USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 753 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 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 94 TYR OH : rot 151:sc=-0.000402 USER MOD Set 2.1: A 35 SER OG : rot 77:sc= 0.0899 USER MOD Set 2.2: A 37 MET CE :methyl 179:sc= -0.0307 (180deg=-0.0367) USER MOD Set 3.1: A 22 MET CE :methyl -177:sc= -3.77! (180deg=-3.92) USER MOD Set 3.2: A 104 ASN : amide:sc= -0.99 K(o=-4.8,f=-11!) USER MOD Set 4.1: A 18 HIS : no HD1:sc= -0.415 X(o=-0.42,f=-0.72) USER MOD Set 4.2: A 81 TYR OH : rot 30:sc= 0 USER MOD Single : A 14 CYS SG : rot 60:sc= -8.91! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -144:sc= 0.631 (180deg=-0.793!) USER MOD Single : A 34 SER OG : rot 100:sc= 1.28 USER MOD Single : A 36 LYS NZ :NH3+ 172:sc= 1.15 (180deg=1.08) USER MOD Single : A 38 TYR OH : rot 40:sc= 0.428 USER MOD Single : A 39 THR OG1 : rot 13:sc= -0.229 USER MOD Single : A 40 SER OG : rot 180:sc= -1.36! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 1.1 K(o=1.1,f=-0.05) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0694 USER MOD Single : A 73 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.85) USER MOD Single : A 76 CYS SG : rot 80:sc= -0.786 USER MOD Single : A 80 HIS : no HE2:sc= -0.212 K(o=-0.21,f=-1.9) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.526 F(o=-1.1,f=-0.53) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0.116 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 56:sc= 0.682 USER MOD Single : A 101 ASN : amide:sc= 0.992 K(o=0.99,f=-9.9!) USER MOD Single : A 107 MET CE :methyl -164:sc= 0 (180deg=-0.132) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= 1.23 K(o=1.2,f=-0.0057) USER MOD ----------------------------------------------------------------- ATOM 97 N GLU A 7 -6.128 13.901 4.610 1.00 0.00 N ATOM 98 CA GLU A 7 -5.910 12.664 5.358 1.00 0.00 C ATOM 99 C GLU A 7 -5.117 11.681 4.517 1.00 0.00 C ATOM 100 O GLU A 7 -4.589 10.693 5.024 1.00 0.00 O ATOM 101 CB GLU A 7 -7.236 12.030 5.786 1.00 0.00 C ATOM 102 CG GLU A 7 -8.294 13.049 6.148 1.00 0.00 C ATOM 103 CD GLU A 7 -9.220 12.585 7.259 1.00 0.00 C ATOM 104 OE1 GLU A 7 -8.980 12.960 8.429 1.00 0.00 O ATOM 105 OE2 GLU A 7 -10.195 11.864 6.969 1.00 0.00 O ATOM 0 HA GLU A 7 -5.346 12.911 6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.608 11.401 4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.060 11.378 6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.807 13.975 6.453 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.887 13.277 5.262 1.00 0.00 H new ATOM 112 N PHE A 8 -4.984 11.995 3.238 1.00 0.00 N ATOM 113 CA PHE A 8 -4.268 11.149 2.316 1.00 0.00 C ATOM 114 C PHE A 8 -3.015 11.890 1.960 1.00 0.00 C ATOM 115 O PHE A 8 -2.847 12.351 0.832 1.00 0.00 O ATOM 116 CB PHE A 8 -5.050 10.861 1.030 1.00 0.00 C ATOM 117 CG PHE A 8 -6.542 10.888 1.153 1.00 0.00 C ATOM 118 CD1 PHE A 8 -7.257 11.930 0.603 1.00 0.00 C ATOM 119 CD2 PHE A 8 -7.230 9.867 1.784 1.00 0.00 C ATOM 120 CE1 PHE A 8 -8.629 11.969 0.685 1.00 0.00 C ATOM 121 CE2 PHE A 8 -8.604 9.901 1.872 1.00 0.00 C ATOM 122 CZ PHE A 8 -9.304 10.949 1.319 1.00 0.00 C ATOM 0 H PHE A 8 -5.370 12.841 2.818 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.083 10.184 2.788 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.754 11.590 0.276 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.753 9.880 0.659 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.732 12.728 0.100 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.686 9.037 2.211 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.175 12.795 0.254 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.132 9.105 2.375 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.382 10.972 1.382 1.00 0.00 H new ATOM 132 N ALA A 9 -2.155 12.065 2.934 1.00 0.00 N ATOM 133 CA ALA A 9 -0.959 12.786 2.715 1.00 0.00 C ATOM 134 C ALA A 9 0.142 12.292 3.619 1.00 0.00 C ATOM 135 O ALA A 9 0.120 11.161 4.102 1.00 0.00 O ATOM 136 CB ALA A 9 -1.215 14.275 2.906 1.00 0.00 C ATOM 0 H ALA A 9 -2.276 11.711 3.883 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.628 12.623 1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.291 14.828 2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.972 14.608 2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.565 14.457 3.922 1.00 0.00 H new ATOM 142 N LEU A 10 1.081 13.167 3.843 1.00 0.00 N ATOM 143 CA LEU A 10 2.258 12.867 4.634 1.00 0.00 C ATOM 144 C LEU A 10 1.908 12.438 6.048 1.00 0.00 C ATOM 145 O LEU A 10 1.480 13.256 6.864 1.00 0.00 O ATOM 146 CB LEU A 10 3.162 14.081 4.674 1.00 0.00 C ATOM 147 CG LEU A 10 4.077 14.240 3.460 1.00 0.00 C ATOM 148 CD1 LEU A 10 3.495 15.244 2.479 1.00 0.00 C ATOM 149 CD2 LEU A 10 5.476 14.656 3.885 1.00 0.00 C ATOM 0 H LEU A 10 1.058 14.120 3.481 1.00 0.00 H new ATOM 0 HA LEU A 10 2.771 12.030 4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.544 14.974 4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.778 14.028 5.571 1.00 0.00 H new ATOM 0 HG LEU A 10 4.148 13.273 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.161 15.343 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.518 14.898 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.388 16.212 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.108 14.762 3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.428 15.608 4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.897 13.896 4.543 1.00 0.00 H new ATOM 161 N GLY A 11 2.090 11.150 6.328 1.00 0.00 N ATOM 162 CA GLY A 11 1.797 10.627 7.644 1.00 0.00 C ATOM 163 C GLY A 11 0.330 10.726 7.959 1.00 0.00 C ATOM 164 O GLY A 11 -0.067 10.803 9.120 1.00 0.00 O ATOM 0 H GLY A 11 2.437 10.460 5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.114 9.586 7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.369 11.177 8.391 1.00 0.00 H new ATOM 168 N GLY A 12 -0.471 10.711 6.910 1.00 0.00 N ATOM 169 CA GLY A 12 -1.899 10.816 7.063 1.00 0.00 C ATOM 170 C GLY A 12 -2.531 9.503 7.449 1.00 0.00 C ATOM 171 O GLY A 12 -2.049 8.434 7.069 1.00 0.00 O ATOM 0 H GLY A 12 -0.151 10.627 5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.127 11.564 7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.337 11.167 6.129 1.00 0.00 H new ATOM 175 N ARG A 13 -3.591 9.584 8.231 1.00 0.00 N ATOM 176 CA ARG A 13 -4.304 8.402 8.657 1.00 0.00 C ATOM 177 C ARG A 13 -5.253 7.973 7.549 1.00 0.00 C ATOM 178 O ARG A 13 -6.192 8.686 7.191 1.00 0.00 O ATOM 179 CB ARG A 13 -5.061 8.674 9.958 1.00 0.00 C ATOM 180 CG ARG A 13 -6.150 9.720 9.812 1.00 0.00 C ATOM 181 CD ARG A 13 -6.816 10.035 11.141 1.00 0.00 C ATOM 182 NE ARG A 13 -5.970 10.860 12.005 1.00 0.00 N ATOM 183 CZ ARG A 13 -6.437 11.864 12.744 1.00 0.00 C ATOM 184 NH1 ARG A 13 -7.720 12.186 12.680 1.00 0.00 N ATOM 185 NH2 ARG A 13 -5.615 12.556 13.531 1.00 0.00 N ATOM 0 H ARG A 13 -3.976 10.461 8.583 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.597 7.595 8.852 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.505 7.744 10.313 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.354 9.000 10.720 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.723 10.632 9.395 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.900 9.366 9.105 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.759 10.551 10.959 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.057 9.104 11.654 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.972 10.655 12.043 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.346 11.665 12.066 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.082 12.955 13.245 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.624 12.317 13.569 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.976 13.325 14.096 1.00 0.00 H new ATOM 199 N CYS A 14 -4.993 6.827 6.977 1.00 0.00 N ATOM 200 CA CYS A 14 -5.819 6.349 5.897 1.00 0.00 C ATOM 201 C CYS A 14 -6.131 4.874 6.000 1.00 0.00 C ATOM 202 O CYS A 14 -5.477 4.111 6.715 1.00 0.00 O ATOM 203 CB CYS A 14 -5.148 6.634 4.561 1.00 0.00 C ATOM 204 SG CYS A 14 -5.547 8.256 3.887 1.00 0.00 S ATOM 0 H CYS A 14 -4.223 6.211 7.237 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.766 6.885 5.968 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.068 6.556 4.682 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.445 5.869 3.844 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.159 9.178 4.717 1.00 0.00 H new ATOM 210 N LEU A 15 -7.176 4.512 5.299 1.00 0.00 N ATOM 211 CA LEU A 15 -7.618 3.148 5.202 1.00 0.00 C ATOM 212 C LEU A 15 -7.253 2.687 3.815 1.00 0.00 C ATOM 213 O LEU A 15 -7.237 3.495 2.894 1.00 0.00 O ATOM 214 CB LEU A 15 -9.123 3.052 5.420 1.00 0.00 C ATOM 215 CG LEU A 15 -9.593 3.340 6.846 1.00 0.00 C ATOM 216 CD1 LEU A 15 -11.042 3.795 6.839 1.00 0.00 C ATOM 217 CD2 LEU A 15 -9.430 2.100 7.713 1.00 0.00 C ATOM 0 H LEU A 15 -7.751 5.169 4.772 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.148 2.526 5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.617 3.749 4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.451 2.051 5.141 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.980 4.139 7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.365 3.997 7.860 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.135 4.703 6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.667 3.012 6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.768 2.317 8.726 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.025 1.286 7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.380 1.807 7.736 1.00 0.00 H new ATOM 229 N ALA A 16 -6.945 1.428 3.641 1.00 0.00 N ATOM 230 CA ALA A 16 -6.569 0.958 2.332 1.00 0.00 C ATOM 231 C ALA A 16 -7.139 -0.412 2.105 1.00 0.00 C ATOM 232 O ALA A 16 -7.236 -1.214 3.034 1.00 0.00 O ATOM 233 CB ALA A 16 -5.059 0.982 2.155 1.00 0.00 C ATOM 0 H ALA A 16 -6.946 0.720 4.375 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.983 1.628 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.804 0.622 1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.695 2.002 2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.595 0.339 2.903 1.00 0.00 H new ATOM 239 N PHE A 17 -7.531 -0.669 0.878 1.00 0.00 N ATOM 240 CA PHE A 17 -8.138 -1.931 0.541 1.00 0.00 C ATOM 241 C PHE A 17 -7.114 -3.019 0.285 1.00 0.00 C ATOM 242 O PHE A 17 -6.495 -3.076 -0.781 1.00 0.00 O ATOM 243 CB PHE A 17 -9.044 -1.781 -0.681 1.00 0.00 C ATOM 244 CG PHE A 17 -10.442 -1.345 -0.352 1.00 0.00 C ATOM 245 CD1 PHE A 17 -10.841 -1.165 0.962 1.00 0.00 C ATOM 246 CD2 PHE A 17 -11.359 -1.125 -1.362 1.00 0.00 C ATOM 247 CE1 PHE A 17 -12.130 -0.771 1.258 1.00 0.00 C ATOM 248 CE2 PHE A 17 -12.649 -0.728 -1.073 1.00 0.00 C ATOM 249 CZ PHE A 17 -13.036 -0.554 0.239 1.00 0.00 C ATOM 0 H PHE A 17 -7.439 -0.018 0.098 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.731 -2.233 1.404 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.599 -1.057 -1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.086 -2.734 -1.209 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.136 -1.335 1.763 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.062 -1.266 -2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -12.430 -0.632 2.286 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.354 -0.554 -1.873 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.046 -0.249 0.469 1.00 0.00 H new ATOM 259 N HIS A 18 -6.940 -3.872 1.277 1.00 0.00 N ATOM 260 CA HIS A 18 -6.071 -5.015 1.149 1.00 0.00 C ATOM 261 C HIS A 18 -6.972 -6.114 0.640 1.00 0.00 C ATOM 262 O HIS A 18 -7.725 -6.721 1.408 1.00 0.00 O ATOM 263 CB HIS A 18 -5.433 -5.400 2.486 1.00 0.00 C ATOM 264 CG HIS A 18 -4.365 -6.442 2.358 1.00 0.00 C ATOM 265 ND1 HIS A 18 -4.470 -7.654 2.996 1.00 0.00 N ATOM 266 CD2 HIS A 18 -3.214 -6.414 1.645 1.00 0.00 C ATOM 267 CE1 HIS A 18 -3.392 -8.337 2.654 1.00 0.00 C ATOM 268 NE2 HIS A 18 -2.603 -7.624 1.838 1.00 0.00 N ATOM 0 H HIS A 18 -7.396 -3.789 2.186 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.234 -4.815 0.480 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.007 -4.509 2.947 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.209 -5.766 3.158 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.849 -5.596 1.041 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.175 -9.341 2.989 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.715 -7.926 1.437 1.00 0.00 H new ATOM 276 N GLY A 19 -6.943 -6.317 -0.662 1.00 0.00 N ATOM 277 CA GLY A 19 -7.828 -7.276 -1.261 1.00 0.00 C ATOM 278 C GLY A 19 -9.222 -6.686 -1.305 1.00 0.00 C ATOM 279 O GLY A 19 -9.458 -5.724 -2.038 1.00 0.00 O ATOM 0 H GLY A 19 -6.323 -5.834 -1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.491 -7.525 -2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.827 -8.202 -0.686 1.00 0.00 H new ATOM 283 N PRO A 20 -10.166 -7.229 -0.530 1.00 0.00 N ATOM 284 CA PRO A 20 -11.524 -6.725 -0.469 1.00 0.00 C ATOM 285 C PRO A 20 -11.839 -5.898 0.778 1.00 0.00 C ATOM 286 O PRO A 20 -12.941 -5.362 0.889 1.00 0.00 O ATOM 287 CB PRO A 20 -12.334 -8.015 -0.421 1.00 0.00 C ATOM 288 CG PRO A 20 -11.425 -9.047 0.191 1.00 0.00 C ATOM 289 CD PRO A 20 -10.038 -8.445 0.270 1.00 0.00 C ATOM 0 HA PRO A 20 -11.730 -6.050 -1.300 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.238 -7.887 0.175 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.650 -8.316 -1.420 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.778 -9.328 1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.415 -9.955 -0.412 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.751 -8.224 1.298 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.282 -9.118 -0.135 1.00 0.00 H new ATOM 297 N LEU A 21 -10.903 -5.771 1.716 1.00 0.00 N ATOM 298 CA LEU A 21 -11.221 -5.047 2.941 1.00 0.00 C ATOM 299 C LEU A 21 -10.343 -3.843 3.234 1.00 0.00 C ATOM 300 O LEU A 21 -9.260 -3.674 2.690 1.00 0.00 O ATOM 301 CB LEU A 21 -11.207 -5.990 4.135 1.00 0.00 C ATOM 302 CG LEU A 21 -12.494 -6.785 4.313 1.00 0.00 C ATOM 303 CD1 LEU A 21 -12.638 -7.265 5.738 1.00 0.00 C ATOM 304 CD2 LEU A 21 -13.689 -5.937 3.936 1.00 0.00 C ATOM 0 H LEU A 21 -9.955 -6.144 1.657 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.220 -4.646 2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.375 -6.685 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.022 -5.411 5.040 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.448 -7.654 3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.565 -7.830 5.840 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.793 -7.904 5.994 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.660 -6.407 6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.603 -6.517 4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.724 -5.054 4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.602 -5.628 2.894 1.00 0.00 H new ATOM 316 N MET A 22 -10.860 -3.028 4.144 1.00 0.00 N ATOM 317 CA MET A 22 -10.224 -1.802 4.593 1.00 0.00 C ATOM 318 C MET A 22 -9.367 -2.043 5.830 1.00 0.00 C ATOM 319 O MET A 22 -9.828 -2.626 6.815 1.00 0.00 O ATOM 320 CB MET A 22 -11.306 -0.771 4.930 1.00 0.00 C ATOM 321 CG MET A 22 -11.110 0.565 4.243 1.00 0.00 C ATOM 322 SD MET A 22 -12.490 1.685 4.535 1.00 0.00 S ATOM 323 CE MET A 22 -13.835 0.763 3.797 1.00 0.00 C ATOM 0 H MET A 22 -11.755 -3.208 4.600 1.00 0.00 H new ATOM 0 HA MET A 22 -9.580 -1.437 3.793 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.279 -1.174 4.650 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.324 -0.616 6.009 1.00 0.00 H new ATOM 0 HG2 MET A 22 -10.189 1.025 4.601 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.992 0.407 3.171 1.00 0.00 H new ATOM 0 HE1 MET A 22 -14.751 1.351 3.850 1.00 0.00 H new ATOM 0 HE2 MET A 22 -13.601 0.550 2.754 1.00 0.00 H new ATOM 0 HE3 MET A 22 -13.973 -0.174 4.337 1.00 0.00 H new ATOM 333 N TYR A 23 -8.128 -1.593 5.777 1.00 0.00 N ATOM 334 CA TYR A 23 -7.213 -1.736 6.898 1.00 0.00 C ATOM 335 C TYR A 23 -6.595 -0.389 7.248 1.00 0.00 C ATOM 336 O TYR A 23 -6.473 0.479 6.384 1.00 0.00 O ATOM 337 CB TYR A 23 -6.111 -2.746 6.571 1.00 0.00 C ATOM 338 CG TYR A 23 -6.554 -4.188 6.665 1.00 0.00 C ATOM 339 CD1 TYR A 23 -6.973 -4.882 5.537 1.00 0.00 C ATOM 340 CD2 TYR A 23 -6.551 -4.853 7.882 1.00 0.00 C ATOM 341 CE1 TYR A 23 -7.375 -6.201 5.622 1.00 0.00 C ATOM 342 CE2 TYR A 23 -6.953 -6.169 7.975 1.00 0.00 C ATOM 343 CZ TYR A 23 -7.363 -6.841 6.843 1.00 0.00 C ATOM 344 OH TYR A 23 -7.755 -8.158 6.933 1.00 0.00 O ATOM 0 H TYR A 23 -7.728 -1.122 4.965 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.777 -2.103 7.755 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.743 -2.554 5.563 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.274 -2.588 7.251 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.985 -4.383 4.579 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.229 -4.332 8.771 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.697 -6.728 4.736 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.947 -6.671 8.931 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.686 -8.457 7.864 1.00 0.00 H new ATOM 354 N GLU A 24 -6.227 -0.218 8.513 1.00 0.00 N ATOM 355 CA GLU A 24 -5.619 1.024 8.980 1.00 0.00 C ATOM 356 C GLU A 24 -4.144 1.051 8.612 1.00 0.00 C ATOM 357 O GLU A 24 -3.407 0.105 8.896 1.00 0.00 O ATOM 358 CB GLU A 24 -5.777 1.149 10.499 1.00 0.00 C ATOM 359 CG GLU A 24 -5.486 2.540 11.045 1.00 0.00 C ATOM 360 CD GLU A 24 -5.604 2.610 12.556 1.00 0.00 C ATOM 361 OE1 GLU A 24 -6.684 2.274 13.091 1.00 0.00 O ATOM 362 OE2 GLU A 24 -4.624 3.019 13.215 1.00 0.00 O ATOM 0 H GLU A 24 -6.340 -0.927 9.237 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.122 1.864 8.500 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.795 0.870 10.771 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.111 0.435 10.982 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.481 2.840 10.748 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.177 3.254 10.597 1.00 0.00 H new ATOM 369 N ALA A 25 -3.715 2.126 7.972 1.00 0.00 N ATOM 370 CA ALA A 25 -2.328 2.254 7.577 1.00 0.00 C ATOM 371 C ALA A 25 -1.893 3.708 7.575 1.00 0.00 C ATOM 372 O ALA A 25 -2.712 4.615 7.422 1.00 0.00 O ATOM 373 CB ALA A 25 -2.116 1.632 6.210 1.00 0.00 C ATOM 0 H ALA A 25 -4.306 2.917 7.717 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.714 1.723 8.304 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.070 1.734 5.922 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.381 0.575 6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.744 2.139 5.478 1.00 0.00 H new ATOM 379 N LYS A 26 -0.607 3.929 7.777 1.00 0.00 N ATOM 380 CA LYS A 26 -0.066 5.278 7.778 1.00 0.00 C ATOM 381 C LYS A 26 0.665 5.533 6.476 1.00 0.00 C ATOM 382 O LYS A 26 1.535 4.755 6.083 1.00 0.00 O ATOM 383 CB LYS A 26 0.884 5.491 8.956 1.00 0.00 C ATOM 384 CG LYS A 26 1.200 6.954 9.212 1.00 0.00 C ATOM 385 CD LYS A 26 2.362 7.121 10.174 1.00 0.00 C ATOM 386 CE LYS A 26 2.555 8.580 10.557 1.00 0.00 C ATOM 387 NZ LYS A 26 1.674 8.982 11.688 1.00 0.00 N ATOM 0 H LYS A 26 0.082 3.195 7.942 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.894 5.980 7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.442 5.059 9.854 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.813 4.953 8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.436 7.445 8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.318 7.450 9.618 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.183 6.528 11.071 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.274 6.739 9.716 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.596 8.748 10.832 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.347 9.212 9.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.838 9.983 11.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.679 8.847 11.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.889 8.397 12.521 1.00 0.00 H new ATOM 401 N ILE A 27 0.299 6.610 5.805 1.00 0.00 N ATOM 402 CA ILE A 27 0.921 6.962 4.541 1.00 0.00 C ATOM 403 C ILE A 27 2.296 7.536 4.759 1.00 0.00 C ATOM 404 O ILE A 27 2.464 8.613 5.325 1.00 0.00 O ATOM 405 CB ILE A 27 0.074 7.960 3.737 1.00 0.00 C ATOM 406 CG1 ILE A 27 -1.406 7.593 3.815 1.00 0.00 C ATOM 407 CG2 ILE A 27 0.539 7.985 2.292 1.00 0.00 C ATOM 408 CD1 ILE A 27 -2.318 8.649 3.243 1.00 0.00 C ATOM 0 H ILE A 27 -0.426 7.257 6.114 1.00 0.00 H new ATOM 0 HA ILE A 27 0.999 6.040 3.966 1.00 0.00 H new ATOM 0 HB ILE A 27 0.201 8.954 4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.569 6.656 3.282 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.674 7.418 4.857 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.066 8.695 1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.585 8.287 2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.432 6.991 1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.354 8.322 3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.184 9.581 3.791 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.076 8.808 2.192 1.00 0.00 H new ATOM 420 N LEU A 28 3.272 6.789 4.305 1.00 0.00 N ATOM 421 CA LEU A 28 4.651 7.174 4.433 1.00 0.00 C ATOM 422 C LEU A 28 5.160 7.869 3.171 1.00 0.00 C ATOM 423 O LEU A 28 6.068 8.696 3.234 1.00 0.00 O ATOM 424 CB LEU A 28 5.483 5.937 4.720 1.00 0.00 C ATOM 425 CG LEU A 28 6.950 6.219 4.959 1.00 0.00 C ATOM 426 CD1 LEU A 28 7.145 6.946 6.282 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.758 4.935 4.926 1.00 0.00 C ATOM 0 H LEU A 28 3.129 5.895 3.835 1.00 0.00 H new ATOM 0 HA LEU A 28 4.740 7.885 5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.074 5.433 5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.389 5.247 3.882 1.00 0.00 H new ATOM 0 HG LEU A 28 7.309 6.864 4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.206 7.141 6.437 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.602 7.891 6.261 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.767 6.328 7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.810 5.162 5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.399 4.259 5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.646 4.460 3.951 1.00 0.00 H new ATOM 439 N LYS A 29 4.594 7.523 2.025 1.00 0.00 N ATOM 440 CA LYS A 29 5.020 8.140 0.775 1.00 0.00 C ATOM 441 C LYS A 29 3.825 8.545 -0.071 1.00 0.00 C ATOM 442 O LYS A 29 2.929 7.748 -0.318 1.00 0.00 O ATOM 443 CB LYS A 29 5.902 7.195 -0.047 1.00 0.00 C ATOM 444 CG LYS A 29 7.061 6.597 0.725 1.00 0.00 C ATOM 445 CD LYS A 29 7.871 5.643 -0.133 1.00 0.00 C ATOM 446 CE LYS A 29 8.915 4.929 0.699 1.00 0.00 C ATOM 447 NZ LYS A 29 9.511 3.772 -0.019 1.00 0.00 N ATOM 0 H LYS A 29 3.851 6.830 1.932 1.00 0.00 H new ATOM 0 HA LYS A 29 5.596 9.025 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.284 6.386 -0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.295 7.738 -0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.706 7.396 1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.682 6.068 1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.209 4.913 -0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.356 6.194 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.703 5.631 0.970 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.462 4.583 1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.703 3.005 0.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.847 3.435 -0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.400 4.065 -0.472 1.00 0.00 H new ATOM 461 N ILE A 30 3.822 9.791 -0.492 1.00 0.00 N ATOM 462 CA ILE A 30 2.764 10.321 -1.347 1.00 0.00 C ATOM 463 C ILE A 30 3.208 10.210 -2.790 1.00 0.00 C ATOM 464 O ILE A 30 4.391 10.301 -3.059 1.00 0.00 O ATOM 465 CB ILE A 30 2.440 11.799 -1.020 1.00 0.00 C ATOM 466 CG1 ILE A 30 2.306 11.994 0.487 1.00 0.00 C ATOM 467 CG2 ILE A 30 1.174 12.244 -1.731 1.00 0.00 C ATOM 468 CD1 ILE A 30 1.442 10.955 1.148 1.00 0.00 C ATOM 0 H ILE A 30 4.547 10.469 -0.256 1.00 0.00 H new ATOM 0 HA ILE A 30 1.858 9.740 -1.172 1.00 0.00 H new ATOM 0 HB ILE A 30 3.264 12.417 -1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.298 11.972 0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.888 12.982 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.966 13.286 -1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.307 12.144 -2.808 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.338 11.622 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.389 11.153 2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.439 10.991 0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.871 9.967 0.982 1.00 0.00 H new ATOM 480 N TRP A 31 2.290 10.023 -3.716 1.00 0.00 N ATOM 481 CA TRP A 31 2.682 9.875 -5.102 1.00 0.00 C ATOM 482 C TRP A 31 1.968 10.832 -6.045 1.00 0.00 C ATOM 483 O TRP A 31 0.731 10.842 -6.109 1.00 0.00 O ATOM 484 CB TRP A 31 2.401 8.472 -5.575 1.00 0.00 C ATOM 485 CG TRP A 31 2.646 8.341 -7.031 1.00 0.00 C ATOM 486 CD1 TRP A 31 1.736 8.378 -8.039 1.00 0.00 C ATOM 487 CD2 TRP A 31 3.907 8.199 -7.628 1.00 0.00 C ATOM 488 NE1 TRP A 31 2.371 8.235 -9.246 1.00 0.00 N ATOM 489 CE2 TRP A 31 3.713 8.117 -9.012 1.00 0.00 C ATOM 490 CE3 TRP A 31 5.186 8.120 -7.110 1.00 0.00 C ATOM 491 CZ2 TRP A 31 4.766 7.953 -9.885 1.00 0.00 C ATOM 492 CZ3 TRP A 31 6.231 7.963 -7.975 1.00 0.00 C ATOM 493 CH2 TRP A 31 6.015 7.882 -9.350 1.00 0.00 C ATOM 0 H TRP A 31 1.287 9.971 -3.540 1.00 0.00 H new ATOM 0 HA TRP A 31 3.747 10.105 -5.129 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.032 7.769 -5.032 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.367 8.210 -5.352 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.671 8.502 -7.909 1.00 0.00 H new ATOM 0 HE1 TRP A 31 1.920 8.219 -10.161 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.355 8.181 -6.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.607 7.884 -10.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.238 7.901 -7.589 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.862 7.760 -10.008 1.00 0.00 H new ATOM 504 N ASP A 32 2.767 11.554 -6.831 1.00 0.00 N ATOM 505 CA ASP A 32 2.258 12.495 -7.824 1.00 0.00 C ATOM 506 C ASP A 32 2.462 11.933 -9.229 1.00 0.00 C ATOM 507 O ASP A 32 3.595 11.779 -9.690 1.00 0.00 O ATOM 508 CB ASP A 32 2.961 13.848 -7.721 1.00 0.00 C ATOM 509 CG ASP A 32 2.676 14.723 -8.928 1.00 0.00 C ATOM 510 OD1 ASP A 32 1.489 15.016 -9.182 1.00 0.00 O ATOM 511 OD2 ASP A 32 3.632 15.113 -9.635 1.00 0.00 O ATOM 0 H ASP A 32 3.785 11.502 -6.796 1.00 0.00 H new ATOM 0 HA ASP A 32 1.195 12.639 -7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.634 14.360 -6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.036 13.693 -7.630 1.00 0.00 H new ATOM 516 N PRO A 33 1.367 11.638 -9.938 1.00 0.00 N ATOM 517 CA PRO A 33 1.410 11.075 -11.286 1.00 0.00 C ATOM 518 C PRO A 33 1.629 12.134 -12.364 1.00 0.00 C ATOM 519 O PRO A 33 1.746 11.818 -13.546 1.00 0.00 O ATOM 520 CB PRO A 33 0.022 10.441 -11.460 1.00 0.00 C ATOM 521 CG PRO A 33 -0.744 10.731 -10.206 1.00 0.00 C ATOM 522 CD PRO A 33 -0.014 11.827 -9.488 1.00 0.00 C ATOM 0 HA PRO A 33 2.239 10.376 -11.394 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.487 10.857 -12.329 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.105 9.366 -11.623 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.764 11.036 -10.439 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.813 9.840 -9.582 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.396 12.812 -9.756 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.104 11.733 -8.406 1.00 0.00 H new ATOM 530 N SER A 34 1.692 13.385 -11.944 1.00 0.00 N ATOM 531 CA SER A 34 1.874 14.497 -12.875 1.00 0.00 C ATOM 532 C SER A 34 3.324 14.589 -13.351 1.00 0.00 C ATOM 533 O SER A 34 3.592 15.001 -14.482 1.00 0.00 O ATOM 534 CB SER A 34 1.449 15.815 -12.220 1.00 0.00 C ATOM 535 OG SER A 34 0.290 15.637 -11.418 1.00 0.00 O ATOM 0 H SER A 34 1.620 13.662 -10.965 1.00 0.00 H new ATOM 0 HA SER A 34 1.243 14.313 -13.745 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.264 16.199 -11.607 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.251 16.560 -12.990 1.00 0.00 H new ATOM 0 HG SER A 34 0.552 15.563 -10.477 1.00 0.00 H new ATOM 541 N SER A 35 4.252 14.202 -12.491 1.00 0.00 N ATOM 542 CA SER A 35 5.666 14.250 -12.835 1.00 0.00 C ATOM 543 C SER A 35 6.292 12.871 -12.704 1.00 0.00 C ATOM 544 O SER A 35 7.301 12.577 -13.348 1.00 0.00 O ATOM 545 CB SER A 35 6.377 15.261 -11.943 1.00 0.00 C ATOM 546 OG SER A 35 5.573 16.421 -11.778 1.00 0.00 O ATOM 0 H SER A 35 4.054 13.852 -11.553 1.00 0.00 H new ATOM 0 HA SER A 35 5.772 14.567 -13.873 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.588 14.815 -10.971 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.336 15.534 -12.383 1.00 0.00 H new ATOM 0 HG SER A 35 4.856 16.234 -11.137 1.00 0.00 H new ATOM 552 N LYS A 36 5.694 12.061 -11.828 1.00 0.00 N ATOM 553 CA LYS A 36 6.094 10.686 -11.584 1.00 0.00 C ATOM 554 C LYS A 36 7.164 10.634 -10.523 1.00 0.00 C ATOM 555 O LYS A 36 8.132 9.874 -10.585 1.00 0.00 O ATOM 556 CB LYS A 36 6.504 9.938 -12.848 1.00 0.00 C ATOM 557 CG LYS A 36 6.314 8.452 -12.686 1.00 0.00 C ATOM 558 CD LYS A 36 6.526 7.685 -13.980 1.00 0.00 C ATOM 559 CE LYS A 36 6.304 6.195 -13.764 1.00 0.00 C ATOM 560 NZ LYS A 36 6.067 5.465 -15.037 1.00 0.00 N ATOM 0 H LYS A 36 4.901 12.356 -11.259 1.00 0.00 H new ATOM 0 HA LYS A 36 5.214 10.158 -11.217 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.913 10.293 -13.692 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.548 10.151 -13.078 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.009 8.082 -11.932 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.308 8.258 -12.315 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.840 8.053 -14.743 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.537 7.857 -14.349 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.173 5.770 -13.262 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.451 6.050 -13.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.057 4.441 -14.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.152 5.754 -15.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.826 5.688 -15.712 1.00 0.00 H new ATOM 574 N MET A 37 6.940 11.467 -9.541 1.00 0.00 N ATOM 575 CA MET A 37 7.752 11.581 -8.389 1.00 0.00 C ATOM 576 C MET A 37 6.845 11.293 -7.216 1.00 0.00 C ATOM 577 O MET A 37 5.633 11.142 -7.387 1.00 0.00 O ATOM 578 CB MET A 37 8.357 12.987 -8.298 1.00 0.00 C ATOM 579 CG MET A 37 7.321 14.099 -8.294 1.00 0.00 C ATOM 580 SD MET A 37 7.987 15.666 -8.883 1.00 0.00 S ATOM 581 CE MET A 37 6.593 16.753 -8.595 1.00 0.00 C ATOM 0 H MET A 37 6.146 12.108 -9.536 1.00 0.00 H new ATOM 0 HA MET A 37 8.592 10.886 -8.412 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.956 13.057 -7.390 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.034 13.137 -9.139 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.478 13.808 -8.921 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.936 14.229 -7.282 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.855 17.768 -8.894 1.00 0.00 H new ATOM 0 HE2 MET A 37 5.739 16.412 -9.180 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.335 16.741 -7.536 1.00 0.00 H new ATOM 591 N TYR A 38 7.391 11.264 -6.044 1.00 0.00 N ATOM 592 CA TYR A 38 6.620 10.948 -4.877 1.00 0.00 C ATOM 593 C TYR A 38 7.205 11.700 -3.697 1.00 0.00 C ATOM 594 O TYR A 38 8.344 12.169 -3.768 1.00 0.00 O ATOM 595 CB TYR A 38 6.633 9.436 -4.625 1.00 0.00 C ATOM 596 CG TYR A 38 7.984 8.855 -4.302 1.00 0.00 C ATOM 597 CD1 TYR A 38 8.337 8.606 -2.991 1.00 0.00 C ATOM 598 CD2 TYR A 38 8.899 8.553 -5.301 1.00 0.00 C ATOM 599 CE1 TYR A 38 9.561 8.069 -2.673 1.00 0.00 C ATOM 600 CE2 TYR A 38 10.132 8.015 -4.994 1.00 0.00 C ATOM 601 CZ TYR A 38 10.458 7.778 -3.673 1.00 0.00 C ATOM 602 OH TYR A 38 11.679 7.241 -3.348 1.00 0.00 O ATOM 0 H TYR A 38 8.376 11.457 -5.865 1.00 0.00 H new ATOM 0 HA TYR A 38 5.582 11.249 -5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.953 9.214 -3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.240 8.933 -5.508 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.638 8.838 -2.201 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.642 8.742 -6.333 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.817 7.876 -1.642 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.836 7.781 -5.779 1.00 0.00 H new ATOM 0 HH TYR A 38 11.567 6.584 -2.630 1.00 0.00 H new ATOM 612 N THR A 39 6.450 11.839 -2.628 1.00 0.00 N ATOM 613 CA THR A 39 6.956 12.536 -1.469 1.00 0.00 C ATOM 614 C THR A 39 6.883 11.642 -0.238 1.00 0.00 C ATOM 615 O THR A 39 5.810 11.340 0.283 1.00 0.00 O ATOM 616 CB THR A 39 6.233 13.870 -1.235 1.00 0.00 C ATOM 617 OG1 THR A 39 4.953 13.664 -0.628 1.00 0.00 O ATOM 618 CG2 THR A 39 6.051 14.618 -2.543 1.00 0.00 C ATOM 0 H THR A 39 5.498 11.484 -2.539 1.00 0.00 H new ATOM 0 HA THR A 39 8.002 12.777 -1.659 1.00 0.00 H new ATOM 0 HB THR A 39 6.852 14.463 -0.562 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.889 12.741 -0.304 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.537 15.560 -2.355 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.026 14.819 -2.986 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.459 14.012 -3.229 1.00 0.00 H new ATOM 626 N SER A 40 8.043 11.222 0.205 1.00 0.00 N ATOM 627 CA SER A 40 8.165 10.327 1.343 1.00 0.00 C ATOM 628 C SER A 40 8.464 11.096 2.627 1.00 0.00 C ATOM 629 O SER A 40 8.662 12.307 2.608 1.00 0.00 O ATOM 630 CB SER A 40 9.289 9.321 1.055 1.00 0.00 C ATOM 631 OG SER A 40 9.377 8.317 2.053 1.00 0.00 O ATOM 0 H SER A 40 8.935 11.489 -0.211 1.00 0.00 H new ATOM 0 HA SER A 40 7.219 9.806 1.488 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.116 8.853 0.086 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.240 9.850 0.989 1.00 0.00 H new ATOM 0 HG SER A 40 10.103 7.697 1.831 1.00 0.00 H new ATOM 637 N ILE A 41 8.433 10.394 3.746 1.00 0.00 N ATOM 638 CA ILE A 41 8.766 10.992 5.029 1.00 0.00 C ATOM 639 C ILE A 41 9.840 10.153 5.717 1.00 0.00 C ATOM 640 O ILE A 41 9.793 8.923 5.671 1.00 0.00 O ATOM 641 CB ILE A 41 7.542 11.090 5.969 1.00 0.00 C ATOM 642 CG1 ILE A 41 6.242 11.106 5.173 1.00 0.00 C ATOM 643 CG2 ILE A 41 7.630 12.336 6.843 1.00 0.00 C ATOM 644 CD1 ILE A 41 5.069 10.559 5.943 1.00 0.00 C ATOM 0 H ILE A 41 8.180 9.407 3.793 1.00 0.00 H new ATOM 0 HA ILE A 41 9.123 12.003 4.831 1.00 0.00 H new ATOM 0 HB ILE A 41 7.546 10.209 6.611 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.023 12.129 4.868 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.374 10.523 4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.759 12.385 7.496 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.535 12.293 7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.659 13.223 6.210 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.175 10.598 5.321 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.269 9.525 6.226 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.913 11.157 6.841 1.00 0.00 H new ATOM 846 N ILE A 56 12.783 15.582 2.145 1.00 0.00 N ATOM 847 CA ILE A 56 12.140 14.832 1.087 1.00 0.00 C ATOM 848 C ILE A 56 11.475 15.725 0.062 1.00 0.00 C ATOM 849 O ILE A 56 10.325 16.139 0.214 1.00 0.00 O ATOM 850 CB ILE A 56 11.105 13.840 1.625 1.00 0.00 C ATOM 851 CG1 ILE A 56 11.710 12.972 2.743 1.00 0.00 C ATOM 852 CG2 ILE A 56 10.605 12.976 0.474 1.00 0.00 C ATOM 853 CD1 ILE A 56 12.735 11.964 2.258 1.00 0.00 C ATOM 0 HA ILE A 56 12.945 14.280 0.601 1.00 0.00 H new ATOM 0 HB ILE A 56 10.266 14.387 2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 56 12.178 13.623 3.481 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.906 12.440 3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.867 12.266 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.147 13.610 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.443 12.433 0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.113 11.393 3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.269 11.286 1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.561 12.488 1.776 1.00 0.00 H new ATOM 865 N LYS A 57 12.223 16.027 -0.970 1.00 0.00 N ATOM 866 CA LYS A 57 11.713 16.798 -2.077 1.00 0.00 C ATOM 867 C LYS A 57 11.065 15.800 -3.024 1.00 0.00 C ATOM 868 O LYS A 57 11.398 14.616 -2.962 1.00 0.00 O ATOM 869 CB LYS A 57 12.852 17.552 -2.778 1.00 0.00 C ATOM 870 CG LYS A 57 14.001 17.931 -1.853 1.00 0.00 C ATOM 871 CD LYS A 57 15.264 18.239 -2.638 1.00 0.00 C ATOM 872 CE LYS A 57 16.497 18.197 -1.751 1.00 0.00 C ATOM 873 NZ LYS A 57 17.747 18.435 -2.519 1.00 0.00 N ATOM 0 H LYS A 57 13.199 15.747 -1.067 1.00 0.00 H new ATOM 0 HA LYS A 57 10.996 17.548 -1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.239 16.934 -3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.450 18.458 -3.232 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.720 18.800 -1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.193 17.115 -1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.374 17.519 -3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.178 19.224 -3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 57 16.405 18.949 -0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.555 17.227 -1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 18.563 18.398 -1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 17.850 17.703 -3.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.705 19.371 -2.970 1.00 0.00 H new ATOM 887 N PRO A 58 10.108 16.210 -3.864 1.00 0.00 N ATOM 888 CA PRO A 58 9.471 15.289 -4.805 1.00 0.00 C ATOM 889 C PRO A 58 10.517 14.593 -5.672 1.00 0.00 C ATOM 890 O PRO A 58 11.136 15.215 -6.534 1.00 0.00 O ATOM 891 CB PRO A 58 8.568 16.197 -5.639 1.00 0.00 C ATOM 892 CG PRO A 58 8.308 17.376 -4.770 1.00 0.00 C ATOM 893 CD PRO A 58 9.559 17.569 -3.958 1.00 0.00 C ATOM 0 HA PRO A 58 8.918 14.488 -4.314 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.054 16.491 -6.570 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.640 15.692 -5.909 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.089 18.261 -5.367 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.446 17.204 -4.126 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.255 18.252 -4.446 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.341 17.985 -2.974 1.00 0.00 H new ATOM 901 N GLN A 59 10.712 13.305 -5.426 1.00 0.00 N ATOM 902 CA GLN A 59 11.716 12.529 -6.138 1.00 0.00 C ATOM 903 C GLN A 59 11.059 11.497 -7.031 1.00 0.00 C ATOM 904 O GLN A 59 10.095 10.854 -6.630 1.00 0.00 O ATOM 905 CB GLN A 59 12.646 11.827 -5.141 1.00 0.00 C ATOM 906 CG GLN A 59 13.561 12.771 -4.374 1.00 0.00 C ATOM 907 CD GLN A 59 13.875 12.273 -2.976 1.00 0.00 C ATOM 908 OE1 GLN A 59 14.840 11.538 -2.763 1.00 0.00 O ATOM 909 NE2 GLN A 59 13.063 12.672 -2.010 1.00 0.00 N ATOM 0 H GLN A 59 10.184 12.773 -4.734 1.00 0.00 H new ATOM 0 HA GLN A 59 12.299 13.211 -6.757 1.00 0.00 H new ATOM 0 HB2 GLN A 59 12.041 11.266 -4.429 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.258 11.103 -5.679 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.491 12.899 -4.928 1.00 0.00 H new ATOM 0 HG3 GLN A 59 13.092 13.753 -4.309 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.274 13.281 -2.226 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.226 12.370 -1.049 1.00 0.00 H new ATOM 918 N LYS A 60 11.567 11.359 -8.241 1.00 0.00 N ATOM 919 CA LYS A 60 11.046 10.406 -9.191 1.00 0.00 C ATOM 920 C LYS A 60 11.524 9.013 -8.835 1.00 0.00 C ATOM 921 O LYS A 60 12.698 8.809 -8.513 1.00 0.00 O ATOM 922 CB LYS A 60 11.436 10.805 -10.614 1.00 0.00 C ATOM 923 CG LYS A 60 10.643 12.004 -11.109 1.00 0.00 C ATOM 924 CD LYS A 60 11.244 12.644 -12.349 1.00 0.00 C ATOM 925 CE LYS A 60 10.602 13.998 -12.617 1.00 0.00 C ATOM 926 NZ LYS A 60 11.133 14.645 -13.844 1.00 0.00 N ATOM 0 H LYS A 60 12.353 11.907 -8.589 1.00 0.00 H new ATOM 0 HA LYS A 60 9.957 10.404 -9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.501 11.037 -10.646 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.273 9.961 -11.284 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.622 11.692 -11.327 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.586 12.748 -10.314 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.319 12.765 -12.218 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.099 11.990 -13.209 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.524 13.873 -12.714 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.772 14.653 -11.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.665 15.563 -13.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.158 14.791 -13.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.949 14.035 -14.666 1.00 0.00 H new ATOM 940 N LEU A 61 10.580 8.082 -8.866 1.00 0.00 N ATOM 941 CA LEU A 61 10.809 6.675 -8.524 1.00 0.00 C ATOM 942 C LEU A 61 12.172 6.148 -8.948 1.00 0.00 C ATOM 943 O LEU A 61 12.469 6.039 -10.139 1.00 0.00 O ATOM 944 CB LEU A 61 9.743 5.810 -9.168 1.00 0.00 C ATOM 945 CG LEU A 61 8.360 5.900 -8.546 1.00 0.00 C ATOM 946 CD1 LEU A 61 7.441 4.870 -9.181 1.00 0.00 C ATOM 947 CD2 LEU A 61 8.434 5.724 -7.039 1.00 0.00 C ATOM 0 H LEU A 61 9.616 8.281 -9.133 1.00 0.00 H new ATOM 0 HA LEU A 61 10.767 6.625 -7.436 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.667 6.082 -10.221 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.072 4.771 -9.130 1.00 0.00 H new ATOM 0 HG LEU A 61 7.948 6.891 -8.737 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.451 4.939 -8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.367 5.060 -10.252 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.845 3.871 -9.016 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.432 5.792 -6.615 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.860 4.748 -6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.063 6.505 -6.612 1.00 0.00 H new ATOM 959 N GLY A 62 12.988 5.814 -7.966 1.00 0.00 N ATOM 960 CA GLY A 62 14.295 5.281 -8.253 1.00 0.00 C ATOM 961 C GLY A 62 14.615 4.020 -7.472 1.00 0.00 C ATOM 962 O GLY A 62 14.259 3.894 -6.298 1.00 0.00 O ATOM 0 H GLY A 62 12.767 5.903 -6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 62 14.366 5.067 -9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.046 6.039 -8.029 1.00 0.00 H new ATOM 966 N GLU A 63 15.239 3.074 -8.165 1.00 0.00 N ATOM 967 CA GLU A 63 15.710 1.808 -7.595 1.00 0.00 C ATOM 968 C GLU A 63 14.621 0.788 -7.233 1.00 0.00 C ATOM 969 O GLU A 63 14.337 -0.116 -8.016 1.00 0.00 O ATOM 970 CB GLU A 63 16.607 2.065 -6.378 1.00 0.00 C ATOM 971 CG GLU A 63 17.932 2.717 -6.735 1.00 0.00 C ATOM 972 CD GLU A 63 18.658 1.976 -7.840 1.00 0.00 C ATOM 973 OE1 GLU A 63 18.656 2.463 -8.989 1.00 0.00 O ATOM 974 OE2 GLU A 63 19.237 0.906 -7.567 1.00 0.00 O ATOM 0 H GLU A 63 15.438 3.164 -9.161 1.00 0.00 H new ATOM 0 HA GLU A 63 16.273 1.344 -8.405 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.075 2.702 -5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.800 1.119 -5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 63 17.756 3.747 -7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 63 18.566 2.756 -5.849 1.00 0.00 H new ATOM 981 N ASP A 64 13.999 0.943 -6.073 1.00 0.00 N ATOM 982 CA ASP A 64 13.032 -0.060 -5.589 1.00 0.00 C ATOM 983 C ASP A 64 11.700 0.567 -5.261 1.00 0.00 C ATOM 984 O ASP A 64 10.914 0.029 -4.485 1.00 0.00 O ATOM 985 CB ASP A 64 13.579 -0.757 -4.337 1.00 0.00 C ATOM 986 CG ASP A 64 14.210 -2.103 -4.624 1.00 0.00 C ATOM 987 OD1 ASP A 64 13.572 -2.935 -5.301 1.00 0.00 O ATOM 988 OD2 ASP A 64 15.342 -2.345 -4.151 1.00 0.00 O ATOM 0 H ASP A 64 14.136 1.738 -5.449 1.00 0.00 H new ATOM 0 HA ASP A 64 12.886 -0.787 -6.388 1.00 0.00 H new ATOM 0 HB2 ASP A 64 14.319 -0.111 -3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.768 -0.890 -3.621 1.00 0.00 H new ATOM 993 N GLU A 65 11.454 1.700 -5.859 1.00 0.00 N ATOM 994 CA GLU A 65 10.242 2.442 -5.610 1.00 0.00 C ATOM 995 C GLU A 65 9.225 2.237 -6.733 1.00 0.00 C ATOM 996 O GLU A 65 8.136 2.801 -6.705 1.00 0.00 O ATOM 997 CB GLU A 65 10.638 3.902 -5.467 1.00 0.00 C ATOM 998 CG GLU A 65 11.425 4.194 -4.199 1.00 0.00 C ATOM 999 CD GLU A 65 10.583 4.218 -2.938 1.00 0.00 C ATOM 1000 OE1 GLU A 65 9.590 3.474 -2.851 1.00 0.00 O ATOM 1001 OE2 GLU A 65 10.932 4.979 -2.008 1.00 0.00 O ATOM 0 H GLU A 65 12.084 2.137 -6.532 1.00 0.00 H new ATOM 0 HA GLU A 65 9.755 2.092 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.234 4.195 -6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.738 4.517 -5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.205 3.441 -4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.924 5.157 -4.308 1.00 0.00 H new ATOM 1008 N SER A 66 9.598 1.398 -7.696 1.00 0.00 N ATOM 1009 CA SER A 66 8.770 1.077 -8.862 1.00 0.00 C ATOM 1010 C SER A 66 7.297 0.834 -8.497 1.00 0.00 C ATOM 1011 O SER A 66 6.980 -0.036 -7.685 1.00 0.00 O ATOM 1012 CB SER A 66 9.355 -0.156 -9.556 1.00 0.00 C ATOM 1013 OG SER A 66 10.779 -0.114 -9.554 1.00 0.00 O ATOM 0 H SER A 66 10.496 0.914 -7.691 1.00 0.00 H new ATOM 0 HA SER A 66 8.783 1.937 -9.532 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.013 -1.059 -9.050 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.990 -0.208 -10.582 1.00 0.00 H new ATOM 0 HG SER A 66 11.130 -0.912 -10.001 1.00 0.00 H new ATOM 1019 N ILE A 67 6.412 1.613 -9.116 1.00 0.00 N ATOM 1020 CA ILE A 67 4.973 1.523 -8.879 1.00 0.00 C ATOM 1021 C ILE A 67 4.267 0.876 -10.068 1.00 0.00 C ATOM 1022 O ILE A 67 4.635 1.137 -11.214 1.00 0.00 O ATOM 1023 CB ILE A 67 4.365 2.932 -8.669 1.00 0.00 C ATOM 1024 CG1 ILE A 67 4.901 3.544 -7.387 1.00 0.00 C ATOM 1025 CG2 ILE A 67 2.843 2.900 -8.647 1.00 0.00 C ATOM 1026 CD1 ILE A 67 4.394 4.939 -7.136 1.00 0.00 C ATOM 0 H ILE A 67 6.673 2.326 -9.797 1.00 0.00 H new ATOM 0 HA ILE A 67 4.829 0.916 -7.985 1.00 0.00 H new ATOM 0 HB ILE A 67 4.663 3.550 -9.516 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.625 2.908 -6.546 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.990 3.563 -7.429 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.460 3.909 -8.497 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.474 2.508 -9.595 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.504 2.259 -7.833 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.815 5.317 -6.205 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.692 5.588 -7.959 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.307 4.923 -7.062 1.00 0.00 H new ATOM 1038 N PRO A 68 3.274 0.002 -9.823 1.00 0.00 N ATOM 1039 CA PRO A 68 2.496 -0.615 -10.900 1.00 0.00 C ATOM 1040 C PRO A 68 1.917 0.460 -11.825 1.00 0.00 C ATOM 1041 O PRO A 68 1.209 1.363 -11.364 1.00 0.00 O ATOM 1042 CB PRO A 68 1.379 -1.346 -10.154 1.00 0.00 C ATOM 1043 CG PRO A 68 1.942 -1.622 -8.803 1.00 0.00 C ATOM 1044 CD PRO A 68 2.855 -0.470 -8.491 1.00 0.00 C ATOM 0 HA PRO A 68 3.087 -1.276 -11.534 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.479 -0.734 -10.090 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.101 -2.269 -10.663 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.149 -1.704 -8.059 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.487 -2.566 -8.793 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.340 0.311 -7.931 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.708 -0.784 -7.889 1.00 0.00 H new ATOM 1052 N GLU A 69 2.201 0.360 -13.123 1.00 0.00 N ATOM 1053 CA GLU A 69 1.734 1.351 -14.098 1.00 0.00 C ATOM 1054 C GLU A 69 0.207 1.401 -14.207 1.00 0.00 C ATOM 1055 O GLU A 69 -0.338 2.203 -14.962 1.00 0.00 O ATOM 1056 CB GLU A 69 2.344 1.081 -15.474 1.00 0.00 C ATOM 1057 CG GLU A 69 3.851 1.303 -15.536 1.00 0.00 C ATOM 1058 CD GLU A 69 4.250 2.750 -15.307 1.00 0.00 C ATOM 1059 OE1 GLU A 69 3.587 3.652 -15.859 1.00 0.00 O ATOM 1060 OE2 GLU A 69 5.243 2.993 -14.586 1.00 0.00 O ATOM 0 H GLU A 69 2.753 -0.397 -13.526 1.00 0.00 H new ATOM 0 HA GLU A 69 2.066 2.324 -13.735 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.126 0.053 -15.762 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.861 1.726 -16.208 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.336 0.676 -14.788 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.220 0.980 -16.510 1.00 0.00 H new ATOM 1067 N GLU A 70 -0.484 0.549 -13.470 1.00 0.00 N ATOM 1068 CA GLU A 70 -1.938 0.540 -13.488 1.00 0.00 C ATOM 1069 C GLU A 70 -2.504 1.441 -12.391 1.00 0.00 C ATOM 1070 O GLU A 70 -3.682 1.787 -12.413 1.00 0.00 O ATOM 1071 CB GLU A 70 -2.478 -0.887 -13.327 1.00 0.00 C ATOM 1072 CG GLU A 70 -1.845 -1.663 -12.184 1.00 0.00 C ATOM 1073 CD GLU A 70 -0.830 -2.673 -12.669 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -1.125 -3.887 -12.626 1.00 0.00 O ATOM 1075 OE2 GLU A 70 0.262 -2.259 -13.108 1.00 0.00 O ATOM 0 H GLU A 70 -0.063 -0.145 -12.852 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.259 0.927 -14.455 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.555 -0.841 -13.168 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.316 -1.433 -14.257 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.362 -0.967 -11.498 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.624 -2.176 -11.621 1.00 0.00 H new ATOM 1082 N ILE A 71 -1.665 1.831 -11.434 1.00 0.00 N ATOM 1083 CA ILE A 71 -2.119 2.678 -10.334 1.00 0.00 C ATOM 1084 C ILE A 71 -1.321 3.981 -10.267 1.00 0.00 C ATOM 1085 O ILE A 71 -1.749 4.960 -9.655 1.00 0.00 O ATOM 1086 CB ILE A 71 -2.012 1.947 -8.970 1.00 0.00 C ATOM 1087 CG1 ILE A 71 -0.547 1.811 -8.535 1.00 0.00 C ATOM 1088 CG2 ILE A 71 -2.663 0.574 -9.056 1.00 0.00 C ATOM 1089 CD1 ILE A 71 -0.371 1.291 -7.125 1.00 0.00 C ATOM 0 H ILE A 71 -0.678 1.577 -11.397 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.166 2.909 -10.531 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.537 2.542 -8.223 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.034 1.141 -9.225 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.063 2.784 -8.616 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.581 0.071 -8.092 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.715 0.686 -9.319 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.160 -0.020 -9.819 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.692 1.223 -6.892 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.853 1.972 -6.423 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.824 0.303 -7.042 1.00 0.00 H new ATOM 1101 N ILE A 72 -0.167 3.971 -10.922 1.00 0.00 N ATOM 1102 CA ILE A 72 0.756 5.108 -10.962 1.00 0.00 C ATOM 1103 C ILE A 72 0.093 6.417 -11.390 1.00 0.00 C ATOM 1104 O ILE A 72 0.401 7.473 -10.852 1.00 0.00 O ATOM 1105 CB ILE A 72 1.928 4.775 -11.907 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.074 5.787 -11.771 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.467 4.663 -13.352 1.00 0.00 C ATOM 1108 CD1 ILE A 72 2.970 6.981 -12.702 1.00 0.00 C ATOM 0 H ILE A 72 0.163 3.163 -11.450 1.00 0.00 H new ATOM 0 HA ILE A 72 1.113 5.267 -9.945 1.00 0.00 H new ATOM 0 HB ILE A 72 2.313 3.801 -11.605 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.106 6.146 -10.742 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.018 5.276 -11.960 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.320 4.428 -13.989 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.722 3.872 -13.436 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.028 5.609 -13.668 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.819 7.644 -12.539 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.971 6.637 -13.736 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.045 7.520 -12.500 1.00 0.00 H new ATOM 1120 N ASN A 73 -0.828 6.362 -12.331 1.00 0.00 N ATOM 1121 CA ASN A 73 -1.464 7.580 -12.811 1.00 0.00 C ATOM 1122 C ASN A 73 -2.689 7.937 -11.986 1.00 0.00 C ATOM 1123 O ASN A 73 -3.467 8.806 -12.373 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.868 7.447 -14.276 1.00 0.00 C ATOM 1125 CG ASN A 73 -0.796 6.820 -15.142 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -0.793 5.613 -15.366 1.00 0.00 O ATOM 1127 ND2 ASN A 73 0.115 7.637 -15.645 1.00 0.00 N ATOM 0 H ASN A 73 -1.152 5.503 -12.775 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.729 8.379 -12.709 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.775 6.846 -14.342 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.111 8.434 -14.669 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.855 7.269 -16.243 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.077 8.634 -15.435 1.00 0.00 H new ATOM 1134 N GLY A 74 -2.856 7.292 -10.842 1.00 0.00 N ATOM 1135 CA GLY A 74 -4.030 7.581 -10.027 1.00 0.00 C ATOM 1136 C GLY A 74 -3.712 8.085 -8.637 1.00 0.00 C ATOM 1137 O GLY A 74 -4.515 7.884 -7.726 1.00 0.00 O ATOM 0 H GLY A 74 -2.220 6.589 -10.465 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.640 8.324 -10.540 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.632 6.676 -9.944 1.00 0.00 H new ATOM 1141 N LYS A 75 -2.576 8.785 -8.490 1.00 0.00 N ATOM 1142 CA LYS A 75 -2.133 9.304 -7.191 1.00 0.00 C ATOM 1143 C LYS A 75 -1.999 8.151 -6.208 1.00 0.00 C ATOM 1144 O LYS A 75 -2.984 7.597 -5.719 1.00 0.00 O ATOM 1145 CB LYS A 75 -3.077 10.383 -6.656 1.00 0.00 C ATOM 1146 CG LYS A 75 -2.631 10.972 -5.325 1.00 0.00 C ATOM 1147 CD LYS A 75 -2.897 12.469 -5.249 1.00 0.00 C ATOM 1148 CE LYS A 75 -3.553 12.840 -3.931 1.00 0.00 C ATOM 1149 NZ LYS A 75 -3.735 14.307 -3.784 1.00 0.00 N ATOM 0 H LYS A 75 -1.946 9.004 -9.261 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.161 9.780 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.155 11.184 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.074 9.958 -6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.154 10.469 -4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.567 10.785 -5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.960 13.014 -5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.540 12.770 -6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.522 12.347 -3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.944 12.468 -3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.186 14.511 -2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.809 14.778 -3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.338 14.661 -4.554 1.00 0.00 H new ATOM 1163 N CYS A 76 -0.774 7.819 -5.882 1.00 0.00 N ATOM 1164 CA CYS A 76 -0.542 6.671 -5.020 1.00 0.00 C ATOM 1165 C CYS A 76 -0.107 7.087 -3.633 1.00 0.00 C ATOM 1166 O CYS A 76 0.249 8.241 -3.393 1.00 0.00 O ATOM 1167 CB CYS A 76 0.498 5.730 -5.630 1.00 0.00 C ATOM 1168 SG CYS A 76 0.177 5.278 -7.351 1.00 0.00 S ATOM 0 H CYS A 76 0.065 8.311 -6.189 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.492 6.143 -4.933 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.478 6.202 -5.568 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.544 4.821 -5.031 1.00 0.00 H new ATOM 0 HG CYS A 76 0.559 6.244 -8.132 1.00 0.00 H new ATOM 1174 N PHE A 77 -0.174 6.137 -2.723 1.00 0.00 N ATOM 1175 CA PHE A 77 0.212 6.350 -1.352 1.00 0.00 C ATOM 1176 C PHE A 77 0.892 5.109 -0.815 1.00 0.00 C ATOM 1177 O PHE A 77 0.279 4.052 -0.696 1.00 0.00 O ATOM 1178 CB PHE A 77 -1.009 6.687 -0.503 1.00 0.00 C ATOM 1179 CG PHE A 77 -1.648 7.986 -0.892 1.00 0.00 C ATOM 1180 CD1 PHE A 77 -2.865 8.004 -1.547 1.00 0.00 C ATOM 1181 CD2 PHE A 77 -1.022 9.187 -0.617 1.00 0.00 C ATOM 1182 CE1 PHE A 77 -3.450 9.196 -1.920 1.00 0.00 C ATOM 1183 CE2 PHE A 77 -1.602 10.384 -0.985 1.00 0.00 C ATOM 1184 CZ PHE A 77 -2.818 10.387 -1.638 1.00 0.00 C ATOM 0 H PHE A 77 -0.501 5.191 -2.920 1.00 0.00 H new ATOM 0 HA PHE A 77 0.907 7.188 -1.307 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.742 5.885 -0.595 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.715 6.732 0.546 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.364 7.073 -1.770 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.069 9.189 -0.109 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.401 9.196 -2.432 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.105 11.317 -0.762 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.274 11.322 -1.928 1.00 0.00 H new ATOM 1194 N PHE A 78 2.169 5.233 -0.530 1.00 0.00 N ATOM 1195 CA PHE A 78 2.925 4.123 0.010 1.00 0.00 C ATOM 1196 C PHE A 78 2.703 4.086 1.504 1.00 0.00 C ATOM 1197 O PHE A 78 3.321 4.840 2.260 1.00 0.00 O ATOM 1198 CB PHE A 78 4.412 4.265 -0.312 1.00 0.00 C ATOM 1199 CG PHE A 78 5.243 3.063 0.042 1.00 0.00 C ATOM 1200 CD1 PHE A 78 5.316 1.982 -0.819 1.00 0.00 C ATOM 1201 CD2 PHE A 78 5.962 3.023 1.224 1.00 0.00 C ATOM 1202 CE1 PHE A 78 6.087 0.882 -0.507 1.00 0.00 C ATOM 1203 CE2 PHE A 78 6.736 1.925 1.542 1.00 0.00 C ATOM 1204 CZ PHE A 78 6.799 0.853 0.674 1.00 0.00 C ATOM 0 H PHE A 78 2.706 6.090 -0.663 1.00 0.00 H new ATOM 0 HA PHE A 78 2.586 3.191 -0.442 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.523 4.467 -1.377 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.805 5.132 0.219 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.763 2.000 -1.746 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.917 3.860 1.905 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.133 0.044 -1.187 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.291 1.905 2.468 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.405 -0.007 0.919 1.00 0.00 H new ATOM 1214 N ILE A 79 1.787 3.244 1.922 1.00 0.00 N ATOM 1215 CA ILE A 79 1.469 3.122 3.325 1.00 0.00 C ATOM 1216 C ILE A 79 2.239 2.010 3.951 1.00 0.00 C ATOM 1217 O ILE A 79 2.777 1.118 3.294 1.00 0.00 O ATOM 1218 CB ILE A 79 -0.020 2.840 3.594 1.00 0.00 C ATOM 1219 CG1 ILE A 79 -0.316 1.357 3.326 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.912 3.763 2.778 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -1.465 1.102 2.387 1.00 0.00 C ATOM 0 H ILE A 79 1.248 2.632 1.309 1.00 0.00 H new ATOM 0 HA ILE A 79 1.733 4.088 3.756 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.242 3.047 4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.580 0.890 2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.526 0.865 4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.958 3.539 2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.702 4.799 3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.717 3.613 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.598 0.028 2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.376 1.534 2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.253 1.559 1.420 1.00 0.00 H new ATOM 1233 N HIS A 80 2.253 2.099 5.235 1.00 0.00 N ATOM 1234 CA HIS A 80 2.877 1.145 6.070 1.00 0.00 C ATOM 1235 C HIS A 80 1.766 0.569 6.937 1.00 0.00 C ATOM 1236 O HIS A 80 1.288 1.219 7.871 1.00 0.00 O ATOM 1237 CB HIS A 80 3.982 1.861 6.839 1.00 0.00 C ATOM 1238 CG HIS A 80 4.445 1.170 8.068 1.00 0.00 C ATOM 1239 ND1 HIS A 80 5.549 0.356 8.120 1.00 0.00 N ATOM 1240 CD2 HIS A 80 3.937 1.205 9.301 1.00 0.00 C ATOM 1241 CE1 HIS A 80 5.702 -0.088 9.352 1.00 0.00 C ATOM 1242 NE2 HIS A 80 4.730 0.417 10.099 1.00 0.00 N ATOM 0 H HIS A 80 1.814 2.865 5.746 1.00 0.00 H new ATOM 0 HA HIS A 80 3.359 0.318 5.549 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.835 1.998 6.175 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.628 2.855 7.112 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.155 0.130 7.331 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.061 1.753 9.615 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.484 -0.749 9.694 1.00 0.00 H new ATOM 1251 N TYR A 81 1.301 -0.611 6.540 1.00 0.00 N ATOM 1252 CA TYR A 81 0.200 -1.298 7.213 1.00 0.00 C ATOM 1253 C TYR A 81 0.398 -1.366 8.720 1.00 0.00 C ATOM 1254 O TYR A 81 1.350 -1.975 9.212 1.00 0.00 O ATOM 1255 CB TYR A 81 0.025 -2.707 6.646 1.00 0.00 C ATOM 1256 CG TYR A 81 -0.794 -2.745 5.378 1.00 0.00 C ATOM 1257 CD1 TYR A 81 -0.184 -2.758 4.131 1.00 0.00 C ATOM 1258 CD2 TYR A 81 -2.179 -2.763 5.430 1.00 0.00 C ATOM 1259 CE1 TYR A 81 -0.934 -2.789 2.969 1.00 0.00 C ATOM 1260 CE2 TYR A 81 -2.937 -2.796 4.273 1.00 0.00 C ATOM 1261 CZ TYR A 81 -2.310 -2.806 3.045 1.00 0.00 C ATOM 1262 OH TYR A 81 -3.059 -2.836 1.891 1.00 0.00 O ATOM 0 H TYR A 81 1.677 -1.121 5.740 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.702 -0.716 7.026 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.007 -3.136 6.448 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.452 -3.336 7.397 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.894 -2.744 4.067 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -2.675 -2.751 6.389 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.444 -2.800 2.007 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -4.015 -2.814 4.331 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.559 -3.303 1.189 1.00 0.00 H new ATOM 1272 N GLN A 82 -0.506 -0.720 9.447 1.00 0.00 N ATOM 1273 CA GLN A 82 -0.445 -0.715 10.899 1.00 0.00 C ATOM 1274 C GLN A 82 -0.719 -2.103 11.442 1.00 0.00 C ATOM 1275 O GLN A 82 -1.784 -2.672 11.207 1.00 0.00 O ATOM 1276 CB GLN A 82 -1.455 0.259 11.495 1.00 0.00 C ATOM 1277 CG GLN A 82 -0.816 1.437 12.207 1.00 0.00 C ATOM 1278 CD GLN A 82 -0.355 2.499 11.240 1.00 0.00 C ATOM 1279 OE1 GLN A 82 -1.279 3.346 10.840 1.00 0.00 O flip ATOM 1280 NE2 GLN A 82 0.810 2.545 10.844 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.287 -0.195 9.054 1.00 0.00 H new ATOM 0 HA GLN A 82 0.558 -0.397 11.182 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.100 0.632 10.700 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.093 -0.277 12.198 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.531 1.869 12.906 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.033 1.088 12.795 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.491 1.866 11.183 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.094 3.262 10.177 1.00 0.00 H new ATOM 1289 N GLY A 83 0.243 -2.646 12.159 1.00 0.00 N ATOM 1290 CA GLY A 83 0.074 -3.961 12.723 1.00 0.00 C ATOM 1291 C GLY A 83 1.043 -4.957 12.123 1.00 0.00 C ATOM 1292 O GLY A 83 1.279 -6.030 12.683 1.00 0.00 O ATOM 0 H GLY A 83 1.138 -2.201 12.361 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.221 -3.916 13.802 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.948 -4.301 12.554 1.00 0.00 H new ATOM 1296 N TRP A 84 1.595 -4.600 10.973 1.00 0.00 N ATOM 1297 CA TRP A 84 2.553 -5.445 10.276 1.00 0.00 C ATOM 1298 C TRP A 84 3.920 -4.764 10.277 1.00 0.00 C ATOM 1299 O TRP A 84 4.134 -3.801 11.020 1.00 0.00 O ATOM 1300 CB TRP A 84 2.087 -5.713 8.839 1.00 0.00 C ATOM 1301 CG TRP A 84 0.821 -6.515 8.749 1.00 0.00 C ATOM 1302 CD1 TRP A 84 -0.390 -6.093 8.273 1.00 0.00 C ATOM 1303 CD2 TRP A 84 0.640 -7.883 9.139 1.00 0.00 C ATOM 1304 NE1 TRP A 84 -1.308 -7.112 8.348 1.00 0.00 N ATOM 1305 CE2 TRP A 84 -0.701 -8.216 8.876 1.00 0.00 C ATOM 1306 CE3 TRP A 84 1.480 -8.858 9.686 1.00 0.00 C ATOM 1307 CZ2 TRP A 84 -1.221 -9.479 9.145 1.00 0.00 C ATOM 1308 CZ3 TRP A 84 0.962 -10.111 9.950 1.00 0.00 C ATOM 1309 CH2 TRP A 84 -0.377 -10.412 9.678 1.00 0.00 C ATOM 0 H TRP A 84 1.393 -3.720 10.498 1.00 0.00 H new ATOM 0 HA TRP A 84 2.628 -6.403 10.790 1.00 0.00 H new ATOM 0 HB2 TRP A 84 1.938 -4.760 8.332 1.00 0.00 H new ATOM 0 HB3 TRP A 84 2.877 -6.239 8.303 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.595 -5.103 7.893 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -2.284 -7.054 8.057 1.00 0.00 H new ATOM 0 HE3 TRP A 84 2.515 -8.635 9.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -2.255 -9.713 8.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 1.601 -10.871 10.374 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.751 -11.402 9.894 1.00 0.00 H new ATOM 1320 N LYS A 85 4.848 -5.253 9.470 1.00 0.00 N ATOM 1321 CA LYS A 85 6.169 -4.644 9.406 1.00 0.00 C ATOM 1322 C LYS A 85 6.350 -3.908 8.085 1.00 0.00 C ATOM 1323 O LYS A 85 5.473 -3.943 7.229 1.00 0.00 O ATOM 1324 CB LYS A 85 7.274 -5.688 9.599 1.00 0.00 C ATOM 1325 CG LYS A 85 7.208 -6.864 8.637 1.00 0.00 C ATOM 1326 CD LYS A 85 8.431 -7.758 8.778 1.00 0.00 C ATOM 1327 CE LYS A 85 8.677 -8.153 10.226 1.00 0.00 C ATOM 1328 NZ LYS A 85 9.904 -8.974 10.375 1.00 0.00 N ATOM 0 H LYS A 85 4.716 -6.058 8.858 1.00 0.00 H new ATOM 0 HA LYS A 85 6.248 -3.924 10.221 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.242 -5.199 9.488 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.224 -6.067 10.620 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.306 -7.444 8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.139 -6.497 7.613 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.297 -8.655 8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.307 -7.240 8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.765 -7.255 10.837 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.819 -8.711 10.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.036 -9.222 11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.810 -9.843 9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.727 -8.432 10.041 1.00 0.00 H new ATOM 1342 N SER A 86 7.499 -3.261 7.928 1.00 0.00 N ATOM 1343 CA SER A 86 7.813 -2.490 6.728 1.00 0.00 C ATOM 1344 C SER A 86 7.813 -3.356 5.459 1.00 0.00 C ATOM 1345 O SER A 86 7.759 -2.842 4.343 1.00 0.00 O ATOM 1346 CB SER A 86 9.171 -1.820 6.911 1.00 0.00 C ATOM 1347 OG SER A 86 9.494 -1.720 8.293 1.00 0.00 O ATOM 0 H SER A 86 8.240 -3.255 8.629 1.00 0.00 H new ATOM 0 HA SER A 86 7.035 -1.738 6.595 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.939 -2.394 6.392 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.157 -0.827 6.462 1.00 0.00 H new ATOM 0 HG SER A 86 10.369 -1.290 8.394 1.00 0.00 H new ATOM 1353 N SER A 87 7.874 -4.668 5.628 1.00 0.00 N ATOM 1354 CA SER A 87 7.866 -5.582 4.495 1.00 0.00 C ATOM 1355 C SER A 87 6.455 -5.723 3.923 1.00 0.00 C ATOM 1356 O SER A 87 6.257 -6.310 2.860 1.00 0.00 O ATOM 1357 CB SER A 87 8.407 -6.941 4.926 1.00 0.00 C ATOM 1358 OG SER A 87 9.619 -6.791 5.643 1.00 0.00 O ATOM 0 H SER A 87 7.930 -5.124 6.539 1.00 0.00 H new ATOM 0 HA SER A 87 8.507 -5.177 3.712 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.671 -7.451 5.548 1.00 0.00 H new ATOM 0 HB3 SER A 87 8.572 -7.567 4.049 1.00 0.00 H new ATOM 0 HG SER A 87 9.951 -7.673 5.913 1.00 0.00 H new ATOM 1364 N TRP A 88 5.484 -5.175 4.642 1.00 0.00 N ATOM 1365 CA TRP A 88 4.093 -5.222 4.222 1.00 0.00 C ATOM 1366 C TRP A 88 3.684 -3.888 3.611 1.00 0.00 C ATOM 1367 O TRP A 88 2.559 -3.728 3.139 1.00 0.00 O ATOM 1368 CB TRP A 88 3.189 -5.536 5.412 1.00 0.00 C ATOM 1369 CG TRP A 88 2.970 -7.001 5.639 1.00 0.00 C ATOM 1370 CD1 TRP A 88 3.776 -7.861 6.335 1.00 0.00 C ATOM 1371 CD2 TRP A 88 1.863 -7.777 5.175 1.00 0.00 C ATOM 1372 NE1 TRP A 88 3.232 -9.123 6.325 1.00 0.00 N ATOM 1373 CE2 TRP A 88 2.062 -9.097 5.617 1.00 0.00 C ATOM 1374 CE3 TRP A 88 0.723 -7.484 4.422 1.00 0.00 C ATOM 1375 CZ2 TRP A 88 1.163 -10.121 5.335 1.00 0.00 C ATOM 1376 CZ3 TRP A 88 -0.168 -8.502 4.142 1.00 0.00 C ATOM 1377 CH2 TRP A 88 0.057 -9.806 4.596 1.00 0.00 C ATOM 0 H TRP A 88 5.638 -4.689 5.526 1.00 0.00 H new ATOM 0 HA TRP A 88 3.985 -6.009 3.475 1.00 0.00 H new ATOM 0 HB2 TRP A 88 3.624 -5.100 6.311 1.00 0.00 H new ATOM 0 HB3 TRP A 88 2.223 -5.054 5.259 1.00 0.00 H new ATOM 0 HD1 TRP A 88 4.702 -7.588 6.820 1.00 0.00 H new ATOM 0 HE1 TRP A 88 3.635 -9.946 6.773 1.00 0.00 H new ATOM 0 HE3 TRP A 88 0.542 -6.481 4.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 1.333 -11.128 5.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -1.054 -8.287 3.562 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -0.658 -10.580 4.358 1.00 0.00 H new ATOM 1388 N ASP A 89 4.611 -2.937 3.630 1.00 0.00 N ATOM 1389 CA ASP A 89 4.362 -1.606 3.087 1.00 0.00 C ATOM 1390 C ASP A 89 4.150 -1.693 1.580 1.00 0.00 C ATOM 1391 O ASP A 89 4.955 -2.293 0.864 1.00 0.00 O ATOM 1392 CB ASP A 89 5.532 -0.667 3.414 1.00 0.00 C ATOM 1393 CG ASP A 89 5.745 -0.471 4.907 1.00 0.00 C ATOM 1394 OD1 ASP A 89 4.967 -1.030 5.709 1.00 0.00 O ATOM 1395 OD2 ASP A 89 6.697 0.246 5.293 1.00 0.00 O ATOM 0 H ASP A 89 5.546 -3.064 4.017 1.00 0.00 H new ATOM 0 HA ASP A 89 3.460 -1.199 3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.445 -1.068 2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.352 0.302 2.949 1.00 0.00 H new ATOM 1400 N GLU A 90 3.068 -1.095 1.096 1.00 0.00 N ATOM 1401 CA GLU A 90 2.745 -1.147 -0.326 1.00 0.00 C ATOM 1402 C GLU A 90 2.159 0.169 -0.821 1.00 0.00 C ATOM 1403 O GLU A 90 1.824 1.054 -0.032 1.00 0.00 O ATOM 1404 CB GLU A 90 1.749 -2.279 -0.598 1.00 0.00 C ATOM 1405 CG GLU A 90 2.405 -3.593 -0.980 1.00 0.00 C ATOM 1406 CD GLU A 90 2.085 -4.007 -2.400 1.00 0.00 C ATOM 1407 OE1 GLU A 90 2.802 -3.574 -3.327 1.00 0.00 O ATOM 1408 OE2 GLU A 90 1.112 -4.765 -2.601 1.00 0.00 O ATOM 0 H GLU A 90 2.402 -0.571 1.663 1.00 0.00 H new ATOM 0 HA GLU A 90 3.674 -1.331 -0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.138 -2.434 0.291 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.076 -1.973 -1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.485 -3.503 -0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 90 2.075 -4.373 -0.294 1.00 0.00 H new ATOM 1415 N TRP A 91 2.040 0.283 -2.141 1.00 0.00 N ATOM 1416 CA TRP A 91 1.488 1.474 -2.776 1.00 0.00 C ATOM 1417 C TRP A 91 -0.009 1.309 -3.019 1.00 0.00 C ATOM 1418 O TRP A 91 -0.427 0.426 -3.766 1.00 0.00 O ATOM 1419 CB TRP A 91 2.149 1.711 -4.135 1.00 0.00 C ATOM 1420 CG TRP A 91 3.535 2.287 -4.100 1.00 0.00 C ATOM 1421 CD1 TRP A 91 4.707 1.610 -4.285 1.00 0.00 C ATOM 1422 CD2 TRP A 91 3.895 3.662 -3.908 1.00 0.00 C ATOM 1423 NE1 TRP A 91 5.769 2.478 -4.224 1.00 0.00 N ATOM 1424 CE2 TRP A 91 5.299 3.740 -3.990 1.00 0.00 C ATOM 1425 CE3 TRP A 91 3.173 4.835 -3.674 1.00 0.00 C ATOM 1426 CZ2 TRP A 91 5.986 4.940 -3.856 1.00 0.00 C ATOM 1427 CZ3 TRP A 91 3.863 6.027 -3.535 1.00 0.00 C ATOM 1428 CH2 TRP A 91 5.256 6.069 -3.629 1.00 0.00 C ATOM 0 H TRP A 91 2.322 -0.445 -2.797 1.00 0.00 H new ATOM 0 HA TRP A 91 1.674 2.315 -2.108 1.00 0.00 H new ATOM 0 HB2 TRP A 91 2.184 0.762 -4.670 1.00 0.00 H new ATOM 0 HB3 TRP A 91 1.513 2.380 -4.715 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.787 0.546 -4.455 1.00 0.00 H new ATOM 0 HE1 TRP A 91 6.750 2.222 -4.335 1.00 0.00 H new ATOM 0 HE3 TRP A 91 2.096 4.812 -3.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 7.063 4.977 -3.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.315 6.939 -3.351 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.765 7.015 -3.520 1.00 0.00 H new ATOM 1439 N VAL A 92 -0.814 2.145 -2.392 1.00 0.00 N ATOM 1440 CA VAL A 92 -2.253 2.091 -2.604 1.00 0.00 C ATOM 1441 C VAL A 92 -2.707 3.343 -3.332 1.00 0.00 C ATOM 1442 O VAL A 92 -2.166 4.422 -3.118 1.00 0.00 O ATOM 1443 CB VAL A 92 -3.057 1.930 -1.298 1.00 0.00 C ATOM 1444 CG1 VAL A 92 -2.836 0.549 -0.708 1.00 0.00 C ATOM 1445 CG2 VAL A 92 -2.693 3.011 -0.296 1.00 0.00 C ATOM 0 H VAL A 92 -0.504 2.863 -1.738 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.450 1.203 -3.205 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.116 2.039 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.410 0.451 0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.162 -0.208 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.777 0.411 -0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.275 2.873 0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.630 2.947 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.912 3.990 -0.722 1.00 0.00 H new ATOM 1455 N GLY A 93 -3.687 3.200 -4.201 1.00 0.00 N ATOM 1456 CA GLY A 93 -4.170 4.344 -4.942 1.00 0.00 C ATOM 1457 C GLY A 93 -5.507 4.815 -4.430 1.00 0.00 C ATOM 1458 O GLY A 93 -6.134 4.115 -3.642 1.00 0.00 O ATOM 0 H GLY A 93 -4.157 2.319 -4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.446 5.156 -4.871 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.255 4.085 -5.997 1.00 0.00 H new ATOM 1462 N TYR A 94 -5.937 5.992 -4.893 1.00 0.00 N ATOM 1463 CA TYR A 94 -7.225 6.624 -4.521 1.00 0.00 C ATOM 1464 C TYR A 94 -8.429 5.704 -4.692 1.00 0.00 C ATOM 1465 O TYR A 94 -9.548 6.031 -4.304 1.00 0.00 O ATOM 1466 CB TYR A 94 -7.444 7.836 -5.409 1.00 0.00 C ATOM 1467 CG TYR A 94 -7.223 9.137 -4.706 1.00 0.00 C ATOM 1468 CD1 TYR A 94 -7.343 10.331 -5.388 1.00 0.00 C ATOM 1469 CD2 TYR A 94 -6.899 9.169 -3.361 1.00 0.00 C ATOM 1470 CE1 TYR A 94 -7.149 11.530 -4.752 1.00 0.00 C ATOM 1471 CE2 TYR A 94 -6.701 10.362 -2.711 1.00 0.00 C ATOM 1472 CZ TYR A 94 -6.825 11.546 -3.408 1.00 0.00 C ATOM 1473 OH TYR A 94 -6.624 12.749 -2.768 1.00 0.00 O ATOM 0 H TYR A 94 -5.395 6.551 -5.551 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.153 6.882 -3.464 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.772 7.776 -6.265 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.461 7.811 -5.800 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.593 10.321 -6.438 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.801 8.242 -2.815 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.249 12.457 -5.298 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.450 10.373 -1.661 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.860 12.659 -1.821 1.00 0.00 H new ATOM 1483 N ASP A 95 -8.165 4.567 -5.258 1.00 0.00 N ATOM 1484 CA ASP A 95 -9.190 3.571 -5.540 1.00 0.00 C ATOM 1485 C ASP A 95 -9.241 2.531 -4.427 1.00 0.00 C ATOM 1486 O ASP A 95 -10.270 1.899 -4.190 1.00 0.00 O ATOM 1487 CB ASP A 95 -8.909 2.907 -6.898 1.00 0.00 C ATOM 1488 CG ASP A 95 -9.691 1.623 -7.110 1.00 0.00 C ATOM 1489 OD1 ASP A 95 -9.121 0.538 -6.889 1.00 0.00 O ATOM 1490 OD2 ASP A 95 -10.875 1.694 -7.506 1.00 0.00 O ATOM 0 H ASP A 95 -7.227 4.288 -5.546 1.00 0.00 H new ATOM 0 HA ASP A 95 -10.162 4.062 -5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -9.153 3.609 -7.696 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.843 2.693 -6.977 1.00 0.00 H new ATOM 1495 N ARG A 96 -8.136 2.386 -3.714 1.00 0.00 N ATOM 1496 CA ARG A 96 -8.061 1.417 -2.635 1.00 0.00 C ATOM 1497 C ARG A 96 -7.935 2.133 -1.304 1.00 0.00 C ATOM 1498 O ARG A 96 -8.362 1.631 -0.269 1.00 0.00 O ATOM 1499 CB ARG A 96 -6.868 0.477 -2.837 1.00 0.00 C ATOM 1500 CG ARG A 96 -6.960 -0.371 -4.097 1.00 0.00 C ATOM 1501 CD ARG A 96 -8.096 -1.376 -4.010 1.00 0.00 C ATOM 1502 NE ARG A 96 -8.822 -1.478 -5.272 1.00 0.00 N ATOM 1503 CZ ARG A 96 -9.381 -2.593 -5.734 1.00 0.00 C ATOM 1504 NH1 ARG A 96 -9.300 -3.729 -5.048 1.00 0.00 N ATOM 1505 NH2 ARG A 96 -10.038 -2.564 -6.887 1.00 0.00 N ATOM 0 H ARG A 96 -7.283 2.925 -3.862 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.975 0.823 -2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.953 1.069 -2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.786 -0.182 -1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.110 0.275 -4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.018 -0.897 -4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.697 -2.354 -3.739 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.783 -1.081 -3.217 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.907 -0.635 -5.840 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.805 -3.752 -4.157 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.733 -4.577 -5.413 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.111 -1.692 -7.411 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.470 -3.414 -7.249 1.00 0.00 H new ATOM 1519 N ILE A 97 -7.351 3.315 -1.338 1.00 0.00 N ATOM 1520 CA ILE A 97 -7.161 4.096 -0.139 1.00 0.00 C ATOM 1521 C ILE A 97 -8.370 4.987 0.137 1.00 0.00 C ATOM 1522 O ILE A 97 -8.976 5.545 -0.780 1.00 0.00 O ATOM 1523 CB ILE A 97 -5.883 4.952 -0.223 1.00 0.00 C ATOM 1524 CG1 ILE A 97 -5.651 5.685 1.074 1.00 0.00 C ATOM 1525 CG2 ILE A 97 -5.972 5.952 -1.345 1.00 0.00 C ATOM 1526 CD1 ILE A 97 -4.406 6.531 1.063 1.00 0.00 C ATOM 0 H ILE A 97 -7.000 3.754 -2.189 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.051 3.394 0.688 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.049 4.277 -0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.512 6.320 1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.583 4.961 1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.056 6.542 -1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.102 5.427 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.823 6.612 -1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.298 7.031 2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.537 5.898 0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.480 7.278 0.272 1.00 0.00 H new ATOM 1538 N ARG A 98 -8.719 5.085 1.405 1.00 0.00 N ATOM 1539 CA ARG A 98 -9.843 5.889 1.851 1.00 0.00 C ATOM 1540 C ARG A 98 -9.424 6.736 3.043 1.00 0.00 C ATOM 1541 O ARG A 98 -8.337 6.550 3.587 1.00 0.00 O ATOM 1542 CB ARG A 98 -11.011 4.984 2.242 1.00 0.00 C ATOM 1543 CG ARG A 98 -11.498 4.082 1.117 1.00 0.00 C ATOM 1544 CD ARG A 98 -11.966 4.891 -0.084 1.00 0.00 C ATOM 1545 NE ARG A 98 -13.076 4.249 -0.782 1.00 0.00 N ATOM 1546 CZ ARG A 98 -13.328 4.404 -2.080 1.00 0.00 C ATOM 1547 NH1 ARG A 98 -12.496 5.099 -2.845 1.00 0.00 N ATOM 1548 NH2 ARG A 98 -14.402 3.846 -2.619 1.00 0.00 N ATOM 0 H ARG A 98 -8.228 4.606 2.160 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.160 6.543 1.038 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.710 4.364 3.087 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.840 5.604 2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.695 3.411 0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.316 3.458 1.478 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.272 5.884 0.246 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -11.134 5.027 -0.775 1.00 0.00 H new ATOM 0 HE ARG A 98 -13.696 3.645 -0.242 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.659 5.517 -2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.693 5.215 -3.839 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.037 3.297 -2.039 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -14.594 3.965 -3.614 1.00 0.00 H new ATOM 1562 N ALA A 99 -10.299 7.630 3.476 1.00 0.00 N ATOM 1563 CA ALA A 99 -10.011 8.487 4.589 1.00 0.00 C ATOM 1564 C ALA A 99 -10.389 7.749 5.831 1.00 0.00 C ATOM 1565 O ALA A 99 -11.539 7.332 5.994 1.00 0.00 O ATOM 1566 CB ALA A 99 -10.779 9.794 4.500 1.00 0.00 C ATOM 0 H ALA A 99 -11.220 7.773 3.061 1.00 0.00 H new ATOM 0 HA ALA A 99 -8.951 8.742 4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.536 10.418 5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.504 10.316 3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.849 9.587 4.493 1.00 0.00 H new ATOM 1572 N TYR A 100 -9.427 7.547 6.677 1.00 0.00 N ATOM 1573 CA TYR A 100 -9.659 6.839 7.897 1.00 0.00 C ATOM 1574 C TYR A 100 -10.464 7.716 8.848 1.00 0.00 C ATOM 1575 O TYR A 100 -9.930 8.570 9.558 1.00 0.00 O ATOM 1576 CB TYR A 100 -8.307 6.433 8.457 1.00 0.00 C ATOM 1577 CG TYR A 100 -8.309 5.945 9.892 1.00 0.00 C ATOM 1578 CD1 TYR A 100 -8.787 4.679 10.211 1.00 0.00 C ATOM 1579 CD2 TYR A 100 -7.813 6.734 10.920 1.00 0.00 C ATOM 1580 CE1 TYR A 100 -8.771 4.220 11.510 1.00 0.00 C ATOM 1581 CE2 TYR A 100 -7.799 6.282 12.224 1.00 0.00 C ATOM 1582 CZ TYR A 100 -8.276 5.026 12.513 1.00 0.00 C ATOM 1583 OH TYR A 100 -8.246 4.564 13.808 1.00 0.00 O ATOM 0 H TYR A 100 -8.467 7.865 6.543 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.248 5.936 7.740 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.894 5.646 7.826 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -7.633 7.287 8.384 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -9.177 4.045 9.428 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -7.431 7.719 10.696 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -9.144 3.233 11.741 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.415 6.912 13.013 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.750 3.720 13.843 1.00 0.00 H new ATOM 1593 N ASN A 101 -11.766 7.496 8.819 1.00 0.00 N ATOM 1594 CA ASN A 101 -12.709 8.223 9.641 1.00 0.00 C ATOM 1595 C ASN A 101 -14.028 7.456 9.675 1.00 0.00 C ATOM 1596 O ASN A 101 -14.170 6.436 8.999 1.00 0.00 O ATOM 1597 CB ASN A 101 -12.902 9.662 9.131 1.00 0.00 C ATOM 1598 CG ASN A 101 -13.403 9.750 7.702 1.00 0.00 C ATOM 1599 OD1 ASN A 101 -14.382 9.108 7.327 1.00 0.00 O ATOM 1600 ND2 ASN A 101 -12.729 10.551 6.892 1.00 0.00 N ATOM 0 H ASN A 101 -12.201 6.798 8.215 1.00 0.00 H new ATOM 0 HA ASN A 101 -12.318 8.304 10.655 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -13.607 10.176 9.784 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.953 10.193 9.205 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.017 10.652 5.919 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -11.921 11.067 7.241 1.00 0.00 H new ATOM 1607 N GLU A 102 -14.999 7.976 10.408 1.00 0.00 N ATOM 1608 CA GLU A 102 -16.294 7.315 10.596 1.00 0.00 C ATOM 1609 C GLU A 102 -17.081 7.091 9.297 1.00 0.00 C ATOM 1610 O GLU A 102 -18.134 6.454 9.319 1.00 0.00 O ATOM 1611 CB GLU A 102 -17.150 8.121 11.576 1.00 0.00 C ATOM 1612 CG GLU A 102 -16.437 8.466 12.877 1.00 0.00 C ATOM 1613 CD GLU A 102 -15.969 7.236 13.628 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -14.744 7.012 13.715 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -16.829 6.492 14.144 1.00 0.00 O ATOM 0 H GLU A 102 -14.918 8.870 10.893 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.070 6.325 10.994 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -17.468 9.044 11.091 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -18.052 7.554 11.806 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.579 9.103 12.659 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -17.109 9.042 13.513 1.00 0.00 H new ATOM 1622 N GLU A 103 -16.598 7.596 8.169 1.00 0.00 N ATOM 1623 CA GLU A 103 -17.322 7.408 6.916 1.00 0.00 C ATOM 1624 C GLU A 103 -17.035 6.052 6.280 1.00 0.00 C ATOM 1625 O GLU A 103 -17.948 5.256 6.077 1.00 0.00 O ATOM 1626 CB GLU A 103 -17.017 8.512 5.903 1.00 0.00 C ATOM 1627 CG GLU A 103 -17.880 8.409 4.653 1.00 0.00 C ATOM 1628 CD GLU A 103 -17.248 9.025 3.424 1.00 0.00 C ATOM 1629 OE1 GLU A 103 -16.015 9.219 3.406 1.00 0.00 O ATOM 1630 OE2 GLU A 103 -17.991 9.318 2.461 1.00 0.00 O ATOM 0 H GLU A 103 -15.730 8.126 8.093 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.379 7.454 7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -17.175 9.484 6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.966 8.461 5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.091 7.358 4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -18.837 8.896 4.842 1.00 0.00 H new ATOM 1637 N ASN A 104 -15.771 5.776 5.995 1.00 0.00 N ATOM 1638 CA ASN A 104 -15.418 4.523 5.331 1.00 0.00 C ATOM 1639 C ASN A 104 -15.307 3.389 6.316 1.00 0.00 C ATOM 1640 O ASN A 104 -15.554 2.233 5.978 1.00 0.00 O ATOM 1641 CB ASN A 104 -14.129 4.660 4.532 1.00 0.00 C ATOM 1642 CG ASN A 104 -14.402 4.608 3.047 1.00 0.00 C ATOM 1643 OD1 ASN A 104 -14.354 3.554 2.418 1.00 0.00 O ATOM 1644 ND2 ASN A 104 -14.712 5.750 2.484 1.00 0.00 N ATOM 0 H ASN A 104 -14.983 6.388 6.207 1.00 0.00 H new ATOM 0 HA ASN A 104 -16.226 4.292 4.636 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -13.641 5.602 4.782 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -13.440 3.861 4.807 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -14.925 5.786 1.487 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -14.741 6.603 3.043 1.00 0.00 H new ATOM 1651 N ILE A 105 -14.957 3.718 7.543 1.00 0.00 N ATOM 1652 CA ILE A 105 -14.844 2.717 8.577 1.00 0.00 C ATOM 1653 C ILE A 105 -16.211 2.124 8.834 1.00 0.00 C ATOM 1654 O ILE A 105 -16.338 0.969 9.228 1.00 0.00 O ATOM 1655 CB ILE A 105 -14.301 3.317 9.858 1.00 0.00 C ATOM 1656 CG1 ILE A 105 -12.930 3.911 9.594 1.00 0.00 C ATOM 1657 CG2 ILE A 105 -14.235 2.274 10.957 1.00 0.00 C ATOM 1658 CD1 ILE A 105 -12.291 4.448 10.832 1.00 0.00 C ATOM 0 H ILE A 105 -14.747 4.669 7.845 1.00 0.00 H new ATOM 0 HA ILE A 105 -14.152 1.943 8.245 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.973 4.107 10.194 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.285 3.148 9.158 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -13.020 4.711 8.859 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -13.842 2.728 11.867 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -15.235 1.884 11.149 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -13.581 1.459 10.647 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.313 4.861 10.587 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.920 5.231 11.256 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -12.174 3.644 11.559 1.00 0.00 H new ATOM 1670 N ALA A 106 -17.234 2.935 8.569 1.00 0.00 N ATOM 1671 CA ALA A 106 -18.608 2.510 8.736 1.00 0.00 C ATOM 1672 C ALA A 106 -18.861 1.314 7.835 1.00 0.00 C ATOM 1673 O ALA A 106 -19.638 0.417 8.165 1.00 0.00 O ATOM 1674 CB ALA A 106 -19.559 3.653 8.429 1.00 0.00 C ATOM 0 H ALA A 106 -17.128 3.893 8.236 1.00 0.00 H new ATOM 0 HA ALA A 106 -18.785 2.216 9.771 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -20.587 3.316 8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -19.361 4.483 9.107 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -19.413 3.982 7.400 1.00 0.00 H new ATOM 1680 N MET A 107 -18.179 1.304 6.694 1.00 0.00 N ATOM 1681 CA MET A 107 -18.282 0.193 5.772 1.00 0.00 C ATOM 1682 C MET A 107 -17.370 -0.904 6.272 1.00 0.00 C ATOM 1683 O MET A 107 -17.770 -2.051 6.325 1.00 0.00 O ATOM 1684 CB MET A 107 -17.895 0.575 4.340 1.00 0.00 C ATOM 1685 CG MET A 107 -18.414 -0.395 3.295 1.00 0.00 C ATOM 1686 SD MET A 107 -20.114 -0.916 3.585 1.00 0.00 S ATOM 1687 CE MET A 107 -20.197 -2.356 2.519 1.00 0.00 C ATOM 0 H MET A 107 -17.554 2.051 6.392 1.00 0.00 H new ATOM 0 HA MET A 107 -19.321 -0.134 5.735 1.00 0.00 H new ATOM 0 HB2 MET A 107 -18.279 1.572 4.122 1.00 0.00 H new ATOM 0 HB3 MET A 107 -16.809 0.628 4.267 1.00 0.00 H new ATOM 0 HG2 MET A 107 -18.347 0.071 2.312 1.00 0.00 H new ATOM 0 HG3 MET A 107 -17.771 -1.275 3.275 1.00 0.00 H new ATOM 0 HE1 MET A 107 -21.240 -2.630 2.358 1.00 0.00 H new ATOM 0 HE2 MET A 107 -19.729 -2.127 1.561 1.00 0.00 H new ATOM 0 HE3 MET A 107 -19.672 -3.188 2.989 1.00 0.00 H new ATOM 1697 N LYS A 108 -16.145 -0.519 6.655 1.00 0.00 N ATOM 1698 CA LYS A 108 -15.139 -1.443 7.191 1.00 0.00 C ATOM 1699 C LYS A 108 -15.751 -2.407 8.213 1.00 0.00 C ATOM 1700 O LYS A 108 -15.392 -3.581 8.261 1.00 0.00 O ATOM 1701 CB LYS A 108 -14.018 -0.629 7.838 1.00 0.00 C ATOM 1702 CG LYS A 108 -12.838 -1.448 8.337 1.00 0.00 C ATOM 1703 CD LYS A 108 -12.093 -0.705 9.438 1.00 0.00 C ATOM 1704 CE LYS A 108 -10.610 -1.038 9.450 1.00 0.00 C ATOM 1705 NZ LYS A 108 -10.279 -2.123 10.410 1.00 0.00 N ATOM 0 H LYS A 108 -15.823 0.447 6.601 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.742 -2.044 6.373 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.655 0.101 7.115 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -14.433 -0.068 8.676 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -13.189 -2.409 8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -12.160 -1.658 7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -12.222 0.369 9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -12.529 -0.958 10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -10.300 -1.336 8.449 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.042 -0.144 9.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -9.257 -2.313 10.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.549 -1.831 11.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -10.799 -2.986 10.151 1.00 0.00 H new ATOM 1719 N LYS A 109 -16.659 -1.890 9.039 1.00 0.00 N ATOM 1720 CA LYS A 109 -17.364 -2.708 10.041 1.00 0.00 C ATOM 1721 C LYS A 109 -18.151 -3.809 9.354 1.00 0.00 C ATOM 1722 O LYS A 109 -17.868 -4.995 9.528 1.00 0.00 O ATOM 1723 CB LYS A 109 -18.343 -1.869 10.875 1.00 0.00 C ATOM 1724 CG LYS A 109 -17.827 -0.503 11.283 1.00 0.00 C ATOM 1725 CD LYS A 109 -16.735 -0.595 12.329 1.00 0.00 C ATOM 1726 CE LYS A 109 -16.696 0.674 13.173 1.00 0.00 C ATOM 1727 NZ LYS A 109 -15.899 0.512 14.415 1.00 0.00 N ATOM 0 H LYS A 109 -16.929 -0.906 9.039 1.00 0.00 H new ATOM 0 HA LYS A 109 -16.606 -3.129 10.701 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -19.263 -1.738 10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -18.602 -2.427 11.775 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -17.444 0.016 10.405 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -18.652 0.094 11.672 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -16.909 -1.460 12.970 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -15.771 -0.746 11.844 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -16.276 1.487 12.580 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -17.714 0.963 13.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.906 1.403 14.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -16.313 -0.244 14.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.920 0.263 14.169 1.00 0.00 H new ATOM 1741 N ARG A 110 -19.136 -3.397 8.562 1.00 0.00 N ATOM 1742 CA ARG A 110 -19.973 -4.329 7.820 1.00 0.00 C ATOM 1743 C ARG A 110 -19.104 -5.171 6.906 1.00 0.00 C ATOM 1744 O ARG A 110 -19.388 -6.325 6.644 1.00 0.00 O ATOM 1745 CB ARG A 110 -21.005 -3.561 6.988 1.00 0.00 C ATOM 1746 CG ARG A 110 -22.022 -4.448 6.284 1.00 0.00 C ATOM 1747 CD ARG A 110 -22.806 -3.676 5.233 1.00 0.00 C ATOM 1748 NE ARG A 110 -24.240 -3.651 5.519 1.00 0.00 N ATOM 1749 CZ ARG A 110 -25.137 -4.447 4.930 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -24.756 -5.344 4.027 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -26.418 -4.343 5.251 1.00 0.00 N ATOM 0 H ARG A 110 -19.374 -2.416 8.418 1.00 0.00 H new ATOM 0 HA ARG A 110 -20.497 -4.977 8.523 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -21.535 -2.865 7.639 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -20.482 -2.964 6.241 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -21.510 -5.287 5.813 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -22.711 -4.866 7.018 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -22.430 -2.654 5.180 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -22.640 -4.127 4.255 1.00 0.00 H new ATOM 0 HE ARG A 110 -24.577 -2.983 6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -23.771 -5.430 3.778 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -25.449 -5.947 3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -26.716 -3.657 5.945 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -27.107 -4.948 4.804 1.00 0.00 H new ATOM 1765 N LEU A 111 -18.025 -4.569 6.457 1.00 0.00 N ATOM 1766 CA LEU A 111 -17.076 -5.197 5.571 1.00 0.00 C ATOM 1767 C LEU A 111 -16.347 -6.341 6.228 1.00 0.00 C ATOM 1768 O LEU A 111 -16.232 -7.408 5.649 1.00 0.00 O ATOM 1769 CB LEU A 111 -16.077 -4.162 5.086 1.00 0.00 C ATOM 1770 CG LEU A 111 -16.483 -3.493 3.802 1.00 0.00 C ATOM 1771 CD1 LEU A 111 -15.638 -2.262 3.540 1.00 0.00 C ATOM 1772 CD2 LEU A 111 -16.414 -4.437 2.630 1.00 0.00 C ATOM 0 H LEU A 111 -17.780 -3.610 6.704 1.00 0.00 H new ATOM 0 HA LEU A 111 -17.633 -5.609 4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.949 -3.403 5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.108 -4.641 4.946 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.522 -3.184 3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -15.952 -1.797 2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -15.764 -1.553 4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -14.589 -2.549 3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -16.715 -3.913 1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -15.393 -4.802 2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.084 -5.280 2.802 1.00 0.00 H new ATOM 1784 N ALA A 112 -15.862 -6.143 7.435 1.00 0.00 N ATOM 1785 CA ALA A 112 -15.147 -7.208 8.098 1.00 0.00 C ATOM 1786 C ALA A 112 -16.111 -8.287 8.541 1.00 0.00 C ATOM 1787 O ALA A 112 -15.702 -9.358 8.979 1.00 0.00 O ATOM 1788 CB ALA A 112 -14.325 -6.675 9.260 1.00 0.00 C ATOM 0 H ALA A 112 -15.947 -5.276 7.965 1.00 0.00 H new ATOM 0 HA ALA A 112 -14.447 -7.652 7.390 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.797 -7.499 9.741 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -13.602 -5.947 8.891 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.985 -6.196 9.983 1.00 0.00 H new ATOM 1794 N ASN A 113 -17.394 -7.981 8.445 1.00 0.00 N ATOM 1795 CA ASN A 113 -18.430 -8.924 8.798 1.00 0.00 C ATOM 1796 C ASN A 113 -18.979 -9.610 7.545 1.00 0.00 C ATOM 1797 O ASN A 113 -19.335 -10.783 7.576 1.00 0.00 O ATOM 1798 CB ASN A 113 -19.554 -8.212 9.545 1.00 0.00 C ATOM 1799 CG ASN A 113 -19.259 -8.033 11.022 1.00 0.00 C ATOM 1800 OD1 ASN A 113 -19.566 -8.902 11.836 1.00 0.00 O ATOM 1801 ND2 ASN A 113 -18.660 -6.906 11.379 1.00 0.00 N ATOM 0 H ASN A 113 -17.740 -7.078 8.122 1.00 0.00 H new ATOM 0 HA ASN A 113 -18.001 -9.686 9.449 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -19.723 -7.235 9.092 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -20.477 -8.780 9.430 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -18.437 -6.735 12.360 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -18.421 -6.209 10.673 1.00 0.00 H new