USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 525 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 60 HIS :FLIP no HE2:sc= -0.0685 F(o=-4.1,f=-0.35) USER MOD Set 1.2: A 69 MET CE :methyl -169:sc= -0.277 (180deg=-0.682) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.0808 F(o=-1,f=-0.081) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -46:sc= 0.381 USER MOD Single : A 51 ASN : amide:sc= -0.0602 K(o=-0.06,f=-0.94) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 127:sc= 0.267 USER MOD Single : A 57 THR OG1 : rot 170:sc= 0.194 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc=-0.00344 X(o=-0.0034,f=-0.0034) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 70 CYS SG : rot 86:sc= 1.19 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 76 HIS : no HD1:sc= -0.157 X(o=-0.16,f=0.034) USER MOD Single : A 77 MET CE :methyl 136:sc= -0.479 (180deg=-1.85!) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.187 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 82 LYS NZ :NH3+ -132:sc= -0.0657 (180deg=-0.482) USER MOD ----------------------------------------------------------------- ATOM 106 N ASN A 8 -0.757 -15.481 -4.853 1.00 0.00 N ATOM 107 CA ASN A 8 -0.483 -14.546 -3.754 1.00 0.00 C ATOM 108 C ASN A 8 -0.125 -13.174 -4.299 1.00 0.00 C ATOM 109 O ASN A 8 -0.127 -12.182 -3.580 1.00 0.00 O ATOM 110 CB ASN A 8 0.659 -15.067 -2.863 1.00 0.00 C ATOM 111 CG ASN A 8 0.293 -16.335 -2.107 1.00 0.00 C ATOM 112 OD1 ASN A 8 -0.875 -16.586 -1.817 1.00 0.00 O ATOM 113 ND2 ASN A 8 1.288 -17.137 -1.776 1.00 0.00 N ATOM 0 HA ASN A 8 -1.387 -14.464 -3.150 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.536 -15.260 -3.481 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.937 -14.292 -2.148 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.100 -17.998 -1.262 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.245 -16.896 -2.034 1.00 0.00 H new ATOM 120 N LEU A 9 0.145 -13.137 -5.584 1.00 0.00 N ATOM 121 CA LEU A 9 0.583 -11.904 -6.221 1.00 0.00 C ATOM 122 C LEU A 9 -0.371 -11.396 -7.302 1.00 0.00 C ATOM 123 O LEU A 9 -0.143 -10.333 -7.874 1.00 0.00 O ATOM 124 CB LEU A 9 2.027 -12.006 -6.717 1.00 0.00 C ATOM 125 CG LEU A 9 3.074 -12.250 -5.617 1.00 0.00 C ATOM 126 CD1 LEU A 9 4.467 -12.313 -6.211 1.00 0.00 C ATOM 127 CD2 LEU A 9 2.994 -11.171 -4.532 1.00 0.00 C ATOM 0 H LEU A 9 0.071 -13.939 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 9 0.559 -11.141 -5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.090 -12.816 -7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.281 -11.085 -7.242 1.00 0.00 H new ATOM 0 HG LEU A 9 2.856 -13.211 -5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.194 -12.486 -5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.518 -13.128 -6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.693 -11.371 -6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.745 -11.368 -3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.177 -10.193 -4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.003 -11.183 -4.079 1.00 0.00 H new ATOM 139 N ALA A 10 -1.438 -12.141 -7.572 1.00 0.00 N ATOM 140 CA ALA A 10 -2.389 -11.775 -8.635 1.00 0.00 C ATOM 141 C ALA A 10 -3.008 -10.393 -8.400 1.00 0.00 C ATOM 142 O ALA A 10 -3.002 -9.535 -9.294 1.00 0.00 O ATOM 143 CB ALA A 10 -3.480 -12.830 -8.749 1.00 0.00 C ATOM 0 H ALA A 10 -1.672 -13.001 -7.075 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.833 -11.728 -9.572 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.177 -12.549 -9.538 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.031 -13.794 -8.989 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.015 -12.904 -7.802 1.00 0.00 H new ATOM 149 N ALA A 11 -3.538 -10.182 -7.211 1.00 0.00 N ATOM 150 CA ALA A 11 -4.132 -8.903 -6.849 1.00 0.00 C ATOM 151 C ALA A 11 -3.063 -7.931 -6.388 1.00 0.00 C ATOM 152 O ALA A 11 -3.153 -6.727 -6.627 1.00 0.00 O ATOM 153 CB ALA A 11 -5.181 -9.091 -5.765 1.00 0.00 C ATOM 0 H ALA A 11 -3.571 -10.884 -6.472 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.618 -8.488 -7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.615 -8.125 -5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.965 -9.755 -6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.717 -9.528 -4.881 1.00 0.00 H new ATOM 159 N PHE A 12 -2.048 -8.475 -5.729 1.00 0.00 N ATOM 160 CA PHE A 12 -0.958 -7.676 -5.183 1.00 0.00 C ATOM 161 C PHE A 12 -0.271 -6.852 -6.284 1.00 0.00 C ATOM 162 O PHE A 12 -0.072 -5.647 -6.126 1.00 0.00 O ATOM 163 CB PHE A 12 0.062 -8.592 -4.493 1.00 0.00 C ATOM 164 CG PHE A 12 0.975 -7.881 -3.530 1.00 0.00 C ATOM 165 CD1 PHE A 12 2.111 -7.223 -3.981 1.00 0.00 C ATOM 166 CD2 PHE A 12 0.693 -7.870 -2.170 1.00 0.00 C ATOM 167 CE1 PHE A 12 2.947 -6.571 -3.095 1.00 0.00 C ATOM 168 CE2 PHE A 12 1.525 -7.219 -1.280 1.00 0.00 C ATOM 169 CZ PHE A 12 2.652 -6.570 -1.743 1.00 0.00 C ATOM 0 H PHE A 12 -1.957 -9.476 -5.558 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.373 -6.982 -4.452 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.474 -9.376 -3.957 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.667 -9.083 -5.255 1.00 0.00 H new ATOM 0 HD1 PHE A 12 2.344 -7.221 -5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.188 -8.377 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.829 -6.063 -3.457 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.294 -7.218 -0.225 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.304 -6.061 -1.049 1.00 0.00 H new ATOM 179 N LYS A 13 0.069 -7.497 -7.401 1.00 0.00 N ATOM 180 CA LYS A 13 0.714 -6.808 -8.527 1.00 0.00 C ATOM 181 C LYS A 13 -0.180 -5.723 -9.136 1.00 0.00 C ATOM 182 O LYS A 13 0.316 -4.708 -9.626 1.00 0.00 O ATOM 183 CB LYS A 13 1.160 -7.807 -9.603 1.00 0.00 C ATOM 184 CG LYS A 13 2.263 -8.756 -9.141 1.00 0.00 C ATOM 185 CD LYS A 13 2.728 -9.683 -10.259 1.00 0.00 C ATOM 186 CE LYS A 13 1.631 -10.641 -10.700 1.00 0.00 C ATOM 187 NZ LYS A 13 2.084 -11.533 -11.799 1.00 0.00 N ATOM 0 H LYS A 13 -0.090 -8.493 -7.553 1.00 0.00 H new ATOM 0 HA LYS A 13 1.597 -6.311 -8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.298 -8.394 -9.921 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.510 -7.255 -10.476 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.110 -8.176 -8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.900 -9.352 -8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.053 -9.087 -11.112 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.593 -10.254 -9.920 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.313 -11.245 -9.850 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.762 -10.071 -11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.308 -12.170 -12.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.364 -10.958 -12.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.897 -12.095 -11.477 1.00 0.00 H new ATOM 201 N ALA A 14 -1.488 -5.950 -9.129 1.00 0.00 N ATOM 202 CA ALA A 14 -2.433 -4.978 -9.683 1.00 0.00 C ATOM 203 C ALA A 14 -2.358 -3.648 -8.921 1.00 0.00 C ATOM 204 O ALA A 14 -2.480 -2.572 -9.515 1.00 0.00 O ATOM 205 CB ALA A 14 -3.849 -5.535 -9.659 1.00 0.00 C ATOM 0 H ALA A 14 -1.920 -6.792 -8.749 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.158 -4.788 -10.720 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.537 -4.799 -10.075 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.891 -6.447 -10.254 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.135 -5.759 -8.631 1.00 0.00 H new ATOM 211 N ALA A 15 -2.135 -3.734 -7.608 1.00 0.00 N ATOM 212 CA ALA A 15 -2.011 -2.548 -6.758 1.00 0.00 C ATOM 213 C ALA A 15 -0.788 -1.714 -7.165 1.00 0.00 C ATOM 214 O ALA A 15 -0.816 -0.483 -7.121 1.00 0.00 O ATOM 215 CB ALA A 15 -1.920 -2.952 -5.293 1.00 0.00 C ATOM 0 H ALA A 15 -2.036 -4.618 -7.108 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.902 -1.934 -6.893 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.828 -2.059 -4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.819 -3.499 -5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.047 -3.588 -5.144 1.00 0.00 H new ATOM 221 N THR A 16 0.262 -2.405 -7.584 1.00 0.00 N ATOM 222 CA THR A 16 1.501 -1.769 -8.025 1.00 0.00 C ATOM 223 C THR A 16 1.237 -0.810 -9.202 1.00 0.00 C ATOM 224 O THR A 16 1.792 0.289 -9.255 1.00 0.00 O ATOM 225 CB THR A 16 2.539 -2.832 -8.454 1.00 0.00 C ATOM 226 OG1 THR A 16 2.626 -3.850 -7.445 1.00 0.00 O ATOM 227 CG2 THR A 16 3.915 -2.206 -8.655 1.00 0.00 C ATOM 0 H THR A 16 0.282 -3.424 -7.629 1.00 0.00 H new ATOM 0 HA THR A 16 1.897 -1.200 -7.184 1.00 0.00 H new ATOM 0 HB THR A 16 2.214 -3.266 -9.400 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.282 -4.525 -7.717 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.625 -2.976 -8.956 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.858 -1.442 -9.431 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.248 -1.751 -7.722 1.00 0.00 H new ATOM 235 N ASN A 17 0.378 -1.230 -10.132 1.00 0.00 N ATOM 236 CA ASN A 17 0.037 -0.410 -11.301 1.00 0.00 C ATOM 237 C ASN A 17 -0.648 0.890 -10.873 1.00 0.00 C ATOM 238 O ASN A 17 -0.488 1.928 -11.513 1.00 0.00 O ATOM 239 CB ASN A 17 -0.855 -1.190 -12.282 1.00 0.00 C ATOM 240 CG ASN A 17 -1.181 -0.385 -13.536 1.00 0.00 C ATOM 241 OD1 ASN A 17 -0.392 -0.347 -14.479 1.00 0.00 O ATOM 242 ND2 ASN A 17 -2.349 0.240 -13.565 1.00 0.00 N ATOM 0 H ASN A 17 -0.096 -2.133 -10.101 1.00 0.00 H new ATOM 0 HA ASN A 17 0.966 -0.157 -11.813 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.354 -2.115 -12.567 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.782 -1.470 -11.782 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.620 0.776 -14.389 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.977 0.185 -12.763 1.00 0.00 H new ATOM 249 N LYS A 18 -1.386 0.824 -9.774 1.00 0.00 N ATOM 250 CA LYS A 18 -2.119 1.979 -9.250 1.00 0.00 C ATOM 251 C LYS A 18 -1.156 3.039 -8.716 1.00 0.00 C ATOM 252 O LYS A 18 -1.396 4.240 -8.855 1.00 0.00 O ATOM 253 CB LYS A 18 -3.104 1.564 -8.153 1.00 0.00 C ATOM 254 CG LYS A 18 -4.267 0.702 -8.626 1.00 0.00 C ATOM 255 CD LYS A 18 -5.159 1.458 -9.603 1.00 0.00 C ATOM 256 CE LYS A 18 -6.355 0.620 -10.035 1.00 0.00 C ATOM 257 NZ LYS A 18 -7.238 1.356 -10.978 1.00 0.00 N ATOM 0 H LYS A 18 -1.497 -0.025 -9.219 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.688 2.406 -10.076 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.558 1.020 -7.382 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.504 2.464 -7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.883 -0.199 -9.104 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.856 0.381 -7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.509 2.380 -9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.578 1.744 -10.480 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.004 -0.297 -10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.928 0.326 -9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.040 0.751 -11.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.594 2.218 -10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.698 1.615 -11.829 1.00 0.00 H new ATOM 271 N LEU A 19 -0.058 2.576 -8.107 1.00 0.00 N ATOM 272 CA LEU A 19 0.939 3.455 -7.483 1.00 0.00 C ATOM 273 C LEU A 19 1.494 4.464 -8.495 1.00 0.00 C ATOM 274 O LEU A 19 1.808 5.604 -8.147 1.00 0.00 O ATOM 275 CB LEU A 19 2.099 2.624 -6.911 1.00 0.00 C ATOM 276 CG LEU A 19 1.726 1.477 -5.958 1.00 0.00 C ATOM 277 CD1 LEU A 19 2.972 0.726 -5.519 1.00 0.00 C ATOM 278 CD2 LEU A 19 0.973 1.998 -4.743 1.00 0.00 C ATOM 0 H LEU A 19 0.164 1.583 -8.033 1.00 0.00 H new ATOM 0 HA LEU A 19 0.445 3.998 -6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.659 2.203 -7.746 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.772 3.299 -6.383 1.00 0.00 H new ATOM 0 HG LEU A 19 1.072 0.792 -6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.691 -0.083 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.474 0.312 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.646 1.410 -5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.722 1.165 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.599 2.709 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.058 2.493 -5.067 1.00 0.00 H new ATOM 290 N PHE A 20 1.589 4.031 -9.749 1.00 0.00 N ATOM 291 CA PHE A 20 2.098 4.871 -10.838 1.00 0.00 C ATOM 292 C PHE A 20 1.224 6.121 -11.016 1.00 0.00 C ATOM 293 O PHE A 20 1.719 7.193 -11.362 1.00 0.00 O ATOM 294 CB PHE A 20 2.128 4.060 -12.145 1.00 0.00 C ATOM 295 CG PHE A 20 2.799 4.757 -13.306 1.00 0.00 C ATOM 296 CD1 PHE A 20 4.168 4.660 -13.493 1.00 0.00 C ATOM 297 CD2 PHE A 20 2.057 5.499 -14.213 1.00 0.00 C ATOM 298 CE1 PHE A 20 4.783 5.290 -14.559 1.00 0.00 C ATOM 299 CE2 PHE A 20 2.665 6.131 -15.276 1.00 0.00 C ATOM 300 CZ PHE A 20 4.029 6.024 -15.452 1.00 0.00 C ATOM 0 H PHE A 20 1.318 3.092 -10.042 1.00 0.00 H new ATOM 0 HA PHE A 20 3.109 5.193 -10.587 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.641 3.117 -11.959 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.104 3.815 -12.428 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.762 4.085 -12.798 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.988 5.583 -14.084 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.852 5.208 -14.693 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.074 6.710 -15.971 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.506 6.514 -16.288 1.00 0.00 H new ATOM 310 N GLN A 21 -0.071 5.974 -10.770 1.00 0.00 N ATOM 311 CA GLN A 21 -1.021 7.069 -10.935 1.00 0.00 C ATOM 312 C GLN A 21 -0.951 8.079 -9.784 1.00 0.00 C ATOM 313 O GLN A 21 -1.478 9.187 -9.896 1.00 0.00 O ATOM 314 CB GLN A 21 -2.445 6.525 -11.060 1.00 0.00 C ATOM 315 CG GLN A 21 -2.686 5.703 -12.314 1.00 0.00 C ATOM 316 CD GLN A 21 -2.525 6.520 -13.580 1.00 0.00 C ATOM 317 OE1 GLN A 21 -1.333 6.518 -14.137 1.00 0.00 O flip ATOM 318 NE2 GLN A 21 -3.475 7.143 -14.056 1.00 0.00 N flip ATOM 0 H GLN A 21 -0.491 5.100 -10.453 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.747 7.593 -11.851 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.666 5.910 -10.187 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.144 7.361 -11.046 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.990 4.865 -12.335 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.691 5.282 -12.282 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.384 7.119 -13.593 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.353 7.683 -14.913 1.00 0.00 H new ATOM 327 N LEU A 22 -0.311 7.700 -8.687 1.00 0.00 N ATOM 328 CA LEU A 22 -0.219 8.583 -7.534 1.00 0.00 C ATOM 329 C LEU A 22 1.214 9.066 -7.295 1.00 0.00 C ATOM 330 O LEU A 22 1.455 9.890 -6.405 1.00 0.00 O ATOM 331 CB LEU A 22 -0.780 7.904 -6.274 1.00 0.00 C ATOM 332 CG LEU A 22 -2.304 7.941 -6.093 1.00 0.00 C ATOM 333 CD1 LEU A 22 -2.817 9.371 -6.128 1.00 0.00 C ATOM 334 CD2 LEU A 22 -3.001 7.085 -7.142 1.00 0.00 C ATOM 0 H LEU A 22 0.148 6.796 -8.571 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.827 9.461 -7.754 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.463 6.861 -6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.322 8.372 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.537 7.522 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.899 9.373 -5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.354 9.943 -5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.566 9.824 -7.087 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.079 7.130 -6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.759 7.459 -8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.664 6.052 -7.051 1.00 0.00 H new ATOM 346 N ASP A 23 2.151 8.561 -8.106 1.00 0.00 N ATOM 347 CA ASP A 23 3.577 8.952 -8.001 1.00 0.00 C ATOM 348 C ASP A 23 4.129 8.674 -6.600 1.00 0.00 C ATOM 349 O ASP A 23 4.636 9.581 -5.925 1.00 0.00 O ATOM 350 CB ASP A 23 3.788 10.432 -8.367 1.00 0.00 C ATOM 351 CG ASP A 23 4.005 10.663 -9.851 1.00 0.00 C ATOM 352 OD1 ASP A 23 3.022 10.609 -10.619 1.00 0.00 O ATOM 353 OD2 ASP A 23 5.168 10.915 -10.250 1.00 0.00 O ATOM 0 H ASP A 23 1.957 7.883 -8.842 1.00 0.00 H new ATOM 0 HA ASP A 23 4.126 8.342 -8.718 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.921 11.006 -8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.648 10.815 -7.818 1.00 0.00 H new ATOM 358 N LEU A 24 4.020 7.430 -6.165 1.00 0.00 N ATOM 359 CA LEU A 24 4.474 7.039 -4.839 1.00 0.00 C ATOM 360 C LEU A 24 4.996 5.587 -4.828 1.00 0.00 C ATOM 361 O LEU A 24 4.870 4.870 -5.826 1.00 0.00 O ATOM 362 CB LEU A 24 3.358 7.274 -3.784 1.00 0.00 C ATOM 363 CG LEU A 24 1.964 6.684 -4.084 1.00 0.00 C ATOM 364 CD1 LEU A 24 1.976 5.169 -4.036 1.00 0.00 C ATOM 365 CD2 LEU A 24 0.940 7.237 -3.105 1.00 0.00 C ATOM 0 H LEU A 24 3.619 6.669 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 24 5.317 7.674 -4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.700 6.864 -2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.246 8.349 -3.645 1.00 0.00 H new ATOM 0 HG LEU A 24 1.687 6.979 -5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.977 4.790 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.677 4.787 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.282 4.839 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.040 6.814 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.229 6.972 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.896 8.322 -3.198 1.00 0.00 H new ATOM 377 N ALA A 25 5.582 5.167 -3.701 1.00 0.00 N ATOM 378 CA ALA A 25 6.122 3.813 -3.559 1.00 0.00 C ATOM 379 C ALA A 25 6.091 3.378 -2.093 1.00 0.00 C ATOM 380 O ALA A 25 6.149 4.218 -1.190 1.00 0.00 O ATOM 381 CB ALA A 25 7.546 3.740 -4.103 1.00 0.00 C ATOM 0 H ALA A 25 5.694 5.750 -2.871 1.00 0.00 H new ATOM 0 HA ALA A 25 5.497 3.133 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.928 2.726 -3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.546 4.010 -5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.182 4.432 -3.551 1.00 0.00 H new ATOM 387 N VAL A 26 5.981 2.072 -1.856 1.00 0.00 N ATOM 388 CA VAL A 26 5.932 1.539 -0.498 1.00 0.00 C ATOM 389 C VAL A 26 7.132 0.626 -0.197 1.00 0.00 C ATOM 390 O VAL A 26 7.469 -0.263 -0.985 1.00 0.00 O ATOM 391 CB VAL A 26 4.609 0.741 -0.264 1.00 0.00 C ATOM 392 CG1 VAL A 26 4.383 -0.282 -1.377 1.00 0.00 C ATOM 393 CG2 VAL A 26 4.619 0.051 1.102 1.00 0.00 C ATOM 0 H VAL A 26 5.924 1.364 -2.588 1.00 0.00 H new ATOM 0 HA VAL A 26 5.970 2.393 0.178 1.00 0.00 H new ATOM 0 HB VAL A 26 3.784 1.454 -0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.456 -0.824 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.316 0.232 -2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.216 -0.985 -1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.687 -0.497 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.459 -0.642 1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.718 0.800 1.887 1.00 0.00 H new ATOM 403 N ILE A 27 7.787 0.882 0.926 1.00 0.00 N ATOM 404 CA ILE A 27 8.899 0.056 1.372 1.00 0.00 C ATOM 405 C ILE A 27 8.497 -0.790 2.588 1.00 0.00 C ATOM 406 O ILE A 27 7.806 -0.311 3.497 1.00 0.00 O ATOM 407 CB ILE A 27 10.159 0.905 1.695 1.00 0.00 C ATOM 408 CG1 ILE A 27 9.849 1.978 2.749 1.00 0.00 C ATOM 409 CG2 ILE A 27 10.706 1.543 0.422 1.00 0.00 C ATOM 410 CD1 ILE A 27 11.060 2.787 3.174 1.00 0.00 C ATOM 0 H ILE A 27 7.566 1.660 1.548 1.00 0.00 H new ATOM 0 HA ILE A 27 9.154 -0.612 0.549 1.00 0.00 H new ATOM 0 HB ILE A 27 10.919 0.242 2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.092 2.655 2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.418 1.497 3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.589 2.135 0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.975 0.762 -0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.945 2.188 -0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.762 3.524 3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.810 2.122 3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.479 3.297 2.307 1.00 0.00 H new ATOM 422 N TYR A 28 8.916 -2.046 2.592 1.00 0.00 N ATOM 423 CA TYR A 28 8.557 -2.968 3.668 1.00 0.00 C ATOM 424 C TYR A 28 9.744 -3.271 4.577 1.00 0.00 C ATOM 425 O TYR A 28 10.898 -3.271 4.141 1.00 0.00 O ATOM 426 CB TYR A 28 7.972 -4.276 3.091 1.00 0.00 C ATOM 427 CG TYR A 28 8.912 -5.037 2.164 1.00 0.00 C ATOM 428 CD1 TYR A 28 8.956 -4.755 0.802 1.00 0.00 C ATOM 429 CD2 TYR A 28 9.750 -6.035 2.652 1.00 0.00 C ATOM 430 CE1 TYR A 28 9.804 -5.442 -0.044 1.00 0.00 C ATOM 431 CE2 TYR A 28 10.603 -6.724 1.813 1.00 0.00 C ATOM 432 CZ TYR A 28 10.626 -6.424 0.465 1.00 0.00 C ATOM 433 OH TYR A 28 11.478 -7.108 -0.376 1.00 0.00 O ATOM 0 H TYR A 28 9.504 -2.454 1.865 1.00 0.00 H new ATOM 0 HA TYR A 28 7.795 -2.478 4.275 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.691 -4.929 3.918 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.058 -4.040 2.546 1.00 0.00 H new ATOM 0 HD1 TYR A 28 8.315 -3.985 0.399 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.733 -6.275 3.705 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.823 -5.211 -1.099 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.249 -7.494 2.209 1.00 0.00 H new ATOM 0 HH TYR A 28 11.989 -7.766 0.140 1.00 0.00 H new ATOM 443 N ASP A 29 9.446 -3.513 5.841 1.00 0.00 N ATOM 444 CA ASP A 29 10.455 -3.824 6.852 1.00 0.00 C ATOM 445 C ASP A 29 10.024 -5.057 7.631 1.00 0.00 C ATOM 446 O ASP A 29 8.908 -5.096 8.158 1.00 0.00 O ATOM 447 CB ASP A 29 10.606 -2.627 7.809 1.00 0.00 C ATOM 448 CG ASP A 29 11.657 -2.826 8.890 1.00 0.00 C ATOM 449 OD1 ASP A 29 11.456 -3.673 9.781 1.00 0.00 O ATOM 450 OD2 ASP A 29 12.666 -2.086 8.876 1.00 0.00 O ATOM 0 H ASP A 29 8.492 -3.500 6.203 1.00 0.00 H new ATOM 0 HA ASP A 29 11.412 -4.020 6.369 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.861 -1.741 7.228 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.644 -2.431 8.284 1.00 0.00 H new ATOM 455 N ASP A 30 10.877 -6.076 7.685 1.00 0.00 N ATOM 456 CA ASP A 30 10.534 -7.285 8.425 1.00 0.00 C ATOM 457 C ASP A 30 11.756 -7.922 9.084 1.00 0.00 C ATOM 458 O ASP A 30 12.683 -8.376 8.406 1.00 0.00 O ATOM 459 CB ASP A 30 9.822 -8.313 7.514 1.00 0.00 C ATOM 460 CG ASP A 30 10.680 -8.823 6.365 1.00 0.00 C ATOM 461 OD1 ASP A 30 10.985 -8.039 5.439 1.00 0.00 O ATOM 462 OD2 ASP A 30 11.047 -10.026 6.373 1.00 0.00 O ATOM 0 H ASP A 30 11.792 -6.090 7.235 1.00 0.00 H new ATOM 0 HA ASP A 30 9.849 -6.984 9.217 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.504 -9.161 8.120 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.920 -7.857 7.106 1.00 0.00 H new ATOM 627 N CYS A 40 6.269 -11.043 11.184 1.00 0.00 N ATOM 628 CA CYS A 40 6.251 -9.595 11.412 1.00 0.00 C ATOM 629 C CYS A 40 6.560 -8.835 10.119 1.00 0.00 C ATOM 630 O CYS A 40 7.605 -9.038 9.519 1.00 0.00 O ATOM 631 CB CYS A 40 7.254 -9.210 12.512 1.00 0.00 C ATOM 632 SG CYS A 40 8.901 -9.944 12.320 1.00 0.00 S ATOM 0 HA CYS A 40 5.250 -9.316 11.741 1.00 0.00 H new ATOM 0 HB2 CYS A 40 7.354 -8.125 12.531 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.847 -9.510 13.478 1.00 0.00 H new ATOM 0 HG CYS A 40 9.666 -9.555 13.296 1.00 0.00 H new ATOM 638 N ILE A 41 5.632 -7.968 9.688 1.00 0.00 N ATOM 639 CA ILE A 41 5.806 -7.190 8.450 1.00 0.00 C ATOM 640 C ILE A 41 5.296 -5.749 8.648 1.00 0.00 C ATOM 641 O ILE A 41 4.159 -5.542 9.072 1.00 0.00 O ATOM 642 CB ILE A 41 5.044 -7.847 7.260 1.00 0.00 C ATOM 643 CG1 ILE A 41 5.571 -9.267 7.010 1.00 0.00 C ATOM 644 CG2 ILE A 41 5.177 -6.999 5.994 1.00 0.00 C ATOM 645 CD1 ILE A 41 4.773 -10.054 5.991 1.00 0.00 C ATOM 0 H ILE A 41 4.755 -7.787 10.176 1.00 0.00 H new ATOM 0 HA ILE A 41 6.871 -7.173 8.217 1.00 0.00 H new ATOM 0 HB ILE A 41 3.987 -7.906 7.521 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.606 -9.205 6.675 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.574 -9.813 7.953 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.637 -7.478 5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.759 -6.008 6.174 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.230 -6.906 5.728 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.211 -11.045 5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.742 -10.151 6.332 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.791 -9.533 5.034 1.00 0.00 H new ATOM 657 N ARG A 42 6.144 -4.765 8.375 1.00 0.00 N ATOM 658 CA ARG A 42 5.761 -3.353 8.500 1.00 0.00 C ATOM 659 C ARG A 42 5.733 -2.650 7.129 1.00 0.00 C ATOM 660 O ARG A 42 6.647 -2.816 6.321 1.00 0.00 O ATOM 661 CB ARG A 42 6.756 -2.645 9.433 1.00 0.00 C ATOM 662 CG ARG A 42 6.467 -1.172 9.675 1.00 0.00 C ATOM 663 CD ARG A 42 7.535 -0.541 10.561 1.00 0.00 C ATOM 664 NE ARG A 42 7.512 -1.084 11.923 1.00 0.00 N ATOM 665 CZ ARG A 42 8.607 -1.405 12.633 1.00 0.00 C ATOM 666 NH1 ARG A 42 9.824 -1.283 12.097 1.00 0.00 N ATOM 667 NH2 ARG A 42 8.485 -1.849 13.880 1.00 0.00 N ATOM 0 H ARG A 42 7.104 -4.913 8.065 1.00 0.00 H new ATOM 0 HA ARG A 42 4.755 -3.302 8.916 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.763 -3.162 10.393 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.757 -2.740 9.013 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.424 -0.645 8.722 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.489 -1.062 10.145 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.517 -0.710 10.120 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.384 0.538 10.598 1.00 0.00 H new ATOM 0 HE ARG A 42 6.602 -1.228 12.362 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.928 -0.944 11.141 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.649 -1.529 12.644 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.560 -1.946 14.299 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.316 -2.092 14.418 1.00 0.00 H new ATOM 681 N LEU A 43 4.668 -1.874 6.882 1.00 0.00 N ATOM 682 CA LEU A 43 4.515 -1.101 5.631 1.00 0.00 C ATOM 683 C LEU A 43 4.747 0.392 5.892 1.00 0.00 C ATOM 684 O LEU A 43 3.942 1.039 6.569 1.00 0.00 O ATOM 685 CB LEU A 43 3.087 -1.278 5.059 1.00 0.00 C ATOM 686 CG LEU A 43 2.811 -2.482 4.137 1.00 0.00 C ATOM 687 CD1 LEU A 43 3.271 -3.787 4.762 1.00 0.00 C ATOM 688 CD2 LEU A 43 1.324 -2.548 3.826 1.00 0.00 C ATOM 0 H LEU A 43 3.892 -1.762 7.534 1.00 0.00 H new ATOM 0 HA LEU A 43 5.251 -1.472 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.397 -1.340 5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.836 -0.372 4.507 1.00 0.00 H new ATOM 0 HG LEU A 43 3.378 -2.343 3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.059 -4.611 4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.343 -3.741 4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.742 -3.947 5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.126 -3.399 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.763 -2.663 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.015 -1.629 3.327 1.00 0.00 H new ATOM 700 N ARG A 44 5.852 0.933 5.388 1.00 0.00 N ATOM 701 CA ARG A 44 6.114 2.365 5.496 1.00 0.00 C ATOM 702 C ARG A 44 5.918 3.075 4.154 1.00 0.00 C ATOM 703 O ARG A 44 6.509 2.692 3.138 1.00 0.00 O ATOM 704 CB ARG A 44 7.547 2.593 6.003 1.00 0.00 C ATOM 705 CG ARG A 44 7.999 4.055 6.009 1.00 0.00 C ATOM 706 CD ARG A 44 9.426 4.189 6.544 1.00 0.00 C ATOM 707 NE ARG A 44 9.929 5.566 6.458 1.00 0.00 N ATOM 708 CZ ARG A 44 10.307 6.317 7.505 1.00 0.00 C ATOM 709 NH1 ARG A 44 10.257 5.829 8.742 1.00 0.00 N ATOM 710 NH2 ARG A 44 10.748 7.555 7.299 1.00 0.00 N ATOM 0 H ARG A 44 6.577 0.405 4.903 1.00 0.00 H new ATOM 0 HA ARG A 44 5.401 2.786 6.205 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.626 2.198 7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.233 2.017 5.382 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.947 4.459 4.998 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.320 4.646 6.624 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.454 3.859 7.582 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.086 3.528 5.981 1.00 0.00 H new ATOM 0 HE ARG A 44 9.997 5.985 5.530 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.929 4.876 8.902 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.546 6.408 9.531 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.797 7.928 6.351 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.037 8.132 8.089 1.00 0.00 H new ATOM 724 N ILE A 45 5.084 4.107 4.165 1.00 0.00 N ATOM 725 CA ILE A 45 4.832 4.914 2.985 1.00 0.00 C ATOM 726 C ILE A 45 5.540 6.250 3.157 1.00 0.00 C ATOM 727 O ILE A 45 5.337 6.930 4.175 1.00 0.00 O ATOM 728 CB ILE A 45 3.318 5.194 2.815 1.00 0.00 C ATOM 729 CG1 ILE A 45 2.510 3.891 2.842 1.00 0.00 C ATOM 730 CG2 ILE A 45 3.059 5.949 1.513 1.00 0.00 C ATOM 731 CD1 ILE A 45 2.841 2.933 1.725 1.00 0.00 C ATOM 0 H ILE A 45 4.566 4.405 4.992 1.00 0.00 H new ATOM 0 HA ILE A 45 5.195 4.375 2.110 1.00 0.00 H new ATOM 0 HB ILE A 45 2.994 5.813 3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.680 3.391 3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.449 4.134 2.794 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.991 6.138 1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.595 6.898 1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.406 5.351 0.670 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.225 2.038 1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.644 3.411 0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.894 2.657 1.783 1.00 0.00 H new ATOM 743 N GLU A 46 6.362 6.645 2.198 1.00 0.00 N ATOM 744 CA GLU A 46 7.100 7.881 2.306 1.00 0.00 C ATOM 745 C GLU A 46 7.120 8.581 0.946 1.00 0.00 C ATOM 746 O GLU A 46 7.164 7.921 -0.093 1.00 0.00 O ATOM 747 CB GLU A 46 8.525 7.568 2.763 1.00 0.00 C ATOM 748 CG GLU A 46 9.386 8.780 3.053 1.00 0.00 C ATOM 749 CD GLU A 46 10.776 8.384 3.473 1.00 0.00 C ATOM 750 OE1 GLU A 46 11.629 8.168 2.583 1.00 0.00 O ATOM 751 OE2 GLU A 46 11.016 8.249 4.695 1.00 0.00 O ATOM 0 H GLU A 46 6.531 6.123 1.338 1.00 0.00 H new ATOM 0 HA GLU A 46 6.626 8.540 3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.475 6.953 3.662 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.014 6.970 1.994 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.439 9.410 2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.923 9.376 3.840 1.00 0.00 H new ATOM 758 N ASP A 47 7.076 9.897 0.961 1.00 0.00 N ATOM 759 CA ASP A 47 7.093 10.691 -0.260 1.00 0.00 C ATOM 760 C ASP A 47 8.485 10.747 -0.862 1.00 0.00 C ATOM 761 O ASP A 47 9.497 10.611 -0.160 1.00 0.00 O ATOM 762 CB ASP A 47 6.575 12.114 -0.005 1.00 0.00 C ATOM 763 CG ASP A 47 6.578 12.977 -1.254 1.00 0.00 C ATOM 764 OD1 ASP A 47 5.640 12.854 -2.076 1.00 0.00 O ATOM 765 OD2 ASP A 47 7.522 13.780 -1.420 1.00 0.00 O ATOM 0 H ASP A 47 7.027 10.450 1.817 1.00 0.00 H new ATOM 0 HA ASP A 47 6.428 10.201 -0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.561 12.060 0.391 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.191 12.588 0.759 1.00 0.00 H new ATOM 770 N ARG A 48 8.512 10.955 -2.152 1.00 0.00 N ATOM 771 CA ARG A 48 9.719 11.035 -2.943 1.00 0.00 C ATOM 772 C ARG A 48 10.694 12.122 -2.440 1.00 0.00 C ATOM 773 O ARG A 48 11.904 11.972 -2.578 1.00 0.00 O ATOM 774 CB ARG A 48 9.318 11.302 -4.391 1.00 0.00 C ATOM 775 CG ARG A 48 8.632 12.647 -4.582 1.00 0.00 C ATOM 776 CD ARG A 48 7.822 12.680 -5.855 1.00 0.00 C ATOM 777 NE ARG A 48 8.637 12.441 -7.047 1.00 0.00 N ATOM 778 CZ ARG A 48 8.143 12.015 -8.211 1.00 0.00 C ATOM 779 NH1 ARG A 48 6.834 11.806 -8.343 1.00 0.00 N ATOM 780 NH2 ARG A 48 8.957 11.794 -9.231 1.00 0.00 N ATOM 0 H ARG A 48 7.664 11.078 -2.705 1.00 0.00 H new ATOM 0 HA ARG A 48 10.255 10.090 -2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.206 11.261 -5.021 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.651 10.509 -4.729 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.982 12.849 -3.731 1.00 0.00 H new ATOM 0 HG3 ARG A 48 9.381 13.438 -4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.035 11.927 -5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.331 13.649 -5.944 1.00 0.00 H new ATOM 0 HE ARG A 48 9.641 12.610 -6.984 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.209 11.972 -7.554 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.457 11.480 -9.233 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.960 11.949 -9.126 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.582 11.468 -10.122 1.00 0.00 H new ATOM 794 N SER A 49 10.180 13.210 -1.854 1.00 0.00 N ATOM 795 CA SER A 49 11.030 14.301 -1.385 1.00 0.00 C ATOM 796 C SER A 49 11.420 14.112 0.101 1.00 0.00 C ATOM 797 O SER A 49 11.782 15.068 0.784 1.00 0.00 O ATOM 798 CB SER A 49 10.298 15.638 -1.586 1.00 0.00 C ATOM 799 OG SER A 49 11.163 16.749 -1.388 1.00 0.00 O ATOM 0 H SER A 49 9.183 13.354 -1.696 1.00 0.00 H new ATOM 0 HA SER A 49 11.952 14.300 -1.966 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.882 15.677 -2.593 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.460 15.702 -0.892 1.00 0.00 H new ATOM 0 HG SER A 49 11.688 16.613 -0.572 1.00 0.00 H new ATOM 805 N GLY A 50 11.363 12.874 0.572 1.00 0.00 N ATOM 806 CA GLY A 50 11.728 12.577 1.955 1.00 0.00 C ATOM 807 C GLY A 50 10.741 13.112 2.980 1.00 0.00 C ATOM 808 O GLY A 50 11.122 13.843 3.900 1.00 0.00 O ATOM 0 H GLY A 50 11.071 12.064 0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.812 11.497 2.075 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.713 12.997 2.159 1.00 0.00 H new ATOM 812 N ASN A 51 9.488 12.740 2.837 1.00 0.00 N ATOM 813 CA ASN A 51 8.442 13.145 3.774 1.00 0.00 C ATOM 814 C ASN A 51 7.573 11.945 4.090 1.00 0.00 C ATOM 815 O ASN A 51 7.212 11.202 3.196 1.00 0.00 O ATOM 816 CB ASN A 51 7.586 14.275 3.179 1.00 0.00 C ATOM 817 CG ASN A 51 6.495 14.752 4.131 1.00 0.00 C ATOM 818 OD1 ASN A 51 6.666 14.748 5.353 1.00 0.00 O ATOM 819 ND2 ASN A 51 5.371 15.163 3.576 1.00 0.00 N ATOM 0 H ASN A 51 9.158 12.150 2.073 1.00 0.00 H new ATOM 0 HA ASN A 51 8.904 13.518 4.688 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.230 15.116 2.921 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.128 13.929 2.253 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.604 15.493 4.162 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.269 15.151 2.561 1.00 0.00 H new ATOM 826 N LEU A 52 7.243 11.741 5.348 1.00 0.00 N ATOM 827 CA LEU A 52 6.445 10.588 5.735 1.00 0.00 C ATOM 828 C LEU A 52 4.993 10.777 5.312 1.00 0.00 C ATOM 829 O LEU A 52 4.491 11.901 5.276 1.00 0.00 O ATOM 830 CB LEU A 52 6.523 10.331 7.253 1.00 0.00 C ATOM 831 CG LEU A 52 5.789 11.336 8.164 1.00 0.00 C ATOM 832 CD1 LEU A 52 5.644 10.767 9.562 1.00 0.00 C ATOM 833 CD2 LEU A 52 6.525 12.673 8.219 1.00 0.00 C ATOM 0 H LEU A 52 7.511 12.353 6.119 1.00 0.00 H new ATOM 0 HA LEU A 52 6.855 9.718 5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.122 9.337 7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.574 10.314 7.542 1.00 0.00 H new ATOM 0 HG LEU A 52 4.799 11.510 7.742 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.124 11.486 10.195 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.072 9.840 9.520 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.632 10.565 9.977 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.983 13.360 8.869 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.530 12.519 8.611 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.588 13.095 7.216 1.00 0.00 H new ATOM 845 N ILE A 53 4.322 9.685 4.983 1.00 0.00 N ATOM 846 CA ILE A 53 2.932 9.747 4.570 1.00 0.00 C ATOM 847 C ILE A 53 2.067 9.073 5.635 1.00 0.00 C ATOM 848 O ILE A 53 1.035 9.603 6.053 1.00 0.00 O ATOM 849 CB ILE A 53 2.711 9.068 3.196 1.00 0.00 C ATOM 850 CG1 ILE A 53 3.524 9.779 2.098 1.00 0.00 C ATOM 851 CG2 ILE A 53 1.224 9.036 2.835 1.00 0.00 C ATOM 852 CD1 ILE A 53 3.139 11.234 1.878 1.00 0.00 C ATOM 0 H ILE A 53 4.719 8.745 4.994 1.00 0.00 H new ATOM 0 HA ILE A 53 2.649 10.794 4.463 1.00 0.00 H new ATOM 0 HB ILE A 53 3.063 8.039 3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.582 9.730 2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.399 9.237 1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.095 8.554 1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.677 8.476 3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.839 10.055 2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.759 11.659 1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.090 11.293 1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.291 11.794 2.801 1.00 0.00 H new ATOM 864 N ASP A 54 2.537 7.907 6.096 1.00 0.00 N ATOM 865 CA ASP A 54 1.851 7.120 7.118 1.00 0.00 C ATOM 866 C ASP A 54 2.699 5.897 7.468 1.00 0.00 C ATOM 867 O ASP A 54 3.713 5.636 6.807 1.00 0.00 O ATOM 868 CB ASP A 54 0.446 6.682 6.651 1.00 0.00 C ATOM 869 CG ASP A 54 -0.411 6.178 7.802 1.00 0.00 C ATOM 870 OD1 ASP A 54 -0.085 6.495 8.969 1.00 0.00 O ATOM 871 OD2 ASP A 54 -1.410 5.483 7.554 1.00 0.00 O ATOM 0 H ASP A 54 3.406 7.485 5.767 1.00 0.00 H new ATOM 0 HA ASP A 54 1.720 7.743 8.002 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.053 7.523 6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.543 5.897 5.901 1.00 0.00 H new ATOM 876 N THR A 55 2.282 5.144 8.478 1.00 0.00 N ATOM 877 CA THR A 55 3.013 3.967 8.931 1.00 0.00 C ATOM 878 C THR A 55 2.041 2.918 9.473 1.00 0.00 C ATOM 879 O THR A 55 1.029 3.263 10.090 1.00 0.00 O ATOM 880 CB THR A 55 4.059 4.315 10.026 1.00 0.00 C ATOM 881 OG1 THR A 55 3.523 5.279 10.938 1.00 0.00 O ATOM 882 CG2 THR A 55 5.350 4.850 9.418 1.00 0.00 C ATOM 0 H THR A 55 1.429 5.331 9.005 1.00 0.00 H new ATOM 0 HA THR A 55 3.548 3.569 8.069 1.00 0.00 H new ATOM 0 HB THR A 55 4.290 3.395 10.562 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.192 5.488 11.623 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.058 5.083 10.214 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.781 4.097 8.758 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.136 5.754 8.847 1.00 0.00 H new ATOM 890 N SER A 56 2.337 1.653 9.238 1.00 0.00 N ATOM 891 CA SER A 56 1.503 0.564 9.731 1.00 0.00 C ATOM 892 C SER A 56 2.344 -0.684 9.996 1.00 0.00 C ATOM 893 O SER A 56 3.289 -0.971 9.255 1.00 0.00 O ATOM 894 CB SER A 56 0.377 0.252 8.735 1.00 0.00 C ATOM 895 OG SER A 56 -0.478 1.376 8.558 1.00 0.00 O ATOM 0 H SER A 56 3.153 1.350 8.706 1.00 0.00 H new ATOM 0 HA SER A 56 1.053 0.880 10.672 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.806 -0.037 7.776 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.204 -0.598 9.093 1.00 0.00 H new ATOM 0 HG SER A 56 -0.559 1.579 7.603 1.00 0.00 H new ATOM 901 N THR A 57 2.004 -1.413 11.050 1.00 0.00 N ATOM 902 CA THR A 57 2.725 -2.621 11.414 1.00 0.00 C ATOM 903 C THR A 57 1.748 -3.795 11.610 1.00 0.00 C ATOM 904 O THR A 57 0.747 -3.671 12.323 1.00 0.00 O ATOM 905 CB THR A 57 3.566 -2.409 12.701 1.00 0.00 C ATOM 906 OG1 THR A 57 4.460 -1.294 12.525 1.00 0.00 O ATOM 907 CG2 THR A 57 4.383 -3.651 13.028 1.00 0.00 C ATOM 0 H THR A 57 1.227 -1.185 11.671 1.00 0.00 H new ATOM 0 HA THR A 57 3.406 -2.859 10.597 1.00 0.00 H new ATOM 0 HB THR A 57 2.879 -2.210 13.523 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.869 -1.064 13.385 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.963 -3.477 13.934 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.713 -4.497 13.183 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.058 -3.870 12.201 1.00 0.00 H new ATOM 915 N PHE A 58 2.048 -4.916 10.978 1.00 0.00 N ATOM 916 CA PHE A 58 1.186 -6.093 11.044 1.00 0.00 C ATOM 917 C PHE A 58 1.981 -7.321 11.465 1.00 0.00 C ATOM 918 O PHE A 58 2.947 -7.697 10.797 1.00 0.00 O ATOM 919 CB PHE A 58 0.515 -6.342 9.686 1.00 0.00 C ATOM 920 CG PHE A 58 -0.352 -5.201 9.221 1.00 0.00 C ATOM 921 CD1 PHE A 58 -1.642 -5.054 9.701 1.00 0.00 C ATOM 922 CD2 PHE A 58 0.131 -4.274 8.310 1.00 0.00 C ATOM 923 CE1 PHE A 58 -2.441 -4.007 9.275 1.00 0.00 C ATOM 924 CE2 PHE A 58 -0.662 -3.225 7.882 1.00 0.00 C ATOM 925 CZ PHE A 58 -1.948 -3.088 8.368 1.00 0.00 C ATOM 0 H PHE A 58 2.886 -5.041 10.409 1.00 0.00 H new ATOM 0 HA PHE A 58 0.414 -5.907 11.791 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.286 -6.529 8.939 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.092 -7.245 9.751 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.030 -5.764 10.416 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.137 -4.372 7.931 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.449 -3.908 9.651 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.276 -2.513 7.168 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.566 -2.265 8.040 1.00 0.00 H new ATOM 935 N TYR A 59 1.591 -7.950 12.570 1.00 0.00 N ATOM 936 CA TYR A 59 2.297 -9.138 13.020 1.00 0.00 C ATOM 937 C TYR A 59 1.410 -10.103 13.805 1.00 0.00 C ATOM 938 O TYR A 59 0.957 -9.820 14.916 1.00 0.00 O ATOM 939 CB TYR A 59 3.580 -8.770 13.806 1.00 0.00 C ATOM 940 CG TYR A 59 3.366 -7.878 15.026 1.00 0.00 C ATOM 941 CD1 TYR A 59 3.004 -6.543 14.883 1.00 0.00 C ATOM 942 CD2 TYR A 59 3.534 -8.371 16.315 1.00 0.00 C ATOM 943 CE1 TYR A 59 2.814 -5.729 15.981 1.00 0.00 C ATOM 944 CE2 TYR A 59 3.348 -7.561 17.419 1.00 0.00 C ATOM 945 CZ TYR A 59 2.988 -6.242 17.246 1.00 0.00 C ATOM 946 OH TYR A 59 2.802 -5.430 18.344 1.00 0.00 O ATOM 0 H TYR A 59 0.808 -7.663 13.157 1.00 0.00 H new ATOM 0 HA TYR A 59 2.598 -9.674 12.120 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.064 -9.691 14.131 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.271 -8.269 13.127 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.869 -6.135 13.892 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.815 -9.404 16.456 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.530 -4.695 15.848 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.484 -7.960 18.413 1.00 0.00 H new ATOM 0 HH TYR A 59 2.962 -5.945 19.162 1.00 0.00 H new ATOM 956 N HIS A 60 1.164 -11.230 13.178 1.00 0.00 N ATOM 957 CA HIS A 60 0.424 -12.349 13.736 1.00 0.00 C ATOM 958 C HIS A 60 0.562 -13.490 12.754 1.00 0.00 C ATOM 959 O HIS A 60 0.757 -13.239 11.561 1.00 0.00 O ATOM 960 CB HIS A 60 -1.066 -12.003 13.994 1.00 0.00 C ATOM 961 CG HIS A 60 -1.879 -11.696 12.769 1.00 0.00 C ATOM 962 ND1 HIS A 60 -2.470 -12.518 11.874 1.00 0.00 N flip ATOM 963 CD2 HIS A 60 -2.184 -10.420 12.366 1.00 0.00 C flip ATOM 964 CE1 HIS A 60 -3.109 -11.735 10.963 1.00 0.00 C flip ATOM 965 NE2 HIS A 60 -2.924 -10.474 11.282 1.00 0.00 N flip ATOM 0 H HIS A 60 1.485 -11.404 12.226 1.00 0.00 H new ATOM 0 HA HIS A 60 0.829 -12.617 14.712 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.530 -12.839 14.517 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.111 -11.144 14.664 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.442 -13.538 11.880 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.866 -9.515 12.862 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.676 -12.092 10.116 1.00 0.00 H new ATOM 973 N HIS A 61 0.463 -14.716 13.199 1.00 0.00 N ATOM 974 CA HIS A 61 0.688 -15.818 12.285 1.00 0.00 C ATOM 975 C HIS A 61 -0.587 -16.242 11.558 1.00 0.00 C ATOM 976 O HIS A 61 -1.265 -17.189 11.964 1.00 0.00 O ATOM 977 CB HIS A 61 1.310 -17.011 13.023 1.00 0.00 C ATOM 978 CG HIS A 61 1.643 -18.168 12.130 1.00 0.00 C ATOM 979 ND1 HIS A 61 2.736 -18.183 11.298 1.00 0.00 N ATOM 980 CD2 HIS A 61 1.014 -19.350 11.941 1.00 0.00 C ATOM 981 CE1 HIS A 61 2.767 -19.318 10.636 1.00 0.00 C ATOM 982 NE2 HIS A 61 1.731 -20.048 11.011 1.00 0.00 N ATOM 0 H HIS A 61 0.235 -14.978 14.158 1.00 0.00 H new ATOM 0 HA HIS A 61 1.386 -15.466 11.526 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.218 -16.681 13.528 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.620 -17.348 13.796 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.112 -19.681 12.434 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.512 -19.605 9.909 1.00 0.00 H new ATOM 0 HE2 HIS A 61 1.504 -20.980 10.663 1.00 0.00 H new ATOM 990 N ASP A 62 -0.930 -15.503 10.517 1.00 0.00 N ATOM 991 CA ASP A 62 -2.003 -15.890 9.613 1.00 0.00 C ATOM 992 C ASP A 62 -1.655 -15.474 8.200 1.00 0.00 C ATOM 993 O ASP A 62 -1.710 -14.287 7.864 1.00 0.00 O ATOM 994 CB ASP A 62 -3.349 -15.323 10.015 1.00 0.00 C ATOM 995 CG ASP A 62 -4.468 -16.059 9.315 1.00 0.00 C ATOM 996 OD1 ASP A 62 -4.668 -15.837 8.110 1.00 0.00 O ATOM 997 OD2 ASP A 62 -5.135 -16.895 9.973 1.00 0.00 O ATOM 0 H ASP A 62 -0.476 -14.622 10.274 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.096 -16.975 9.669 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.475 -15.402 11.095 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.392 -14.263 9.765 1.00 0.00 H new ATOM 1002 N GLU A 63 -1.262 -16.431 7.398 1.00 0.00 N ATOM 1003 CA GLU A 63 -0.841 -16.177 6.028 1.00 0.00 C ATOM 1004 C GLU A 63 -1.886 -15.427 5.171 1.00 0.00 C ATOM 1005 O GLU A 63 -1.550 -14.432 4.525 1.00 0.00 O ATOM 1006 CB GLU A 63 -0.409 -17.489 5.332 1.00 0.00 C ATOM 1007 CG GLU A 63 -1.470 -18.594 5.311 1.00 0.00 C ATOM 1008 CD GLU A 63 -1.659 -19.275 6.660 1.00 0.00 C ATOM 1009 OE1 GLU A 63 -0.919 -20.228 6.959 1.00 0.00 O ATOM 1010 OE2 GLU A 63 -2.553 -18.856 7.426 1.00 0.00 O ATOM 0 H GLU A 63 -1.222 -17.413 7.670 1.00 0.00 H new ATOM 0 HA GLU A 63 0.015 -15.507 6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.125 -17.260 4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.481 -17.871 5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.421 -18.169 4.990 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.190 -19.343 4.570 1.00 0.00 H new ATOM 1017 N ASP A 64 -3.134 -15.876 5.164 1.00 0.00 N ATOM 1018 CA ASP A 64 -4.120 -15.250 4.276 1.00 0.00 C ATOM 1019 C ASP A 64 -4.629 -13.909 4.811 1.00 0.00 C ATOM 1020 O ASP A 64 -4.843 -12.967 4.035 1.00 0.00 O ATOM 1021 CB ASP A 64 -5.286 -16.199 3.908 1.00 0.00 C ATOM 1022 CG ASP A 64 -6.398 -16.258 4.933 1.00 0.00 C ATOM 1023 OD1 ASP A 64 -6.337 -17.112 5.834 1.00 0.00 O ATOM 1024 OD2 ASP A 64 -7.365 -15.469 4.809 1.00 0.00 O ATOM 0 H ASP A 64 -3.485 -16.643 5.738 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.586 -15.038 3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.706 -15.883 2.953 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.888 -17.204 3.765 1.00 0.00 H new ATOM 1029 N VAL A 65 -4.808 -13.809 6.123 1.00 0.00 N ATOM 1030 CA VAL A 65 -5.305 -12.575 6.732 1.00 0.00 C ATOM 1031 C VAL A 65 -4.311 -11.414 6.567 1.00 0.00 C ATOM 1032 O VAL A 65 -4.715 -10.284 6.250 1.00 0.00 O ATOM 1033 CB VAL A 65 -5.693 -12.771 8.229 1.00 0.00 C ATOM 1034 CG1 VAL A 65 -5.983 -11.437 8.909 1.00 0.00 C ATOM 1035 CG2 VAL A 65 -6.912 -13.678 8.337 1.00 0.00 C ATOM 0 H VAL A 65 -4.618 -14.562 6.785 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.215 -12.311 6.193 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.846 -13.234 8.736 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.250 -11.610 9.951 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.097 -10.804 8.862 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.810 -10.941 8.400 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.176 -13.809 9.386 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.750 -13.226 7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.684 -14.648 7.896 1.00 0.00 H new ATOM 1045 N LEU A 66 -3.014 -11.693 6.750 1.00 0.00 N ATOM 1046 CA LEU A 66 -1.988 -10.645 6.654 1.00 0.00 C ATOM 1047 C LEU A 66 -1.999 -9.938 5.290 1.00 0.00 C ATOM 1048 O LEU A 66 -2.087 -8.710 5.233 1.00 0.00 O ATOM 1049 CB LEU A 66 -0.588 -11.226 6.914 1.00 0.00 C ATOM 1050 CG LEU A 66 -0.165 -11.390 8.380 1.00 0.00 C ATOM 1051 CD1 LEU A 66 1.124 -12.191 8.462 1.00 0.00 C ATOM 1052 CD2 LEU A 66 0.024 -10.026 9.031 1.00 0.00 C ATOM 0 H LEU A 66 -2.653 -12.623 6.963 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.228 -9.907 7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.532 -12.203 6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.142 -10.585 6.420 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.950 -11.926 8.914 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.417 -12.303 9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.969 -13.176 8.021 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.912 -11.670 7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.324 -10.157 10.071 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.797 -9.472 8.498 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.913 -9.471 8.991 1.00 0.00 H new ATOM 1064 N PHE A 67 -1.932 -10.700 4.199 1.00 0.00 N ATOM 1065 CA PHE A 67 -1.933 -10.102 2.857 1.00 0.00 C ATOM 1066 C PHE A 67 -3.250 -9.381 2.540 1.00 0.00 C ATOM 1067 O PHE A 67 -3.247 -8.356 1.852 1.00 0.00 O ATOM 1068 CB PHE A 67 -1.590 -11.135 1.767 1.00 0.00 C ATOM 1069 CG PHE A 67 -0.183 -11.671 1.863 1.00 0.00 C ATOM 1070 CD1 PHE A 67 0.900 -10.901 1.457 1.00 0.00 C ATOM 1071 CD2 PHE A 67 0.057 -12.943 2.355 1.00 0.00 C ATOM 1072 CE1 PHE A 67 2.192 -11.390 1.547 1.00 0.00 C ATOM 1073 CE2 PHE A 67 1.347 -13.440 2.445 1.00 0.00 C ATOM 1074 CZ PHE A 67 2.413 -12.662 2.036 1.00 0.00 C ATOM 0 H PHE A 67 -1.877 -11.718 4.212 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.146 -9.348 2.858 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.292 -11.966 1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.729 -10.677 0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.732 -9.908 1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.773 -13.556 2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.025 -10.778 1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.519 -14.433 2.834 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.419 -13.049 2.099 1.00 0.00 H new ATOM 1084 N ASN A 68 -4.368 -9.909 3.043 1.00 0.00 N ATOM 1085 CA ASN A 68 -5.686 -9.299 2.805 1.00 0.00 C ATOM 1086 C ASN A 68 -5.709 -7.850 3.308 1.00 0.00 C ATOM 1087 O ASN A 68 -6.081 -6.931 2.580 1.00 0.00 O ATOM 1088 CB ASN A 68 -6.769 -10.112 3.533 1.00 0.00 C ATOM 1089 CG ASN A 68 -8.166 -9.530 3.379 1.00 0.00 C ATOM 1090 OD1 ASN A 68 -8.592 -8.682 4.164 1.00 0.00 O ATOM 1091 ND2 ASN A 68 -8.890 -9.993 2.375 1.00 0.00 N ATOM 0 H ASN A 68 -4.392 -10.753 3.615 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.882 -9.300 1.733 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.765 -11.133 3.151 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.521 -10.167 4.593 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.839 -9.648 2.228 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.500 -10.696 1.747 1.00 0.00 H new ATOM 1098 N MET A 69 -5.291 -7.669 4.550 1.00 0.00 N ATOM 1099 CA MET A 69 -5.209 -6.329 5.149 1.00 0.00 C ATOM 1100 C MET A 69 -4.241 -5.423 4.395 1.00 0.00 C ATOM 1101 O MET A 69 -4.490 -4.230 4.249 1.00 0.00 O ATOM 1102 CB MET A 69 -4.801 -6.396 6.617 1.00 0.00 C ATOM 1103 CG MET A 69 -5.819 -7.068 7.517 1.00 0.00 C ATOM 1104 SD MET A 69 -5.366 -6.952 9.259 1.00 0.00 S ATOM 1105 CE MET A 69 -3.843 -7.887 9.275 1.00 0.00 C ATOM 0 H MET A 69 -5.002 -8.426 5.169 1.00 0.00 H new ATOM 0 HA MET A 69 -6.209 -5.902 5.077 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.855 -6.931 6.695 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.625 -5.383 6.980 1.00 0.00 H new ATOM 0 HG2 MET A 69 -6.796 -6.608 7.365 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.914 -8.117 7.237 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.541 -8.074 10.306 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.994 -8.837 8.763 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.063 -7.321 8.766 1.00 0.00 H new ATOM 1115 N CYS A 70 -3.155 -5.996 3.913 1.00 0.00 N ATOM 1116 CA CYS A 70 -2.132 -5.222 3.219 1.00 0.00 C ATOM 1117 C CYS A 70 -2.675 -4.558 1.940 1.00 0.00 C ATOM 1118 O CYS A 70 -2.502 -3.355 1.738 1.00 0.00 O ATOM 1119 CB CYS A 70 -0.936 -6.111 2.878 1.00 0.00 C ATOM 1120 SG CYS A 70 -0.078 -6.792 4.317 1.00 0.00 S ATOM 0 H CYS A 70 -2.954 -6.993 3.987 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.815 -4.427 3.894 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.278 -6.934 2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -0.226 -5.533 2.287 1.00 0.00 H new ATOM 0 HG CYS A 70 -0.666 -7.889 4.694 1.00 0.00 H new ATOM 1126 N THR A 71 -3.353 -5.332 1.100 1.00 0.00 N ATOM 1127 CA THR A 71 -3.873 -4.807 -0.162 1.00 0.00 C ATOM 1128 C THR A 71 -5.080 -3.869 0.050 1.00 0.00 C ATOM 1129 O THR A 71 -5.209 -2.843 -0.627 1.00 0.00 O ATOM 1130 CB THR A 71 -4.223 -5.948 -1.168 1.00 0.00 C ATOM 1131 OG1 THR A 71 -4.667 -5.397 -2.413 1.00 0.00 O ATOM 1132 CG2 THR A 71 -5.295 -6.880 -0.614 1.00 0.00 C ATOM 0 H THR A 71 -3.556 -6.318 1.266 1.00 0.00 H new ATOM 0 HA THR A 71 -3.071 -4.213 -0.600 1.00 0.00 H new ATOM 0 HB THR A 71 -3.315 -6.529 -1.327 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.881 -6.124 -3.034 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.511 -7.661 -1.344 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.939 -7.335 0.310 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.203 -6.311 -0.412 1.00 0.00 H new ATOM 1140 N ASP A 72 -5.938 -4.211 1.007 1.00 0.00 N ATOM 1141 CA ASP A 72 -7.142 -3.420 1.304 1.00 0.00 C ATOM 1142 C ASP A 72 -6.787 -2.029 1.850 1.00 0.00 C ATOM 1143 O ASP A 72 -7.473 -1.037 1.570 1.00 0.00 O ATOM 1144 CB ASP A 72 -8.037 -4.169 2.298 1.00 0.00 C ATOM 1145 CG ASP A 72 -9.287 -3.394 2.669 1.00 0.00 C ATOM 1146 OD1 ASP A 72 -10.071 -3.041 1.762 1.00 0.00 O ATOM 1147 OD2 ASP A 72 -9.501 -3.148 3.871 1.00 0.00 O ATOM 0 H ASP A 72 -5.826 -5.035 1.597 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.685 -3.279 0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.325 -5.128 1.868 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.467 -4.383 3.202 1.00 0.00 H new ATOM 1152 N TRP A 73 -5.691 -1.963 2.583 1.00 0.00 N ATOM 1153 CA TRP A 73 -5.274 -0.717 3.220 1.00 0.00 C ATOM 1154 C TRP A 73 -4.735 0.260 2.167 1.00 0.00 C ATOM 1155 O TRP A 73 -4.990 1.469 2.212 1.00 0.00 O ATOM 1156 CB TRP A 73 -4.232 -0.983 4.307 1.00 0.00 C ATOM 1157 CG TRP A 73 -3.803 0.253 5.039 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -4.482 0.897 6.029 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -2.593 0.982 4.841 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -3.767 1.986 6.452 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -2.601 2.057 5.741 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -1.506 0.826 3.989 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -1.555 2.973 5.815 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -0.469 1.732 4.061 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -0.501 2.797 4.963 1.00 0.00 C ATOM 0 H TRP A 73 -5.071 -2.754 2.755 1.00 0.00 H new ATOM 0 HA TRP A 73 -6.142 -0.263 3.698 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -4.639 -1.697 5.023 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -3.357 -1.450 3.854 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -5.441 0.594 6.422 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -4.057 2.639 7.180 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -1.474 0.009 3.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -1.576 3.792 6.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 0.383 1.616 3.408 1.00 0.00 H new ATOM 0 HH2 TRP A 73 0.323 3.495 4.988 1.00 0.00 H new ATOM 1176 N LEU A 74 -4.021 -0.304 1.201 1.00 0.00 N ATOM 1177 CA LEU A 74 -3.384 0.478 0.144 1.00 0.00 C ATOM 1178 C LEU A 74 -4.439 1.150 -0.739 1.00 0.00 C ATOM 1179 O LEU A 74 -4.314 2.313 -1.107 1.00 0.00 O ATOM 1180 CB LEU A 74 -2.439 -0.385 -0.706 1.00 0.00 C ATOM 1181 CG LEU A 74 -1.128 -0.837 -0.032 1.00 0.00 C ATOM 1182 CD1 LEU A 74 -0.372 -1.791 -0.945 1.00 0.00 C ATOM 1183 CD2 LEU A 74 -0.262 0.372 0.302 1.00 0.00 C ATOM 0 H LEU A 74 -3.867 -1.309 1.126 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.784 1.252 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.983 -1.274 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.185 0.173 -1.607 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.371 -1.357 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.552 -2.104 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.989 -2.666 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.137 -1.287 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.660 0.039 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.023 0.913 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.803 1.030 0.982 1.00 0.00 H new ATOM 1195 N ASN A 75 -5.485 0.400 -1.046 1.00 0.00 N ATOM 1196 CA ASN A 75 -6.583 0.898 -1.890 1.00 0.00 C ATOM 1197 C ASN A 75 -7.278 2.099 -1.246 1.00 0.00 C ATOM 1198 O ASN A 75 -7.658 3.055 -1.925 1.00 0.00 O ATOM 1199 CB ASN A 75 -7.606 -0.205 -2.152 1.00 0.00 C ATOM 1200 CG ASN A 75 -8.742 0.237 -3.065 1.00 0.00 C ATOM 1201 OD1 ASN A 75 -8.543 1.016 -4.002 1.00 0.00 O ATOM 1202 ND2 ASN A 75 -9.942 -0.245 -2.788 1.00 0.00 N ATOM 0 H ASN A 75 -5.606 -0.561 -0.727 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.148 1.215 -2.838 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.101 -1.061 -2.599 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.021 -0.540 -1.202 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.744 0.025 -3.358 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.066 -0.887 -2.005 1.00 0.00 H new ATOM 1209 N HIS A 76 -7.412 2.049 0.064 1.00 0.00 N ATOM 1210 CA HIS A 76 -8.112 3.076 0.835 1.00 0.00 C ATOM 1211 C HIS A 76 -7.514 4.491 0.645 1.00 0.00 C ATOM 1212 O HIS A 76 -8.249 5.476 0.607 1.00 0.00 O ATOM 1213 CB HIS A 76 -8.179 2.654 2.333 1.00 0.00 C ATOM 1214 CG HIS A 76 -7.615 3.645 3.326 1.00 0.00 C ATOM 1215 ND1 HIS A 76 -8.359 4.664 3.882 1.00 0.00 N ATOM 1216 CD2 HIS A 76 -6.371 3.750 3.869 1.00 0.00 C ATOM 1217 CE1 HIS A 76 -7.608 5.354 4.713 1.00 0.00 C ATOM 1218 NE2 HIS A 76 -6.396 4.821 4.727 1.00 0.00 N ATOM 0 H HIS A 76 -7.038 1.291 0.635 1.00 0.00 H new ATOM 0 HA HIS A 76 -9.129 3.149 0.449 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -9.221 2.465 2.590 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -7.646 1.710 2.448 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.525 3.111 3.664 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -7.927 6.211 5.287 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.609 5.152 5.285 1.00 0.00 H new ATOM 1226 N MET A 77 -6.192 4.582 0.529 1.00 0.00 N ATOM 1227 CA MET A 77 -5.533 5.891 0.412 1.00 0.00 C ATOM 1228 C MET A 77 -5.669 6.516 -0.984 1.00 0.00 C ATOM 1229 O MET A 77 -5.549 7.735 -1.125 1.00 0.00 O ATOM 1230 CB MET A 77 -4.052 5.818 0.815 1.00 0.00 C ATOM 1231 CG MET A 77 -3.172 5.002 -0.124 1.00 0.00 C ATOM 1232 SD MET A 77 -1.418 5.133 0.284 1.00 0.00 S ATOM 1233 CE MET A 77 -1.409 4.497 1.958 1.00 0.00 C ATOM 0 H MET A 77 -5.559 3.782 0.513 1.00 0.00 H new ATOM 0 HA MET A 77 -6.058 6.544 1.109 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.655 6.832 0.872 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.983 5.392 1.816 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.474 3.956 -0.082 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.330 5.339 -1.149 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.569 3.814 2.083 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.312 5.324 2.661 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.341 3.965 2.150 1.00 0.00 H new ATOM 1243 N TYR A 78 -5.928 5.695 -2.011 1.00 0.00 N ATOM 1244 CA TYR A 78 -5.973 6.207 -3.386 1.00 0.00 C ATOM 1245 C TYR A 78 -7.021 7.294 -3.567 1.00 0.00 C ATOM 1246 O TYR A 78 -6.709 8.374 -4.049 1.00 0.00 O ATOM 1247 CB TYR A 78 -6.243 5.090 -4.398 1.00 0.00 C ATOM 1248 CG TYR A 78 -5.136 4.099 -4.538 1.00 0.00 C ATOM 1249 CD1 TYR A 78 -3.836 4.511 -4.756 1.00 0.00 C ATOM 1250 CD2 TYR A 78 -5.391 2.749 -4.454 1.00 0.00 C ATOM 1251 CE1 TYR A 78 -2.817 3.600 -4.887 1.00 0.00 C ATOM 1252 CE2 TYR A 78 -4.382 1.824 -4.581 1.00 0.00 C ATOM 1253 CZ TYR A 78 -3.095 2.253 -4.797 1.00 0.00 C ATOM 1254 OH TYR A 78 -2.080 1.332 -4.924 1.00 0.00 O ATOM 0 H TYR A 78 -6.106 4.695 -1.920 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.988 6.636 -3.571 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.150 4.563 -4.104 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.437 5.539 -5.372 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.617 5.566 -4.825 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.402 2.410 -4.285 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.805 3.936 -5.059 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.599 0.768 -4.512 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.446 0.427 -4.835 1.00 0.00 H new ATOM 1264 N ASP A 79 -8.241 7.021 -3.148 1.00 0.00 N ATOM 1265 CA ASP A 79 -9.350 7.964 -3.351 1.00 0.00 C ATOM 1266 C ASP A 79 -9.101 9.314 -2.656 1.00 0.00 C ATOM 1267 O ASP A 79 -9.291 10.376 -3.254 1.00 0.00 O ATOM 1268 CB ASP A 79 -10.661 7.343 -2.869 1.00 0.00 C ATOM 1269 CG ASP A 79 -11.854 8.242 -3.103 1.00 0.00 C ATOM 1270 OD1 ASP A 79 -12.284 8.377 -4.277 1.00 0.00 O ATOM 1271 OD2 ASP A 79 -12.372 8.810 -2.124 1.00 0.00 O ATOM 0 H ASP A 79 -8.500 6.160 -2.666 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.419 8.165 -4.420 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.820 6.395 -3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.583 7.120 -1.805 1.00 0.00 H new ATOM 1276 N GLN A 80 -8.676 9.256 -1.409 1.00 0.00 N ATOM 1277 CA GLN A 80 -8.392 10.460 -0.625 1.00 0.00 C ATOM 1278 C GLN A 80 -7.300 11.349 -1.266 1.00 0.00 C ATOM 1279 O GLN A 80 -7.421 12.573 -1.284 1.00 0.00 O ATOM 1280 CB GLN A 80 -7.999 10.083 0.805 1.00 0.00 C ATOM 1281 CG GLN A 80 -7.816 11.280 1.726 1.00 0.00 C ATOM 1282 CD GLN A 80 -7.475 10.882 3.143 1.00 0.00 C ATOM 1283 OE1 GLN A 80 -6.827 9.862 3.377 1.00 0.00 O ATOM 1284 NE2 GLN A 80 -7.906 11.685 4.097 1.00 0.00 N ATOM 0 H GLN A 80 -8.516 8.383 -0.906 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.309 11.049 -0.607 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.765 9.429 1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.071 9.511 0.778 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.025 11.918 1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.731 11.873 1.730 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.440 12.520 3.858 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.705 11.470 5.074 1.00 0.00 H new ATOM 1293 N LEU A 81 -6.263 10.733 -1.817 1.00 0.00 N ATOM 1294 CA LEU A 81 -5.141 11.491 -2.404 1.00 0.00 C ATOM 1295 C LEU A 81 -5.415 11.895 -3.852 1.00 0.00 C ATOM 1296 O LEU A 81 -4.578 12.507 -4.509 1.00 0.00 O ATOM 1297 CB LEU A 81 -3.849 10.681 -2.317 1.00 0.00 C ATOM 1298 CG LEU A 81 -3.384 10.332 -0.899 1.00 0.00 C ATOM 1299 CD1 LEU A 81 -2.146 9.453 -0.946 1.00 0.00 C ATOM 1300 CD2 LEU A 81 -3.113 11.598 -0.099 1.00 0.00 C ATOM 0 H LEU A 81 -6.165 9.719 -1.875 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.031 12.408 -1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.983 9.754 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.056 11.240 -2.814 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.180 9.777 -0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.830 9.215 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.375 8.531 -1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.344 9.981 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.784 11.330 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.335 12.181 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.026 12.191 -0.036 1.00 0.00 H new ATOM 1312 N LYS A 82 -6.597 11.567 -4.323 1.00 0.00 N ATOM 1313 CA LYS A 82 -6.978 11.874 -5.691 1.00 0.00 C ATOM 1314 C LYS A 82 -7.552 13.274 -5.823 1.00 0.00 C ATOM 1315 O LYS A 82 -7.701 13.792 -6.930 1.00 0.00 O ATOM 1316 CB LYS A 82 -7.900 10.817 -6.270 1.00 0.00 C ATOM 1317 CG LYS A 82 -7.150 9.562 -6.680 1.00 0.00 C ATOM 1318 CD LYS A 82 -8.083 8.456 -7.108 1.00 0.00 C ATOM 1319 CE LYS A 82 -7.316 7.272 -7.671 1.00 0.00 C ATOM 1320 NZ LYS A 82 -6.568 7.650 -8.894 1.00 0.00 N ATOM 0 H LYS A 82 -7.315 11.087 -3.781 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.066 11.857 -6.288 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.661 10.559 -5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.420 11.226 -7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.469 9.798 -7.498 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.539 9.217 -5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.681 8.132 -6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.776 8.833 -7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.623 6.894 -6.920 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.009 6.463 -7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.742 6.946 -9.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.886 8.585 -9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.550 7.685 -8.682 1.00 0.00 H new ATOM 1334 N ASP A 83 -7.890 13.878 -4.692 1.00 0.00 N ATOM 1335 CA ASP A 83 -8.397 15.251 -4.686 1.00 0.00 C ATOM 1336 C ASP A 83 -7.313 16.222 -5.144 1.00 0.00 C ATOM 1337 O ASP A 83 -7.582 17.178 -5.873 1.00 0.00 O ATOM 1338 CB ASP A 83 -8.905 15.638 -3.294 1.00 0.00 C ATOM 1339 CG ASP A 83 -10.336 15.201 -3.056 1.00 0.00 C ATOM 1340 OD1 ASP A 83 -11.260 15.871 -3.562 1.00 0.00 O ATOM 1341 OD2 ASP A 83 -10.544 14.182 -2.362 1.00 0.00 O ATOM 0 H ASP A 83 -7.824 13.446 -3.770 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.233 15.307 -5.383 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.261 15.189 -2.538 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.834 16.719 -3.172 1.00 0.00 H new