new ATOM 0 HD21 LEU A 149 0.680 29.785 -7.868 1.00 1.00 H new ATOM 0 HD22 LEU A 149 -0.976 29.311 -7.424 1.00 1.00 H new ATOM 0 HD23 LEU A 149 -0.598 31.018 -7.753 1.00 1.00 H new ATOM 2262 N HIS A 150 -4.274 31.068 -5.333 1.00 1.00 N ATOM 2263 CA HIS A 150 -5.630 30.608 -5.635 1.00 1.00 C ATOM 2264 C HIS A 150 -6.239 31.437 -6.738 1.00 1.00 C ATOM 2265 O HIS A 150 -6.617 30.925 -7.783 1.00 1.00 O ATOM 2266 CB HIS A 150 -6.533 30.767 -4.426 1.00 1.00 C ATOM 2267 CG HIS A 150 -7.064 29.490 -3.898 1.00 1.00 C ATOM 2268 ND1 HIS A 150 -8.099 28.791 -4.479 1.00 1.00 N ATOM 2269 CD2 HIS A 150 -6.702 28.803 -2.808 1.00 1.00 C ATOM 2270 CE1 HIS A 150 -8.353 27.720 -3.751 1.00 1.00 C ATOM 2271 NE2 HIS A 150 -7.516 27.700 -2.722 1.00 1.00 N ATOM 0 H HIS A 150 -4.120 31.293 -4.350 1.00 1.00 H new ATOM 0 HA HIS A 150 -5.552 29.561 -5.929 1.00 1.00 H new ATOM 0 HB2 HIS A 150 -5.978 31.272 -3.635 1.00 1.00 H new ATOM 0 HB3 HIS A 150 -7.369 31.414 -4.692 1.00 1.00 H new ATOM 0 HD1 HIS A 150 -8.589 29.058 -5.333 1.00 1.00 H new ATOM 0 HD2 HIS A 150 -5.913 29.068 -2.120 1.00 1.00 H new ATOM 0 HE1 HIS A 150 -9.115 26.983 -3.958 1.00 1.00 H new ATOM 2280 N ASP A 151 -6.246 32.740 -6.511 1.00 1.00 N ATOM 2281 CA ASP A 151 -6.883 33.685 -7.416 1.00 1.00 C ATOM 2282 C ASP A 151 -6.328 33.558 -8.820 1.00 1.00 C ATOM 2283 O ASP A 151 -7.073 33.553 -9.797 1.00 1.00 O ATOM 2284 CB ASP A 151 -6.658 35.107 -6.904 1.00 1.00 C ATOM 2285 CG ASP A 151 -7.538 36.129 -7.592 1.00 1.00 C ATOM 2286 OD1 ASP A 151 -8.692 36.317 -7.151 1.00 1.00 O ATOM 2287 OD2 ASP A 151 -7.090 36.752 -8.570 1.00 1.00 O ATOM 0 H ASP A 151 -5.811 33.173 -5.696 1.00 1.00 H new ATOM 0 HA ASP A 151 -7.950 33.464 -7.450 1.00 1.00 H new ATOM 0 HB2 ASP A 151 -6.848 35.135 -5.831 1.00 1.00 H new ATOM 0 HB3 ASP A 151 -5.613 35.379 -7.050 1.00 1.00 H new ATOM 2292 N TRP A 152 -5.017 33.412 -8.899 1.00 1.00 N ATOM 2293 CA TRP A 152 -4.334 33.287 -10.172 1.00 1.00 C ATOM 2294 C TRP A 152 -4.749 32.005 -10.879 1.00 1.00 C ATOM 2295 O TRP A 152 -5.223 32.046 -12.010 1.00 1.00 O ATOM 2296 CB TRP A 152 -2.823 33.308 -9.944 1.00 1.00 C ATOM 2297 CG TRP A 152 -2.018 33.479 -11.199 1.00 1.00 C ATOM 2298 CD1 TRP A 152 -1.396 34.616 -11.621 1.00 1.00 C ATOM 2299 CD2 TRP A 152 -1.757 32.486 -12.200 1.00 1.00 C ATOM 2300 NE1 TRP A 152 -0.752 34.389 -12.813 1.00 1.00 N ATOM 2301 CE2 TRP A 152 -0.961 33.090 -13.187 1.00 1.00 C ATOM 2302 CE3 TRP A 152 -2.110 31.140 -12.353 1.00 1.00 C ATOM 2303 CZ2 TRP A 152 -0.519 32.402 -14.309 1.00 1.00 C ATOM 2304 CZ3 TRP A 152 -1.673 30.459 -13.470 1.00 1.00 C ATOM 2305 CH2 TRP A 152 -0.880 31.089 -14.434 1.00 1.00 C ATOM 0 H TRP A 152 -4.400 33.377 -8.087 1.00 1.00 H new ATOM 0 HA TRP A 152 -4.611 34.127 -10.809 1.00 1.00 H new ATOM 0 HB2 TRP A 152 -2.581 34.118 -9.256 1.00 1.00 H new ATOM 0 HB3 TRP A 152 -2.526 32.378 -9.458 1.00 1.00 H new ATOM 0 HD1 TRP A 152 -1.408 35.559 -11.094 1.00 1.00 H new ATOM 0 HE1 TRP A 152 -0.207 35.076 -13.334 1.00 1.00 H new ATOM 0 HE3 TRP A 152 -2.715 30.643 -11.609 1.00 1.00 H new ATOM 0 HZ2 TRP A 152 0.089 32.887 -15.058 1.00 1.00 H new ATOM 0 HZ3 TRP A 152 -1.948 29.423 -13.602 1.00 1.00 H new ATOM 0 HH2 TRP A 152 -0.546 30.528 -15.294 1.00 1.00 H new ATOM 2316 N VAL A 153 -4.603 30.872 -10.205 1.00 1.00 N ATOM 2317 CA VAL A 153 -4.944 29.596 -10.818 1.00 1.00 C ATOM 2318 C VAL A 153 -6.433 29.561 -11.163 1.00 1.00 C ATOM 2319 O VAL A 153 -6.801 29.151 -12.261 1.00 1.00 O ATOM 2320 CB VAL A 153 -4.551 28.382 -9.928 1.00 1.00 C ATOM 2321 CG1 VAL A 153 -3.105 28.501 -9.476 1.00 1.00 C ATOM 2322 CG2 VAL A 153 -5.460 28.229 -8.717 1.00 1.00 C ATOM 0 H VAL A 153 -4.256 30.810 -9.248 1.00 1.00 H new ATOM 0 HA VAL A 153 -4.362 29.509 -11.735 1.00 1.00 H new ATOM 0 HB VAL A 153 -4.671 27.489 -10.542 1.00 1.00 H new ATOM 0 HG11 VAL A 153 -2.846 27.644 -8.854 1.00 1.00 H new ATOM 0 HG12 VAL A 153 -2.452 28.527 -10.348 1.00 1.00 H new ATOM 0 HG13 VAL A 153 -2.978 29.418 -8.901 1.00 1.00 H new ATOM 0 HG21 VAL A 153 -5.142 27.367 -8.130 1.00 1.00 H new ATOM 0 HG22 VAL A 153 -5.402 29.128 -8.103 1.00 1.00 H new ATOM 0 HG23 VAL A 153 -6.488 28.082 -9.050 1.00 1.00 H new ATOM 2332 N ASP A 154 -7.272 30.080 -10.259 1.00 1.00 N ATOM 2333 CA ASP A 154 -8.714 30.134 -10.476 1.00 1.00 C ATOM 2334 C ASP A 154 -9.045 30.960 -11.718 1.00 1.00 C ATOM 2335 O ASP A 154 -9.810 30.531 -12.578 1.00 1.00 O ATOM 2336 CB ASP A 154 -9.447 30.719 -9.252 1.00 1.00 C ATOM 2337 CG ASP A 154 -9.789 29.693 -8.175 1.00 1.00 C ATOM 2338 OD1 ASP A 154 -10.817 28.978 -8.303 1.00 1.00 O ATOM 2339 OD2 ASP A 154 -9.000 29.565 -7.216 1.00 1.00 O ATOM 0 H ASP A 154 -6.970 30.470 -9.366 1.00 1.00 H new ATOM 0 HA ASP A 154 -9.057 29.110 -10.626 1.00 1.00 H new ATOM 0 HB2 ASP A 154 -8.827 31.499 -8.810 1.00 1.00 H new ATOM 0 HB3 ASP A 154 -10.368 31.196 -9.588 1.00 1.00 H new ATOM 2344 N GLU A 155 -8.461 32.151 -11.790 1.00 1.00 N ATOM 2345 CA GLU A 155 -8.712 33.062 -12.906 1.00 1.00 C ATOM 2346 C GLU A 155 -8.220 32.449 -14.214 1.00 1.00 C ATOM 2347 O GLU A 155 -8.917 32.481 -15.225 1.00 1.00 O ATOM 2348 CB GLU A 155 -8.050 34.433 -12.687 1.00 1.00 C ATOM 2349 CG GLU A 155 -6.603 34.507 -13.156 1.00 1.00 C ATOM 2350 CD GLU A 155 -5.997 35.894 -13.067 1.00 1.00 C ATOM 2351 OE1 GLU A 155 -6.607 36.771 -12.410 1.00 1.00 O ATOM 2352 OE2 GLU A 155 -4.912 36.116 -13.637 1.00 1.00 O ATOM 0 H GLU A 155 -7.811 32.510 -11.091 1.00 1.00 H new ATOM 0 HA GLU A 155 -9.789 33.217 -12.962 1.00 1.00 H new ATOM 0 HB2 GLU A 155 -8.630 35.192 -13.212 1.00 1.00 H new ATOM 0 HB3 GLU A 155 -8.090 34.678 -11.626 1.00 1.00 H new ATOM 0 HG2 GLU A 155 -6.003 33.820 -12.559 1.00 1.00 H new ATOM 0 HG3 GLU A 155 -6.548 34.163 -14.189 1.00 1.00 H new ATOM 2359 N ARG A 156 -7.072 31.786 -14.147 1.00 1.00 N ATOM 2360 CA ARG A 156 -6.441 31.230 -15.331 1.00 1.00 C ATOM 2361 C ARG A 156 -7.161 29.987 -15.813 1.00 1.00 C ATOM 2362 O ARG A 156 -7.377 29.818 -17.007 1.00 1.00 O ATOM 2363 CB ARG A 156 -4.985 30.918 -15.052 1.00 1.00 C ATOM 2364 CG ARG A 156 -4.129 32.153 -14.837 1.00 1.00 C ATOM 2365 CD ARG A 156 -4.462 33.243 -15.831 1.00 1.00 C ATOM 2366 NE ARG A 156 -3.607 34.413 -15.655 1.00 1.00 N ATOM 2367 CZ ARG A 156 -2.458 34.604 -16.308 1.00 1.00 C ATOM 2368 NH1 ARG A 156 -2.011 33.687 -17.167 1.00 1.00 N ATOM 2369 NH2 ARG A 156 -1.746 35.702 -16.087 1.00 1.00 N ATOM 0 H ARG A 156 -6.560 31.621 -13.280 1.00 1.00 H new ATOM 0 HA ARG A 156 -6.501 31.977 -16.122 1.00 1.00 H new ATOM 0 HB2 ARG A 156 -4.921 30.284 -14.168 1.00 1.00 H new ATOM 0 HB3 ARG A 156 -4.579 30.345 -15.886 1.00 1.00 H new ATOM 0 HG2 ARG A 156 -4.277 32.527 -13.824 1.00 1.00 H new ATOM 0 HG3 ARG A 156 -3.076 31.887 -14.928 1.00 1.00 H new ATOM 0 HD2 ARG A 156 -4.349 32.858 -16.845 1.00 1.00 H new ATOM 0 HD3 ARG A 156 -5.506 33.534 -15.716 1.00 1.00 H new ATOM 0 HE ARG A 156 -3.906 35.129 -14.992 1.00 1.00 H new ATOM 0 HH11 ARG A 156 -2.547 32.835 -17.328 1.00 1.00 H new ATOM 0 HH12 ARG A 156 -1.133 33.838 -17.663 1.00 1.00 H new ATOM 0 HH21 ARG A 156 -2.077 36.398 -15.419 1.00 1.00 H new ATOM 0 HH22 ARG A 156 -0.868 35.849 -16.585 1.00 1.00 H new ATOM 2383 N LEU A 157 -7.547 29.125 -14.884 1.00 1.00 N ATOM 2384 CA LEU A 157 -8.244 27.897 -15.242 1.00 1.00 C ATOM 2385 C LEU A 157 -9.620 28.235 -15.797 1.00 1.00 C ATOM 2386 O LEU A 157 -10.194 27.483 -16.584 1.00 1.00 O ATOM 2387 CB LEU A 157 -8.325 26.924 -14.043 1.00 1.00 C ATOM 2388 CG LEU A 157 -9.203 27.334 -12.850 1.00 1.00 C ATOM 2389 CD1 LEU A 157 -10.677 27.049 -13.112 1.00 1.00 C ATOM 2390 CD2 LEU A 157 -8.741 26.605 -11.597 1.00 1.00 C ATOM 0 H LEU A 157 -7.391 29.251 -13.884 1.00 1.00 H new ATOM 0 HA LEU A 157 -7.679 27.382 -16.018 1.00 1.00 H new ATOM 0 HB2 LEU A 157 -8.688 25.965 -14.413 1.00 1.00 H new ATOM 0 HB3 LEU A 157 -7.312 26.761 -13.674 1.00 1.00 H new ATOM 0 HG LEU A 157 -9.097 28.409 -12.706 1.00 1.00 H new ATOM 0 HD11 LEU A 157 -11.266 27.352 -12.246 1.00 1.00 H new ATOM 0 HD12 LEU A 157 -11.006 27.608 -13.988 1.00 1.00 H new ATOM 0 HD13 LEU A 157 -10.815 25.982 -13.289 1.00 1.00 H new ATOM 0 HD21 LEU A 157 -9.366 26.899 -10.754 1.00 1.00 H new ATOM 0 HD22 LEU A 157 -8.822 25.529 -11.751 1.00 1.00 H new ATOM 0 HD23 LEU A 157 -7.703 26.864 -11.387 1.00 1.00 H new