USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 683 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 58 ASN : amide:sc= -1.34 K(o=-6.3,f=-3.8) USER MOD Set 1.2: A 76 GLN : amide:sc= -4.97! C(o=-6.3!,f=-4.4!) USER MOD Set 2.1: A 51 THR OG1 : rot 96:sc= 0.8 USER MOD Set 2.2: A 52 HIS : no HD1:sc= -0.832 K(o=-0.032,f=-12!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.1) USER MOD Single : A 16 CYS SG : rot 76:sc= 1.23 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc=-0.00922 X(o=-0.0092,f=-0.013) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -154:sc= -1.75 (180deg=-4.15!) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 176:sc= 0 USER MOD Single : A 37 MET CE :methyl 176:sc= -0.016 (180deg=-0.0786) USER MOD Single : A 38 GLN : amide:sc= -0.677 K(o=-0.68,f=-1.5!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -88:sc= 0.922 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -157:sc= -0.154 (180deg=-0.717) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= -0.203 (180deg=-0.346) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0.217 USER MOD Single : A 84 GLN : amide:sc= -0.112 K(o=-0.11,f=-2.1!) USER MOD Single : A 85 MET CE :methyl 179:sc= -6.94! (180deg=-6.95!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -140:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 86 N LYS A 9 -2.089 18.687 -4.745 1.00 0.00 N ATOM 87 CA LYS A 9 -1.323 17.533 -4.287 1.00 0.00 C ATOM 88 C LYS A 9 -2.051 16.233 -4.614 1.00 0.00 C ATOM 89 O LYS A 9 -3.271 16.217 -4.779 1.00 0.00 O ATOM 90 CB LYS A 9 -1.074 17.626 -2.780 1.00 0.00 C ATOM 91 CG LYS A 9 0.135 16.834 -2.313 1.00 0.00 C ATOM 92 CD LYS A 9 1.434 17.490 -2.749 1.00 0.00 C ATOM 93 CE LYS A 9 1.756 18.708 -1.896 1.00 0.00 C ATOM 94 NZ LYS A 9 3.133 19.214 -2.151 1.00 0.00 N ATOM 0 HA LYS A 9 -0.365 17.533 -4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.940 18.673 -2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.958 17.269 -2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.117 16.748 -1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.085 15.822 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.249 16.769 -2.678 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.360 17.786 -3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.034 19.498 -2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.653 18.451 -0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.314 20.044 -1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.823 18.469 -1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.224 19.483 -3.151 1.00 0.00 H new ATOM 108 N VAL A 10 -1.295 15.144 -4.704 1.00 0.00 N ATOM 109 CA VAL A 10 -1.868 13.838 -5.008 1.00 0.00 C ATOM 110 C VAL A 10 -1.485 12.810 -3.950 1.00 0.00 C ATOM 111 O VAL A 10 -0.336 12.725 -3.517 1.00 0.00 O ATOM 112 CB VAL A 10 -1.410 13.332 -6.389 1.00 0.00 C ATOM 113 CG1 VAL A 10 0.104 13.192 -6.432 1.00 0.00 C ATOM 114 CG2 VAL A 10 -2.086 12.010 -6.722 1.00 0.00 C ATOM 0 H VAL A 10 -0.284 15.140 -4.571 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.951 13.961 -5.015 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.704 14.064 -7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.408 12.833 -7.415 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.565 14.161 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.425 12.481 -5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.751 11.667 -7.701 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.824 11.268 -5.968 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.167 12.148 -6.736 1.00 0.00 H new ATOM 124 N PRO A 11 -2.471 12.007 -3.521 1.00 0.00 N ATOM 125 CA PRO A 11 -2.261 10.968 -2.509 1.00 0.00 C ATOM 126 C PRO A 11 -1.414 9.812 -3.030 1.00 0.00 C ATOM 127 O PRO A 11 -1.323 9.572 -4.234 1.00 0.00 O ATOM 128 CB PRO A 11 -3.681 10.490 -2.192 1.00 0.00 C ATOM 129 CG PRO A 11 -4.467 10.798 -3.420 1.00 0.00 C ATOM 130 CD PRO A 11 -3.865 12.051 -3.993 1.00 0.00 C ATOM 0 HA PRO A 11 -1.720 11.347 -1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.699 9.424 -1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.087 11.006 -1.322 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.412 9.977 -4.135 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.521 10.944 -3.183 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.920 12.062 -5.082 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.381 12.943 -3.639 1.00 0.00 H new ATOM 138 N PRO A 12 -0.778 9.079 -2.104 1.00 0.00 N ATOM 139 CA PRO A 12 0.072 7.935 -2.447 1.00 0.00 C ATOM 140 C PRO A 12 -0.732 6.752 -2.974 1.00 0.00 C ATOM 141 O PRO A 12 -0.169 5.788 -3.494 1.00 0.00 O ATOM 142 CB PRO A 12 0.740 7.578 -1.117 1.00 0.00 C ATOM 143 CG PRO A 12 -0.201 8.077 -0.075 1.00 0.00 C ATOM 144 CD PRO A 12 -0.842 9.309 -0.651 1.00 0.00 C ATOM 0 HA PRO A 12 0.777 8.176 -3.243 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.895 6.503 -1.028 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.718 8.050 -1.026 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.951 7.324 0.166 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.328 8.308 0.850 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.870 9.425 -0.307 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.306 10.213 -0.363 1.00 0.00 H new ATOM 152 N PHE A 13 -2.051 6.831 -2.837 1.00 0.00 N ATOM 153 CA PHE A 13 -2.933 5.766 -3.299 1.00 0.00 C ATOM 154 C PHE A 13 -3.944 6.297 -4.311 1.00 0.00 C ATOM 155 O PHE A 13 -5.005 5.706 -4.512 1.00 0.00 O ATOM 156 CB PHE A 13 -3.666 5.131 -2.115 1.00 0.00 C ATOM 157 CG PHE A 13 -2.743 4.580 -1.065 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.655 3.800 -1.421 1.00 0.00 C ATOM 159 CD2 PHE A 13 -2.965 4.842 0.277 1.00 0.00 C ATOM 160 CE1 PHE A 13 -0.804 3.291 -0.458 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.117 4.336 1.245 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.036 3.559 0.877 1.00 0.00 C ATOM 0 H PHE A 13 -2.533 7.622 -2.410 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.320 5.008 -3.787 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.318 5.876 -1.659 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.306 4.329 -2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.469 3.587 -2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.809 5.448 0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.041 2.685 -0.749 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.300 4.548 2.288 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.373 3.162 1.632 1.00 0.00 H new ATOM 172 N GLN A 14 -3.607 7.416 -4.944 1.00 0.00 N ATOM 173 CA GLN A 14 -4.486 8.028 -5.933 1.00 0.00 C ATOM 174 C GLN A 14 -4.970 6.994 -6.945 1.00 0.00 C ATOM 175 O GLN A 14 -4.170 6.381 -7.652 1.00 0.00 O ATOM 176 CB GLN A 14 -3.761 9.165 -6.656 1.00 0.00 C ATOM 177 CG GLN A 14 -4.543 9.738 -7.827 1.00 0.00 C ATOM 178 CD GLN A 14 -5.865 10.346 -7.404 1.00 0.00 C ATOM 179 OE1 GLN A 14 -6.914 9.706 -7.494 1.00 0.00 O ATOM 180 NE2 GLN A 14 -5.824 11.589 -6.939 1.00 0.00 N ATOM 0 H GLN A 14 -2.732 7.917 -4.790 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.353 8.433 -5.411 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.553 9.963 -5.943 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.799 8.800 -7.016 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.940 10.498 -8.324 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.727 8.949 -8.557 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.933 12.083 -6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.683 12.050 -6.639 1.00 0.00 H new ATOM 189 N ASP A 15 -6.283 6.805 -7.007 1.00 0.00 N ATOM 190 CA ASP A 15 -6.874 5.845 -7.932 1.00 0.00 C ATOM 191 C ASP A 15 -6.151 4.504 -7.861 1.00 0.00 C ATOM 192 O ASP A 15 -5.828 3.906 -8.888 1.00 0.00 O ATOM 193 CB ASP A 15 -6.829 6.388 -9.362 1.00 0.00 C ATOM 194 CG ASP A 15 -7.581 5.507 -10.340 1.00 0.00 C ATOM 195 OD1 ASP A 15 -8.828 5.576 -10.362 1.00 0.00 O ATOM 196 OD2 ASP A 15 -6.923 4.750 -11.083 1.00 0.00 O ATOM 0 H ASP A 15 -6.959 7.304 -6.428 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.913 5.692 -7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.255 7.391 -9.380 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.791 6.476 -9.681 1.00 0.00 H new ATOM 201 N CYS A 16 -5.897 4.039 -6.643 1.00 0.00 N ATOM 202 CA CYS A 16 -5.210 2.769 -6.437 1.00 0.00 C ATOM 203 C CYS A 16 -5.929 1.925 -5.390 1.00 0.00 C ATOM 204 O CYS A 16 -6.106 2.352 -4.249 1.00 0.00 O ATOM 205 CB CYS A 16 -3.762 3.014 -6.006 1.00 0.00 C ATOM 206 SG CYS A 16 -2.739 3.803 -7.271 1.00 0.00 S ATOM 0 H CYS A 16 -6.156 4.522 -5.783 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.214 2.224 -7.381 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.761 3.638 -5.112 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.310 2.061 -5.731 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.031 5.068 -7.339 1.00 0.00 H new ATOM 212 N ILE A 17 -6.341 0.726 -5.786 1.00 0.00 N ATOM 213 CA ILE A 17 -7.042 -0.178 -4.882 1.00 0.00 C ATOM 214 C ILE A 17 -6.083 -1.192 -4.267 1.00 0.00 C ATOM 215 O ILE A 17 -5.180 -1.695 -4.937 1.00 0.00 O ATOM 216 CB ILE A 17 -8.174 -0.931 -5.605 1.00 0.00 C ATOM 217 CG1 ILE A 17 -9.066 0.052 -6.366 1.00 0.00 C ATOM 218 CG2 ILE A 17 -8.995 -1.737 -4.609 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.702 -0.542 -7.603 1.00 0.00 C ATOM 0 H ILE A 17 -6.202 0.358 -6.727 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.473 0.437 -4.092 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.730 -1.621 -6.323 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.851 0.409 -5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.473 0.920 -6.653 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.791 -2.263 -5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.351 -2.460 -4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.431 -1.066 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.320 0.211 -8.092 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.923 -0.873 -8.289 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.322 -1.393 -7.321 1.00 0.00 H new ATOM 231 N LEU A 18 -6.287 -1.490 -2.989 1.00 0.00 N ATOM 232 CA LEU A 18 -5.442 -2.447 -2.282 1.00 0.00 C ATOM 233 C LEU A 18 -6.264 -3.283 -1.307 1.00 0.00 C ATOM 234 O LEU A 18 -7.303 -2.840 -0.818 1.00 0.00 O ATOM 235 CB LEU A 18 -4.327 -1.716 -1.532 1.00 0.00 C ATOM 236 CG LEU A 18 -3.633 -0.587 -2.295 1.00 0.00 C ATOM 237 CD1 LEU A 18 -4.343 0.736 -2.052 1.00 0.00 C ATOM 238 CD2 LEU A 18 -2.169 -0.491 -1.890 1.00 0.00 C ATOM 0 H LEU A 18 -7.030 -1.083 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.997 -3.116 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.744 -1.304 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.573 -2.447 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.681 -0.811 -3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.835 1.528 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.376 0.662 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.327 0.967 -0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.691 0.318 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.100 -0.290 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.667 -1.432 -2.116 1.00 0.00 H new ATOM 250 N SER A 19 -5.790 -4.492 -1.027 1.00 0.00 N ATOM 251 CA SER A 19 -6.482 -5.391 -0.111 1.00 0.00 C ATOM 252 C SER A 19 -5.546 -5.862 0.999 1.00 0.00 C ATOM 253 O SER A 19 -4.352 -5.563 0.988 1.00 0.00 O ATOM 254 CB SER A 19 -7.039 -6.597 -0.869 1.00 0.00 C ATOM 255 OG SER A 19 -6.071 -7.134 -1.755 1.00 0.00 O ATOM 0 H SER A 19 -4.929 -4.872 -1.421 1.00 0.00 H new ATOM 0 HA SER A 19 -7.308 -4.842 0.342 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.352 -7.363 -0.160 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.925 -6.300 -1.430 1.00 0.00 H new ATOM 0 HG SER A 19 -6.451 -7.905 -2.226 1.00 0.00 H new ATOM 261 N PHE A 20 -6.098 -6.600 1.956 1.00 0.00 N ATOM 262 CA PHE A 20 -5.314 -7.112 3.074 1.00 0.00 C ATOM 263 C PHE A 20 -5.754 -8.526 3.444 1.00 0.00 C ATOM 264 O PHE A 20 -6.932 -8.774 3.706 1.00 0.00 O ATOM 265 CB PHE A 20 -5.453 -6.189 4.287 1.00 0.00 C ATOM 266 CG PHE A 20 -5.345 -4.731 3.946 1.00 0.00 C ATOM 267 CD1 PHE A 20 -4.105 -4.135 3.777 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.483 -3.955 3.794 1.00 0.00 C ATOM 269 CE1 PHE A 20 -4.002 -2.793 3.462 1.00 0.00 C ATOM 270 CE2 PHE A 20 -6.386 -2.612 3.479 1.00 0.00 C ATOM 271 CZ PHE A 20 -5.144 -2.031 3.314 1.00 0.00 C ATOM 0 H PHE A 20 -7.085 -6.857 1.980 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.268 -7.144 2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.416 -6.372 4.764 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.683 -6.442 5.016 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.209 -4.726 3.893 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.457 -4.404 3.923 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.030 -2.341 3.332 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.280 -2.018 3.362 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.066 -0.982 3.070 1.00 0.00 H new ATOM 281 N LEU A 21 -4.799 -9.449 3.463 1.00 0.00 N ATOM 282 CA LEU A 21 -5.086 -10.840 3.800 1.00 0.00 C ATOM 283 C LEU A 21 -4.161 -11.333 4.908 1.00 0.00 C ATOM 284 O LEU A 21 -2.940 -11.216 4.810 1.00 0.00 O ATOM 285 CB LEU A 21 -4.936 -11.726 2.563 1.00 0.00 C ATOM 286 CG LEU A 21 -4.885 -13.233 2.819 1.00 0.00 C ATOM 287 CD1 LEU A 21 -6.280 -13.777 3.085 1.00 0.00 C ATOM 288 CD2 LEU A 21 -4.246 -13.953 1.640 1.00 0.00 C ATOM 0 H LEU A 21 -3.820 -9.260 3.249 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.114 -10.897 4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.768 -11.520 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.024 -11.435 2.041 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.273 -13.411 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.224 -14.851 3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.702 -13.284 3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.916 -13.587 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.218 -15.024 1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.831 -13.767 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.230 -13.584 1.495 1.00 0.00 H new ATOM 300 N GLY A 22 -4.752 -11.888 5.963 1.00 0.00 N ATOM 301 CA GLY A 22 -3.967 -12.393 7.073 1.00 0.00 C ATOM 302 C GLY A 22 -4.267 -11.670 8.372 1.00 0.00 C ATOM 303 O GLY A 22 -4.632 -12.295 9.368 1.00 0.00 O ATOM 0 H GLY A 22 -5.761 -11.996 6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.165 -13.457 7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.907 -12.291 6.840 1.00 0.00 H new ATOM 307 N PHE A 23 -4.111 -10.351 8.362 1.00 0.00 N ATOM 308 CA PHE A 23 -4.366 -9.543 9.549 1.00 0.00 C ATOM 309 C PHE A 23 -5.704 -9.912 10.182 1.00 0.00 C ATOM 310 O PHE A 23 -6.499 -10.646 9.595 1.00 0.00 O ATOM 311 CB PHE A 23 -4.351 -8.055 9.192 1.00 0.00 C ATOM 312 CG PHE A 23 -3.181 -7.654 8.340 1.00 0.00 C ATOM 313 CD1 PHE A 23 -3.258 -7.722 6.958 1.00 0.00 C ATOM 314 CD2 PHE A 23 -2.004 -7.210 8.920 1.00 0.00 C ATOM 315 CE1 PHE A 23 -2.183 -7.354 6.171 1.00 0.00 C ATOM 316 CE2 PHE A 23 -0.926 -6.841 8.138 1.00 0.00 C ATOM 317 CZ PHE A 23 -1.015 -6.914 6.762 1.00 0.00 C ATOM 0 H PHE A 23 -3.809 -9.819 7.546 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.575 -9.745 10.271 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.274 -7.806 8.668 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.338 -7.469 10.111 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.169 -8.067 6.490 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.928 -7.152 9.996 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.256 -7.410 5.095 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.014 -6.496 8.603 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.173 -6.628 6.149 1.00 0.00 H new ATOM 327 N SER A 24 -5.946 -9.398 11.384 1.00 0.00 N ATOM 328 CA SER A 24 -7.185 -9.677 12.100 1.00 0.00 C ATOM 329 C SER A 24 -8.258 -8.650 11.749 1.00 0.00 C ATOM 330 O SER A 24 -7.959 -7.477 11.524 1.00 0.00 O ATOM 331 CB SER A 24 -6.938 -9.678 13.609 1.00 0.00 C ATOM 332 OG SER A 24 -6.313 -8.476 14.025 1.00 0.00 O ATOM 0 H SER A 24 -5.300 -8.786 11.882 1.00 0.00 H new ATOM 0 HA SER A 24 -7.537 -10.663 11.797 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.885 -9.800 14.135 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.312 -10.529 13.877 1.00 0.00 H new ATOM 0 HG SER A 24 -6.168 -8.501 14.994 1.00 0.00 H new ATOM 338 N ASP A 25 -9.507 -9.100 11.705 1.00 0.00 N ATOM 339 CA ASP A 25 -10.625 -8.221 11.383 1.00 0.00 C ATOM 340 C ASP A 25 -10.389 -6.818 11.933 1.00 0.00 C ATOM 341 O ASP A 25 -10.665 -5.824 11.262 1.00 0.00 O ATOM 342 CB ASP A 25 -11.928 -8.791 11.947 1.00 0.00 C ATOM 343 CG ASP A 25 -12.092 -10.268 11.644 1.00 0.00 C ATOM 344 OD1 ASP A 25 -11.377 -11.084 12.263 1.00 0.00 O ATOM 345 OD2 ASP A 25 -12.937 -10.607 10.790 1.00 0.00 O ATOM 0 H ASP A 25 -9.771 -10.068 11.888 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.705 -8.158 10.298 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.950 -8.640 13.026 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.772 -8.242 11.530 1.00 0.00 H new ATOM 350 N GLU A 26 -9.879 -6.746 13.159 1.00 0.00 N ATOM 351 CA GLU A 26 -9.609 -5.464 13.799 1.00 0.00 C ATOM 352 C GLU A 26 -8.571 -4.671 13.011 1.00 0.00 C ATOM 353 O GLU A 26 -8.823 -3.539 12.597 1.00 0.00 O ATOM 354 CB GLU A 26 -9.122 -5.678 15.234 1.00 0.00 C ATOM 355 CG GLU A 26 -10.246 -5.897 16.232 1.00 0.00 C ATOM 356 CD GLU A 26 -11.264 -6.912 15.751 1.00 0.00 C ATOM 357 OE1 GLU A 26 -12.007 -6.600 14.797 1.00 0.00 O ATOM 358 OE2 GLU A 26 -11.319 -8.018 16.328 1.00 0.00 O ATOM 0 H GLU A 26 -9.645 -7.560 13.728 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.538 -4.894 13.819 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.454 -6.539 15.257 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.537 -4.812 15.543 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.825 -6.232 17.180 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.747 -4.948 16.423 1.00 0.00 H new ATOM 365 N GLU A 27 -7.404 -5.273 12.807 1.00 0.00 N ATOM 366 CA GLU A 27 -6.327 -4.621 12.070 1.00 0.00 C ATOM 367 C GLU A 27 -6.775 -4.266 10.655 1.00 0.00 C ATOM 368 O GLU A 27 -6.527 -3.160 10.173 1.00 0.00 O ATOM 369 CB GLU A 27 -5.096 -5.528 12.015 1.00 0.00 C ATOM 370 CG GLU A 27 -4.188 -5.397 13.226 1.00 0.00 C ATOM 371 CD GLU A 27 -3.586 -4.011 13.357 1.00 0.00 C ATOM 372 OE1 GLU A 27 -4.278 -3.111 13.877 1.00 0.00 O ATOM 373 OE2 GLU A 27 -2.424 -3.827 12.939 1.00 0.00 O ATOM 0 H GLU A 27 -7.180 -6.210 13.141 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.068 -3.700 12.592 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.422 -6.564 11.927 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.524 -5.296 11.116 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.755 -5.629 14.127 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.386 -6.132 13.155 1.00 0.00 H new ATOM 380 N LYS A 28 -7.435 -5.211 9.995 1.00 0.00 N ATOM 381 CA LYS A 28 -7.918 -5.000 8.635 1.00 0.00 C ATOM 382 C LYS A 28 -8.801 -3.758 8.559 1.00 0.00 C ATOM 383 O LYS A 28 -8.543 -2.886 7.731 1.00 0.00 O ATOM 384 CB LYS A 28 -8.699 -6.224 8.153 1.00 0.00 C ATOM 385 CG LYS A 28 -8.621 -6.444 6.653 1.00 0.00 C ATOM 386 CD LYS A 28 -9.320 -7.728 6.239 1.00 0.00 C ATOM 387 CE LYS A 28 -10.807 -7.503 6.010 1.00 0.00 C ATOM 388 NZ LYS A 28 -11.551 -8.788 5.898 1.00 0.00 N ATOM 0 H LYS A 28 -7.648 -6.131 10.380 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.054 -4.851 7.988 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.319 -7.110 8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.744 -6.114 8.442 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.076 -5.599 6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.576 -6.482 6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.864 -8.114 5.327 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.180 -8.485 7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.217 -6.917 6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.950 -6.920 5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.560 -8.592 5.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.177 -9.337 5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.435 -9.334 6.776 1.00 0.00 H new ATOM 402 N HIS A 29 -9.811 -3.705 9.414 1.00 0.00 N ATOM 403 CA HIS A 29 -10.717 -2.569 9.433 1.00 0.00 C ATOM 404 C HIS A 29 -9.911 -1.269 9.385 1.00 0.00 C ATOM 405 O HIS A 29 -10.097 -0.417 8.517 1.00 0.00 O ATOM 406 CB HIS A 29 -11.655 -2.641 10.639 1.00 0.00 C ATOM 407 CG HIS A 29 -12.821 -1.684 10.569 1.00 0.00 C ATOM 408 ND1 HIS A 29 -14.121 -2.102 10.345 1.00 0.00 N ATOM 409 CD2 HIS A 29 -12.869 -0.327 10.697 1.00 0.00 C ATOM 410 CE1 HIS A 29 -14.908 -1.036 10.339 1.00 0.00 C ATOM 411 NE2 HIS A 29 -14.130 0.063 10.557 1.00 0.00 N ATOM 0 H HIS A 29 -10.022 -4.431 10.099 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.355 -2.594 8.549 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.038 -3.658 10.728 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -11.083 -2.435 11.544 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.024 0.320 10.881 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.977 -1.037 10.188 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -14.463 1.026 10.605 1.00 0.00 H new ATOM 419 N SER A 30 -9.004 -1.135 10.348 1.00 0.00 N ATOM 420 CA SER A 30 -8.158 0.049 10.442 1.00 0.00 C ATOM 421 C SER A 30 -7.509 0.361 9.097 1.00 0.00 C ATOM 422 O SER A 30 -7.492 1.510 8.656 1.00 0.00 O ATOM 423 CB SER A 30 -7.079 -0.153 11.507 1.00 0.00 C ATOM 424 OG SER A 30 -7.625 -0.057 12.811 1.00 0.00 O ATOM 0 H SER A 30 -8.836 -1.832 11.074 1.00 0.00 H new ATOM 0 HA SER A 30 -8.786 0.893 10.727 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.612 -1.129 11.376 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.295 0.594 11.382 1.00 0.00 H new ATOM 0 HG SER A 30 -6.915 -0.191 13.473 1.00 0.00 H new ATOM 430 N MET A 31 -6.976 -0.670 8.450 1.00 0.00 N ATOM 431 CA MET A 31 -6.327 -0.507 7.155 1.00 0.00 C ATOM 432 C MET A 31 -7.277 0.133 6.147 1.00 0.00 C ATOM 433 O MET A 31 -6.970 1.174 5.566 1.00 0.00 O ATOM 434 CB MET A 31 -5.843 -1.859 6.629 1.00 0.00 C ATOM 435 CG MET A 31 -4.744 -2.482 7.475 1.00 0.00 C ATOM 436 SD MET A 31 -4.271 -4.124 6.899 1.00 0.00 S ATOM 437 CE MET A 31 -2.554 -3.850 6.469 1.00 0.00 C ATOM 0 H MET A 31 -6.981 -1.627 8.802 1.00 0.00 H new ATOM 0 HA MET A 31 -5.469 0.152 7.288 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.688 -2.546 6.583 1.00 0.00 H new ATOM 0 HB3 MET A 31 -5.479 -1.734 5.609 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.869 -1.831 7.464 1.00 0.00 H new ATOM 0 HG3 MET A 31 -5.080 -2.547 8.510 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.251 -4.566 5.705 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.432 -2.837 6.085 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.932 -3.980 7.355 1.00 0.00 H new ATOM 447 N GLU A 32 -8.430 -0.496 5.946 1.00 0.00 N ATOM 448 CA GLU A 32 -9.424 0.013 5.007 1.00 0.00 C ATOM 449 C GLU A 32 -9.681 1.499 5.240 1.00 0.00 C ATOM 450 O GLU A 32 -9.454 2.324 4.356 1.00 0.00 O ATOM 451 CB GLU A 32 -10.732 -0.770 5.141 1.00 0.00 C ATOM 452 CG GLU A 32 -10.655 -2.182 4.585 1.00 0.00 C ATOM 453 CD GLU A 32 -10.063 -3.167 5.575 1.00 0.00 C ATOM 454 OE1 GLU A 32 -10.774 -3.554 6.526 1.00 0.00 O ATOM 455 OE2 GLU A 32 -8.888 -3.550 5.398 1.00 0.00 O ATOM 0 H GLU A 32 -8.699 -1.358 6.420 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.034 -0.116 3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.011 -0.818 6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.525 -0.228 4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.655 -2.512 4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.052 -2.179 3.677 1.00 0.00 H new ATOM 462 N GLU A 33 -10.158 1.830 6.436 1.00 0.00 N ATOM 463 CA GLU A 33 -10.447 3.216 6.785 1.00 0.00 C ATOM 464 C GLU A 33 -9.268 4.122 6.440 1.00 0.00 C ATOM 465 O GLU A 33 -9.446 5.202 5.878 1.00 0.00 O ATOM 466 CB GLU A 33 -10.776 3.333 8.274 1.00 0.00 C ATOM 467 CG GLU A 33 -12.108 2.708 8.654 1.00 0.00 C ATOM 468 CD GLU A 33 -13.290 3.582 8.283 1.00 0.00 C ATOM 469 OE1 GLU A 33 -13.213 4.276 7.248 1.00 0.00 O ATOM 470 OE2 GLU A 33 -14.292 3.572 9.028 1.00 0.00 O ATOM 0 H GLU A 33 -10.352 1.158 7.179 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.311 3.537 6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.983 2.857 8.851 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.786 4.386 8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.206 1.742 8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.123 2.519 9.727 1.00 0.00 H new ATOM 477 N MET A 34 -8.065 3.673 6.783 1.00 0.00 N ATOM 478 CA MET A 34 -6.857 4.442 6.510 1.00 0.00 C ATOM 479 C MET A 34 -6.730 4.745 5.020 1.00 0.00 C ATOM 480 O MET A 34 -6.649 5.906 4.617 1.00 0.00 O ATOM 481 CB MET A 34 -5.622 3.680 6.994 1.00 0.00 C ATOM 482 CG MET A 34 -4.337 4.488 6.909 1.00 0.00 C ATOM 483 SD MET A 34 -4.077 5.534 8.354 1.00 0.00 S ATOM 484 CE MET A 34 -3.159 4.422 9.416 1.00 0.00 C ATOM 0 H MET A 34 -7.901 2.781 7.250 1.00 0.00 H new ATOM 0 HA MET A 34 -6.928 5.386 7.050 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.779 3.370 8.027 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.510 2.772 6.402 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.492 3.808 6.801 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.362 5.111 6.015 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.923 4.926 10.353 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.760 3.536 9.622 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.234 4.126 8.920 1.00 0.00 H new ATOM 494 N THR A 35 -6.714 3.694 4.206 1.00 0.00 N ATOM 495 CA THR A 35 -6.596 3.848 2.762 1.00 0.00 C ATOM 496 C THR A 35 -7.451 5.006 2.260 1.00 0.00 C ATOM 497 O THR A 35 -7.022 5.782 1.407 1.00 0.00 O ATOM 498 CB THR A 35 -7.010 2.561 2.023 1.00 0.00 C ATOM 499 OG1 THR A 35 -6.320 1.435 2.577 1.00 0.00 O ATOM 500 CG2 THR A 35 -6.706 2.669 0.537 1.00 0.00 C ATOM 0 H THR A 35 -6.781 2.727 4.523 1.00 0.00 H new ATOM 0 HA THR A 35 -5.547 4.057 2.552 1.00 0.00 H new ATOM 0 HB THR A 35 -8.084 2.425 2.148 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.636 0.613 2.146 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.007 1.749 0.036 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.256 3.509 0.113 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.637 2.827 0.395 1.00 0.00 H new ATOM 508 N GLU A 36 -8.662 5.117 2.797 1.00 0.00 N ATOM 509 CA GLU A 36 -9.578 6.181 2.403 1.00 0.00 C ATOM 510 C GLU A 36 -9.027 7.547 2.801 1.00 0.00 C ATOM 511 O GLU A 36 -8.980 8.470 1.988 1.00 0.00 O ATOM 512 CB GLU A 36 -10.951 5.966 3.042 1.00 0.00 C ATOM 513 CG GLU A 36 -11.767 4.870 2.378 1.00 0.00 C ATOM 514 CD GLU A 36 -13.240 4.943 2.733 1.00 0.00 C ATOM 515 OE1 GLU A 36 -13.552 5.225 3.909 1.00 0.00 O ATOM 516 OE2 GLU A 36 -14.079 4.717 1.836 1.00 0.00 O ATOM 0 H GLU A 36 -9.031 4.483 3.506 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.683 6.152 1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.817 5.720 4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.512 6.900 3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.654 4.943 1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.373 3.898 2.675 1.00 0.00 H new ATOM 523 N MET A 37 -8.612 7.668 4.058 1.00 0.00 N ATOM 524 CA MET A 37 -8.064 8.921 4.564 1.00 0.00 C ATOM 525 C MET A 37 -6.919 9.409 3.683 1.00 0.00 C ATOM 526 O MET A 37 -6.845 10.590 3.344 1.00 0.00 O ATOM 527 CB MET A 37 -7.576 8.744 6.003 1.00 0.00 C ATOM 528 CG MET A 37 -8.696 8.476 6.996 1.00 0.00 C ATOM 529 SD MET A 37 -8.214 8.828 8.698 1.00 0.00 S ATOM 530 CE MET A 37 -7.033 7.515 8.994 1.00 0.00 C ATOM 0 H MET A 37 -8.645 6.914 4.744 1.00 0.00 H new ATOM 0 HA MET A 37 -8.857 9.669 4.546 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.865 7.918 6.038 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.038 9.641 6.308 1.00 0.00 H new ATOM 0 HG2 MET A 37 -9.562 9.084 6.734 1.00 0.00 H new ATOM 0 HG3 MET A 37 -9.004 7.433 6.918 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.591 7.639 9.983 1.00 0.00 H new ATOM 0 HE2 MET A 37 -7.539 6.551 8.941 1.00 0.00 H new ATOM 0 HE3 MET A 37 -6.248 7.554 8.239 1.00 0.00 H new ATOM 540 N GLN A 38 -6.028 8.493 3.316 1.00 0.00 N ATOM 541 CA GLN A 38 -4.887 8.832 2.475 1.00 0.00 C ATOM 542 C GLN A 38 -5.344 9.278 1.090 1.00 0.00 C ATOM 543 O GLN A 38 -4.957 10.344 0.611 1.00 0.00 O ATOM 544 CB GLN A 38 -3.943 7.634 2.352 1.00 0.00 C ATOM 545 CG GLN A 38 -3.409 7.141 3.687 1.00 0.00 C ATOM 546 CD GLN A 38 -3.013 8.275 4.612 1.00 0.00 C ATOM 547 OE1 GLN A 38 -2.451 9.280 4.175 1.00 0.00 O ATOM 548 NE2 GLN A 38 -3.304 8.119 5.898 1.00 0.00 N ATOM 0 H GLN A 38 -6.075 7.511 3.588 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.355 9.659 2.945 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.468 6.818 1.856 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.103 7.908 1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.168 6.528 4.174 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.545 6.500 3.514 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.770 7.269 6.216 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.061 8.849 6.568 1.00 0.00 H new ATOM 557 N GLY A 39 -6.170 8.455 0.451 1.00 0.00 N ATOM 558 CA GLY A 39 -6.666 8.783 -0.873 1.00 0.00 C ATOM 559 C GLY A 39 -6.746 7.570 -1.779 1.00 0.00 C ATOM 560 O GLY A 39 -6.364 7.632 -2.947 1.00 0.00 O ATOM 0 H GLY A 39 -6.504 7.567 0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.655 9.233 -0.786 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.014 9.530 -1.327 1.00 0.00 H new ATOM 564 N GLY A 40 -7.242 6.461 -1.238 1.00 0.00 N ATOM 565 CA GLY A 40 -7.359 5.244 -2.019 1.00 0.00 C ATOM 566 C GLY A 40 -8.601 4.448 -1.669 1.00 0.00 C ATOM 567 O GLY A 40 -9.474 4.931 -0.949 1.00 0.00 O ATOM 0 H GLY A 40 -7.565 6.384 -0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.380 5.497 -3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.477 4.625 -1.856 1.00 0.00 H new ATOM 571 N SER A 41 -8.681 3.223 -2.180 1.00 0.00 N ATOM 572 CA SER A 41 -9.828 2.361 -1.922 1.00 0.00 C ATOM 573 C SER A 41 -9.375 0.982 -1.451 1.00 0.00 C ATOM 574 O SER A 41 -8.179 0.716 -1.331 1.00 0.00 O ATOM 575 CB SER A 41 -10.685 2.225 -3.181 1.00 0.00 C ATOM 576 OG SER A 41 -12.040 1.971 -2.851 1.00 0.00 O ATOM 0 H SER A 41 -7.965 2.806 -2.775 1.00 0.00 H new ATOM 0 HA SER A 41 -10.425 2.819 -1.133 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.616 3.138 -3.772 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.300 1.415 -3.801 1.00 0.00 H new ATOM 0 HG SER A 41 -12.567 1.890 -3.673 1.00 0.00 H new ATOM 582 N TYR A 42 -10.340 0.109 -1.184 1.00 0.00 N ATOM 583 CA TYR A 42 -10.042 -1.242 -0.724 1.00 0.00 C ATOM 584 C TYR A 42 -11.110 -2.226 -1.192 1.00 0.00 C ATOM 585 O TYR A 42 -12.306 -2.001 -0.998 1.00 0.00 O ATOM 586 CB TYR A 42 -9.939 -1.272 0.802 1.00 0.00 C ATOM 587 CG TYR A 42 -11.156 -0.711 1.502 1.00 0.00 C ATOM 588 CD1 TYR A 42 -12.295 -1.484 1.685 1.00 0.00 C ATOM 589 CD2 TYR A 42 -11.165 0.593 1.982 1.00 0.00 C ATOM 590 CE1 TYR A 42 -13.409 -0.974 2.323 1.00 0.00 C ATOM 591 CE2 TYR A 42 -12.274 1.111 2.623 1.00 0.00 C ATOM 592 CZ TYR A 42 -13.394 0.323 2.791 1.00 0.00 C ATOM 593 OH TYR A 42 -14.501 0.834 3.429 1.00 0.00 O ATOM 0 H TYR A 42 -11.335 0.313 -1.278 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.086 -1.541 -1.153 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.785 -2.301 1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -9.060 -0.706 1.110 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.310 -2.501 1.322 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.290 1.212 1.852 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -14.288 -1.588 2.455 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.264 2.127 2.990 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.326 1.760 3.697 1.00 0.00 H new ATOM 603 N LEU A 43 -10.671 -3.317 -1.809 1.00 0.00 N ATOM 604 CA LEU A 43 -11.588 -4.337 -2.305 1.00 0.00 C ATOM 605 C LEU A 43 -11.353 -5.670 -1.601 1.00 0.00 C ATOM 606 O LEU A 43 -10.290 -5.920 -1.032 1.00 0.00 O ATOM 607 CB LEU A 43 -11.421 -4.509 -3.816 1.00 0.00 C ATOM 608 CG LEU A 43 -12.246 -3.567 -4.694 1.00 0.00 C ATOM 609 CD1 LEU A 43 -11.564 -3.354 -6.036 1.00 0.00 C ATOM 610 CD2 LEU A 43 -13.652 -4.114 -4.889 1.00 0.00 C ATOM 0 H LEU A 43 -9.685 -3.518 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.606 -4.010 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.368 -4.374 -4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.680 -5.535 -4.076 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.320 -2.603 -4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.166 -2.681 -6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.578 -2.917 -5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.459 -4.311 -6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.225 -3.431 -5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.599 -5.090 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.141 -4.213 -3.920 1.00 0.00 H new ATOM 622 N PRO A 44 -12.366 -6.547 -1.642 1.00 0.00 N ATOM 623 CA PRO A 44 -12.293 -7.871 -1.015 1.00 0.00 C ATOM 624 C PRO A 44 -11.328 -8.803 -1.740 1.00 0.00 C ATOM 625 O PRO A 44 -11.430 -8.998 -2.951 1.00 0.00 O ATOM 626 CB PRO A 44 -13.726 -8.395 -1.125 1.00 0.00 C ATOM 627 CG PRO A 44 -14.305 -7.675 -2.293 1.00 0.00 C ATOM 628 CD PRO A 44 -13.662 -6.316 -2.302 1.00 0.00 C ATOM 0 HA PRO A 44 -11.922 -7.817 0.008 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.742 -9.474 -1.278 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.292 -8.193 -0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.101 -8.209 -3.221 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.388 -7.594 -2.203 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.535 -5.939 -3.317 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.263 -5.584 -1.763 1.00 0.00 H new ATOM 636 N VAL A 45 -10.391 -9.376 -0.991 1.00 0.00 N ATOM 637 CA VAL A 45 -9.408 -10.289 -1.563 1.00 0.00 C ATOM 638 C VAL A 45 -10.040 -11.182 -2.625 1.00 0.00 C ATOM 639 O VAL A 45 -11.199 -11.578 -2.509 1.00 0.00 O ATOM 640 CB VAL A 45 -8.768 -11.176 -0.478 1.00 0.00 C ATOM 641 CG1 VAL A 45 -7.805 -12.173 -1.103 1.00 0.00 C ATOM 642 CG2 VAL A 45 -8.061 -10.318 0.561 1.00 0.00 C ATOM 0 H VAL A 45 -10.292 -9.224 0.013 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.634 -9.674 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.558 -11.736 0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.363 -12.791 -0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.344 -12.808 -1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.017 -11.636 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.614 -10.960 1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.280 -9.731 0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.781 -9.648 1.031 1.00 0.00 H new ATOM 652 N GLY A 46 -9.269 -11.495 -3.662 1.00 0.00 N ATOM 653 CA GLY A 46 -9.770 -12.339 -4.731 1.00 0.00 C ATOM 654 C GLY A 46 -10.121 -11.550 -5.977 1.00 0.00 C ATOM 655 O GLY A 46 -9.714 -11.908 -7.082 1.00 0.00 O ATOM 0 H GLY A 46 -8.306 -11.179 -3.781 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.019 -13.089 -4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.653 -12.875 -4.383 1.00 0.00 H new ATOM 659 N ASP A 47 -10.880 -10.475 -5.799 1.00 0.00 N ATOM 660 CA ASP A 47 -11.287 -9.633 -6.918 1.00 0.00 C ATOM 661 C ASP A 47 -10.079 -9.212 -7.749 1.00 0.00 C ATOM 662 O ASP A 47 -8.959 -9.145 -7.243 1.00 0.00 O ATOM 663 CB ASP A 47 -12.028 -8.395 -6.410 1.00 0.00 C ATOM 664 CG ASP A 47 -12.860 -7.734 -7.492 1.00 0.00 C ATOM 665 OD1 ASP A 47 -13.200 -8.417 -8.480 1.00 0.00 O ATOM 666 OD2 ASP A 47 -13.172 -6.533 -7.349 1.00 0.00 O ATOM 0 H ASP A 47 -11.226 -10.166 -4.891 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.957 -10.214 -7.552 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.675 -8.678 -5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.306 -7.677 -6.021 1.00 0.00 H new ATOM 671 N GLU A 48 -10.315 -8.931 -9.027 1.00 0.00 N ATOM 672 CA GLU A 48 -9.245 -8.519 -9.928 1.00 0.00 C ATOM 673 C GLU A 48 -9.132 -6.998 -9.979 1.00 0.00 C ATOM 674 O GLU A 48 -8.052 -6.452 -10.203 1.00 0.00 O ATOM 675 CB GLU A 48 -9.491 -9.070 -11.334 1.00 0.00 C ATOM 676 CG GLU A 48 -10.847 -8.695 -11.906 1.00 0.00 C ATOM 677 CD GLU A 48 -11.934 -9.681 -11.526 1.00 0.00 C ATOM 678 OE1 GLU A 48 -11.635 -10.891 -11.446 1.00 0.00 O ATOM 679 OE2 GLU A 48 -13.084 -9.244 -11.310 1.00 0.00 O ATOM 0 H GLU A 48 -11.237 -8.981 -9.461 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.308 -8.923 -9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.711 -8.703 -12.001 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.404 -10.156 -11.310 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.124 -7.701 -11.553 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.776 -8.639 -12.992 1.00 0.00 H new ATOM 686 N ARG A 49 -10.256 -6.320 -9.770 1.00 0.00 N ATOM 687 CA ARG A 49 -10.284 -4.862 -9.794 1.00 0.00 C ATOM 688 C ARG A 49 -9.149 -4.283 -8.955 1.00 0.00 C ATOM 689 O ARG A 49 -8.618 -3.216 -9.265 1.00 0.00 O ATOM 690 CB ARG A 49 -11.629 -4.349 -9.276 1.00 0.00 C ATOM 691 CG ARG A 49 -12.796 -4.660 -10.199 1.00 0.00 C ATOM 692 CD ARG A 49 -13.930 -3.663 -10.020 1.00 0.00 C ATOM 693 NE ARG A 49 -13.529 -2.307 -10.385 1.00 0.00 N ATOM 694 CZ ARG A 49 -14.323 -1.249 -10.269 1.00 0.00 C ATOM 695 NH1 ARG A 49 -15.555 -1.389 -9.799 1.00 0.00 N ATOM 696 NH2 ARG A 49 -13.886 -0.047 -10.623 1.00 0.00 N ATOM 0 H ARG A 49 -11.159 -6.756 -9.582 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.152 -4.537 -10.826 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.823 -4.788 -8.298 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.567 -3.270 -9.134 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.456 -4.644 -11.235 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.161 -5.667 -9.999 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.780 -3.967 -10.631 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.263 -3.676 -8.982 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.587 -2.165 -10.749 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.895 -2.311 -9.526 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.163 -0.575 -9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.939 0.065 -10.985 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.497 0.765 -10.533 1.00 0.00 H new ATOM 710 N CYS A 50 -8.784 -4.992 -7.893 1.00 0.00 N ATOM 711 CA CYS A 50 -7.713 -4.547 -7.008 1.00 0.00 C ATOM 712 C CYS A 50 -6.395 -4.427 -7.767 1.00 0.00 C ATOM 713 O CYS A 50 -5.961 -5.369 -8.432 1.00 0.00 O ATOM 714 CB CYS A 50 -7.555 -5.518 -5.837 1.00 0.00 C ATOM 715 SG CYS A 50 -7.096 -7.197 -6.327 1.00 0.00 S ATOM 0 H CYS A 50 -9.213 -5.877 -7.624 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.979 -3.563 -6.621 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.797 -5.130 -5.157 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -8.492 -5.556 -5.282 1.00 0.00 H new ATOM 0 HG CYS A 50 -8.170 -7.886 -6.573 1.00 0.00 H new ATOM 721 N THR A 51 -5.763 -3.262 -7.665 1.00 0.00 N ATOM 722 CA THR A 51 -4.497 -3.018 -8.343 1.00 0.00 C ATOM 723 C THR A 51 -3.330 -3.605 -7.557 1.00 0.00 C ATOM 724 O THR A 51 -2.448 -4.218 -8.157 1.00 0.00 O ATOM 725 CB THR A 51 -4.254 -1.512 -8.554 1.00 0.00 C ATOM 726 OG1 THR A 51 -4.278 -0.831 -7.294 1.00 0.00 O ATOM 727 CG2 THR A 51 -5.306 -0.918 -9.478 1.00 0.00 C ATOM 0 H THR A 51 -6.108 -2.473 -7.119 1.00 0.00 H new ATOM 0 HA THR A 51 -4.559 -3.508 -9.315 1.00 0.00 H new ATOM 0 HB THR A 51 -3.275 -1.385 -9.016 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.363 -0.731 -6.958 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.113 0.146 -9.612 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.265 -1.419 -10.445 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.295 -1.056 -9.040 1.00 0.00 H new ATOM 735 N HIS A 52 -3.348 -3.407 -6.247 1.00 0.00 N ATOM 736 CA HIS A 52 -2.288 -3.922 -5.398 1.00 0.00 C ATOM 737 C HIS A 52 -2.871 -4.922 -4.398 1.00 0.00 C ATOM 738 O HIS A 52 -4.077 -4.972 -4.151 1.00 0.00 O ATOM 739 CB HIS A 52 -1.531 -2.778 -4.720 1.00 0.00 C ATOM 740 CG HIS A 52 -0.992 -1.744 -5.679 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.757 -1.188 -6.690 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.243 -1.172 -5.772 1.00 0.00 C ATOM 743 CE1 HIS A 52 -1.006 -0.322 -7.354 1.00 0.00 C ATOM 744 NE2 HIS A 52 0.233 -0.313 -6.784 1.00 0.00 N ATOM 0 H HIS A 52 -4.080 -2.897 -5.753 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.557 -4.454 -6.006 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.196 -2.287 -4.009 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.702 -3.194 -4.147 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.086 -1.382 -5.131 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.320 0.273 -8.199 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.022 0.259 -7.086 1.00 0.00 H new ATOM 752 N LEU A 53 -1.982 -5.724 -3.823 1.00 0.00 N ATOM 753 CA LEU A 53 -2.380 -6.732 -2.846 1.00 0.00 C ATOM 754 C LEU A 53 -1.374 -6.809 -1.702 1.00 0.00 C ATOM 755 O LEU A 53 -0.190 -7.068 -1.919 1.00 0.00 O ATOM 756 CB LEU A 53 -2.508 -8.100 -3.519 1.00 0.00 C ATOM 757 CG LEU A 53 -2.552 -9.308 -2.582 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.738 -9.207 -1.636 1.00 0.00 C ATOM 759 CD2 LEU A 53 -2.614 -10.601 -3.382 1.00 0.00 C ATOM 0 H LEU A 53 -0.981 -5.696 -4.016 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.348 -6.443 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.415 -8.102 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.668 -8.226 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.639 -9.316 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.753 -10.075 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.651 -8.299 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.662 -9.174 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.645 -11.450 -2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.510 -10.602 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.732 -10.678 -4.018 1.00 0.00 H new ATOM 771 N ILE A 54 -1.854 -6.583 -0.483 1.00 0.00 N ATOM 772 CA ILE A 54 -0.997 -6.630 0.695 1.00 0.00 C ATOM 773 C ILE A 54 -1.276 -7.876 1.528 1.00 0.00 C ATOM 774 O ILE A 54 -2.352 -8.020 2.109 1.00 0.00 O ATOM 775 CB ILE A 54 -1.186 -5.382 1.578 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.704 -4.131 0.842 1.00 0.00 C ATOM 777 CG2 ILE A 54 -0.442 -5.548 2.895 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.752 -3.520 -0.061 1.00 0.00 C ATOM 0 H ILE A 54 -2.831 -6.366 -0.286 1.00 0.00 H new ATOM 0 HA ILE A 54 0.032 -6.659 0.336 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.248 -5.266 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.389 -3.388 1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.173 -4.385 0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.585 -4.658 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.828 -6.419 3.424 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.621 -5.686 2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.341 -2.637 -0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.051 -4.247 -0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.621 -3.235 0.532 1.00 0.00 H new ATOM 790 N VAL A 55 -0.299 -8.775 1.584 1.00 0.00 N ATOM 791 CA VAL A 55 -0.437 -10.008 2.349 1.00 0.00 C ATOM 792 C VAL A 55 0.589 -10.075 3.475 1.00 0.00 C ATOM 793 O VAL A 55 1.758 -9.745 3.282 1.00 0.00 O ATOM 794 CB VAL A 55 -0.277 -11.248 1.449 1.00 0.00 C ATOM 795 CG1 VAL A 55 1.026 -11.176 0.669 1.00 0.00 C ATOM 796 CG2 VAL A 55 -0.341 -12.521 2.280 1.00 0.00 C ATOM 0 H VAL A 55 0.597 -8.672 1.108 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.440 -10.005 2.776 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.100 -11.266 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.122 -12.060 0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.027 -10.283 0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.864 -11.133 1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.226 -13.387 1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.461 -12.514 3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.303 -12.575 2.789 1.00 0.00 H new ATOM 806 N GLU A 56 0.142 -10.505 4.651 1.00 0.00 N ATOM 807 CA GLU A 56 1.022 -10.614 5.808 1.00 0.00 C ATOM 808 C GLU A 56 1.991 -11.782 5.647 1.00 0.00 C ATOM 809 O GLU A 56 1.841 -12.819 6.293 1.00 0.00 O ATOM 810 CB GLU A 56 0.201 -10.792 7.087 1.00 0.00 C ATOM 811 CG GLU A 56 0.998 -10.561 8.360 1.00 0.00 C ATOM 812 CD GLU A 56 0.112 -10.326 9.568 1.00 0.00 C ATOM 813 OE1 GLU A 56 -0.977 -10.934 9.633 1.00 0.00 O ATOM 814 OE2 GLU A 56 0.510 -9.535 10.449 1.00 0.00 O ATOM 0 H GLU A 56 -0.823 -10.783 4.827 1.00 0.00 H new ATOM 0 HA GLU A 56 1.599 -9.692 5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.642 -10.102 7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.213 -11.800 7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.638 -11.424 8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.654 -9.702 8.223 1.00 0.00 H new ATOM 821 N GLU A 57 2.982 -11.606 4.779 1.00 0.00 N ATOM 822 CA GLU A 57 3.974 -12.646 4.532 1.00 0.00 C ATOM 823 C GLU A 57 4.415 -13.300 5.838 1.00 0.00 C ATOM 824 O GLU A 57 4.767 -14.478 5.867 1.00 0.00 O ATOM 825 CB GLU A 57 5.188 -12.061 3.806 1.00 0.00 C ATOM 826 CG GLU A 57 5.885 -10.954 4.580 1.00 0.00 C ATOM 827 CD GLU A 57 6.936 -11.483 5.536 1.00 0.00 C ATOM 828 OE1 GLU A 57 7.525 -12.545 5.244 1.00 0.00 O ATOM 829 OE2 GLU A 57 7.169 -10.835 6.578 1.00 0.00 O ATOM 0 H GLU A 57 3.119 -10.754 4.235 1.00 0.00 H new ATOM 0 HA GLU A 57 3.515 -13.408 3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.902 -12.860 3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.870 -11.672 2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.353 -10.264 3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.143 -10.385 5.140 1.00 0.00 H new ATOM 836 N ASN A 58 4.392 -12.525 6.918 1.00 0.00 N ATOM 837 CA ASN A 58 4.790 -13.027 8.228 1.00 0.00 C ATOM 838 C ASN A 58 4.108 -14.359 8.530 1.00 0.00 C ATOM 839 O ASN A 58 4.772 -15.370 8.763 1.00 0.00 O ATOM 840 CB ASN A 58 4.445 -12.007 9.315 1.00 0.00 C ATOM 841 CG ASN A 58 5.559 -11.003 9.540 1.00 0.00 C ATOM 842 OD1 ASN A 58 6.590 -11.325 10.132 1.00 0.00 O ATOM 843 ND2 ASN A 58 5.356 -9.779 9.067 1.00 0.00 N ATOM 0 H ASN A 58 4.102 -11.547 6.911 1.00 0.00 H new ATOM 0 HA ASN A 58 5.868 -13.185 8.217 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.533 -11.478 9.037 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.238 -12.531 10.248 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.070 -9.061 9.188 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.486 -9.557 8.583 1.00 0.00 H new ATOM 850 N THR A 59 2.779 -14.352 8.523 1.00 0.00 N ATOM 851 CA THR A 59 2.007 -15.558 8.796 1.00 0.00 C ATOM 852 C THR A 59 1.588 -16.247 7.502 1.00 0.00 C ATOM 853 O THR A 59 1.610 -17.474 7.406 1.00 0.00 O ATOM 854 CB THR A 59 0.749 -15.243 9.627 1.00 0.00 C ATOM 855 OG1 THR A 59 0.043 -16.453 9.924 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.167 -14.285 8.881 1.00 0.00 C ATOM 0 H THR A 59 2.215 -13.524 8.331 1.00 0.00 H new ATOM 0 HA THR A 59 2.653 -16.225 9.367 1.00 0.00 H new ATOM 0 HB THR A 59 1.064 -14.769 10.557 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.755 -16.245 10.454 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.048 -14.078 9.488 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.364 -13.354 8.682 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.474 -14.736 7.937 1.00 0.00 H new ATOM 864 N VAL A 60 1.207 -15.450 6.509 1.00 0.00 N ATOM 865 CA VAL A 60 0.784 -15.984 5.220 1.00 0.00 C ATOM 866 C VAL A 60 1.984 -16.415 4.383 1.00 0.00 C ATOM 867 O VAL A 60 2.858 -15.607 4.069 1.00 0.00 O ATOM 868 CB VAL A 60 -0.036 -14.950 4.426 1.00 0.00 C ATOM 869 CG1 VAL A 60 -0.479 -15.531 3.092 1.00 0.00 C ATOM 870 CG2 VAL A 60 -1.235 -14.484 5.239 1.00 0.00 C ATOM 0 H VAL A 60 1.183 -14.432 6.572 1.00 0.00 H new ATOM 0 HA VAL A 60 0.158 -16.852 5.427 1.00 0.00 H new ATOM 0 HB VAL A 60 0.597 -14.085 4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.057 -14.786 2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.398 -15.811 2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.096 -16.413 3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.803 -13.754 4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.871 -15.338 5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.890 -14.026 6.166 1.00 0.00 H new ATOM 880 N LYS A 61 2.019 -17.694 4.025 1.00 0.00 N ATOM 881 CA LYS A 61 3.111 -18.234 3.223 1.00 0.00 C ATOM 882 C LYS A 61 2.720 -18.304 1.750 1.00 0.00 C ATOM 883 O LYS A 61 3.462 -17.849 0.879 1.00 0.00 O ATOM 884 CB LYS A 61 3.499 -19.627 3.725 1.00 0.00 C ATOM 885 CG LYS A 61 4.155 -19.618 5.095 1.00 0.00 C ATOM 886 CD LYS A 61 5.626 -19.248 5.007 1.00 0.00 C ATOM 887 CE LYS A 61 6.227 -19.023 6.386 1.00 0.00 C ATOM 888 NZ LYS A 61 7.540 -18.323 6.310 1.00 0.00 N ATOM 0 H LYS A 61 1.304 -18.376 4.277 1.00 0.00 H new ATOM 0 HA LYS A 61 3.967 -17.567 3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.607 -20.252 3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.180 -20.086 3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.639 -18.909 5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.053 -20.601 5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.172 -20.041 4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.740 -18.345 4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.537 -18.436 6.992 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.355 -19.982 6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.917 -18.188 7.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.207 -18.895 5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.414 -17.397 5.854 1.00 0.00 H new ATOM 902 N ASP A 62 1.552 -18.875 1.479 1.00 0.00 N ATOM 903 CA ASP A 62 1.062 -19.002 0.111 1.00 0.00 C ATOM 904 C ASP A 62 -0.350 -18.440 -0.015 1.00 0.00 C ATOM 905 O ASP A 62 -1.236 -18.776 0.773 1.00 0.00 O ATOM 906 CB ASP A 62 1.082 -20.467 -0.327 1.00 0.00 C ATOM 907 CG ASP A 62 0.709 -21.413 0.798 1.00 0.00 C ATOM 908 OD1 ASP A 62 1.488 -21.516 1.769 1.00 0.00 O ATOM 909 OD2 ASP A 62 -0.361 -22.049 0.707 1.00 0.00 O ATOM 0 H ASP A 62 0.927 -19.257 2.188 1.00 0.00 H new ATOM 0 HA ASP A 62 1.722 -18.428 -0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.390 -20.604 -1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.076 -20.719 -0.695 1.00 0.00 H new ATOM 914 N LEU A 63 -0.554 -17.582 -1.009 1.00 0.00 N ATOM 915 CA LEU A 63 -1.860 -16.972 -1.237 1.00 0.00 C ATOM 916 C LEU A 63 -2.907 -18.033 -1.561 1.00 0.00 C ATOM 917 O LEU A 63 -2.627 -19.038 -2.215 1.00 0.00 O ATOM 918 CB LEU A 63 -1.777 -15.956 -2.377 1.00 0.00 C ATOM 919 CG LEU A 63 -0.927 -14.714 -2.109 1.00 0.00 C ATOM 920 CD1 LEU A 63 -0.476 -14.082 -3.417 1.00 0.00 C ATOM 921 CD2 LEU A 63 -1.702 -13.709 -1.268 1.00 0.00 C ATOM 0 H LEU A 63 0.168 -17.293 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.160 -16.460 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.380 -16.460 -3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.788 -15.633 -2.623 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.041 -15.018 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.128 -13.199 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.117 -14.800 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.349 -13.793 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.082 -12.831 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.606 -13.411 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.974 -14.164 -0.316 1.00 0.00 H new ATOM 933 N PRO A 64 -4.144 -17.805 -1.095 1.00 0.00 N ATOM 934 CA PRO A 64 -5.259 -18.728 -1.325 1.00 0.00 C ATOM 935 C PRO A 64 -5.706 -18.745 -2.783 1.00 0.00 C ATOM 936 O PRO A 64 -6.593 -19.510 -3.162 1.00 0.00 O ATOM 937 CB PRO A 64 -6.371 -18.171 -0.432 1.00 0.00 C ATOM 938 CG PRO A 64 -6.050 -16.723 -0.286 1.00 0.00 C ATOM 939 CD PRO A 64 -4.549 -16.628 -0.308 1.00 0.00 C ATOM 0 HA PRO A 64 -4.988 -19.759 -1.098 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.352 -18.315 -0.885 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.390 -18.672 0.536 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.490 -16.142 -1.097 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.453 -16.326 0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.212 -15.700 -0.770 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.130 -16.654 0.698 1.00 0.00 H new ATOM 947 N PHE A 65 -5.085 -17.899 -3.598 1.00 0.00 N ATOM 948 CA PHE A 65 -5.419 -17.817 -5.015 1.00 0.00 C ATOM 949 C PHE A 65 -4.182 -17.495 -5.848 1.00 0.00 C ATOM 950 O PHE A 65 -3.141 -17.119 -5.310 1.00 0.00 O ATOM 951 CB PHE A 65 -6.494 -16.754 -5.246 1.00 0.00 C ATOM 952 CG PHE A 65 -5.971 -15.347 -5.177 1.00 0.00 C ATOM 953 CD1 PHE A 65 -5.438 -14.850 -3.999 1.00 0.00 C ATOM 954 CD2 PHE A 65 -6.014 -14.523 -6.290 1.00 0.00 C ATOM 955 CE1 PHE A 65 -4.955 -13.556 -3.932 1.00 0.00 C ATOM 956 CE2 PHE A 65 -5.533 -13.229 -6.229 1.00 0.00 C ATOM 957 CZ PHE A 65 -5.004 -12.744 -5.048 1.00 0.00 C ATOM 0 H PHE A 65 -4.347 -17.260 -3.301 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.804 -18.787 -5.329 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.950 -16.916 -6.223 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.281 -16.877 -4.502 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.399 -15.480 -3.123 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.428 -14.896 -7.215 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.540 -13.181 -3.008 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.570 -12.597 -7.104 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.630 -11.732 -4.998 1.00 0.00 H new ATOM 967 N GLU A 66 -4.305 -17.648 -7.162 1.00 0.00 N ATOM 968 CA GLU A 66 -3.196 -17.375 -8.069 1.00 0.00 C ATOM 969 C GLU A 66 -3.411 -16.058 -8.811 1.00 0.00 C ATOM 970 O GLU A 66 -4.093 -15.997 -9.834 1.00 0.00 O ATOM 971 CB GLU A 66 -3.036 -18.518 -9.074 1.00 0.00 C ATOM 972 CG GLU A 66 -2.458 -19.785 -8.467 1.00 0.00 C ATOM 973 CD GLU A 66 -3.526 -20.696 -7.892 1.00 0.00 C ATOM 974 OE1 GLU A 66 -4.184 -20.292 -6.910 1.00 0.00 O ATOM 975 OE2 GLU A 66 -3.703 -21.812 -8.422 1.00 0.00 O ATOM 0 H GLU A 66 -5.160 -17.959 -7.622 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.286 -17.293 -7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.008 -18.745 -9.511 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.390 -18.188 -9.888 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.897 -20.325 -9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.752 -19.518 -7.681 1.00 0.00 H new ATOM 982 N PRO A 67 -2.816 -14.978 -8.282 1.00 0.00 N ATOM 983 CA PRO A 67 -2.927 -13.643 -8.877 1.00 0.00 C ATOM 984 C PRO A 67 -2.174 -13.532 -10.198 1.00 0.00 C ATOM 985 O PRO A 67 -1.325 -14.366 -10.512 1.00 0.00 O ATOM 986 CB PRO A 67 -2.293 -12.732 -7.823 1.00 0.00 C ATOM 987 CG PRO A 67 -1.355 -13.614 -7.073 1.00 0.00 C ATOM 988 CD PRO A 67 -1.988 -14.978 -7.064 1.00 0.00 C ATOM 0 HA PRO A 67 -3.959 -13.388 -9.116 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.766 -11.898 -8.286 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.048 -12.305 -7.163 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.377 -13.641 -7.553 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.202 -13.248 -6.058 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.238 -15.769 -7.088 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.590 -15.136 -6.169 1.00 0.00 H new ATOM 996 N SER A 68 -2.491 -12.497 -10.970 1.00 0.00 N ATOM 997 CA SER A 68 -1.847 -12.280 -12.260 1.00 0.00 C ATOM 998 C SER A 68 -0.813 -11.161 -12.169 1.00 0.00 C ATOM 999 O SER A 68 -0.914 -10.274 -11.321 1.00 0.00 O ATOM 1000 CB SER A 68 -2.892 -11.938 -13.324 1.00 0.00 C ATOM 1001 OG SER A 68 -3.494 -13.112 -13.842 1.00 0.00 O ATOM 0 H SER A 68 -3.190 -11.796 -10.724 1.00 0.00 H new ATOM 0 HA SER A 68 -1.337 -13.201 -12.544 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.657 -11.293 -12.893 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.422 -11.379 -14.133 1.00 0.00 H new ATOM 0 HG SER A 68 -4.159 -12.867 -14.519 1.00 0.00 H new ATOM 1007 N LYS A 69 0.181 -11.211 -13.048 1.00 0.00 N ATOM 1008 CA LYS A 69 1.235 -10.203 -13.070 1.00 0.00 C ATOM 1009 C LYS A 69 0.659 -8.809 -12.841 1.00 0.00 C ATOM 1010 O LYS A 69 1.061 -8.105 -11.915 1.00 0.00 O ATOM 1011 CB LYS A 69 1.980 -10.244 -14.406 1.00 0.00 C ATOM 1012 CG LYS A 69 3.397 -9.701 -14.329 1.00 0.00 C ATOM 1013 CD LYS A 69 3.437 -8.208 -14.608 1.00 0.00 C ATOM 1014 CE LYS A 69 4.781 -7.606 -14.225 1.00 0.00 C ATOM 1015 NZ LYS A 69 5.074 -7.781 -12.775 1.00 0.00 N ATOM 0 H LYS A 69 0.280 -11.939 -13.755 1.00 0.00 H new ATOM 0 HA LYS A 69 1.934 -10.426 -12.264 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.013 -11.274 -14.763 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.419 -9.669 -15.143 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.810 -9.899 -13.340 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.028 -10.224 -15.048 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.245 -8.029 -15.666 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.642 -7.711 -14.051 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.570 -8.074 -14.814 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.787 -6.544 -14.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.759 -7.060 -12.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.195 -7.678 -12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.473 -8.728 -12.613 1.00 0.00 H new ATOM 1029 N LYS A 70 -0.286 -8.417 -13.689 1.00 0.00 N ATOM 1030 CA LYS A 70 -0.920 -7.109 -13.577 1.00 0.00 C ATOM 1031 C LYS A 70 -1.037 -6.684 -12.117 1.00 0.00 C ATOM 1032 O LYS A 70 -0.784 -5.528 -11.774 1.00 0.00 O ATOM 1033 CB LYS A 70 -2.306 -7.134 -14.225 1.00 0.00 C ATOM 1034 CG LYS A 70 -3.299 -8.029 -13.504 1.00 0.00 C ATOM 1035 CD LYS A 70 -4.553 -8.253 -14.332 1.00 0.00 C ATOM 1036 CE LYS A 70 -5.773 -8.466 -13.450 1.00 0.00 C ATOM 1037 NZ LYS A 70 -5.749 -9.798 -12.783 1.00 0.00 N ATOM 0 H LYS A 70 -0.630 -8.987 -14.462 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.295 -6.384 -14.099 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.701 -6.119 -14.257 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.209 -7.471 -15.257 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.832 -8.989 -13.284 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.569 -7.579 -12.549 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.719 -7.394 -14.983 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.414 -9.120 -14.978 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.816 -7.682 -12.694 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.677 -8.378 -14.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.662 -9.968 -12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.580 -10.539 -13.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.988 -9.818 -12.074 1.00 0.00 H new ATOM 1051 N LEU A 71 -1.422 -7.624 -11.261 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.571 -7.348 -9.836 1.00 0.00 C ATOM 1053 C LEU A 71 -0.214 -7.334 -9.139 1.00 0.00 C ATOM 1054 O LEU A 71 0.546 -8.298 -9.219 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.480 -8.392 -9.187 1.00 0.00 C ATOM 1056 CG LEU A 71 -2.736 -8.220 -7.689 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -3.734 -7.099 -7.443 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -3.234 -9.523 -7.080 1.00 0.00 C ATOM 0 H LEU A 71 -1.637 -8.584 -11.529 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.024 -6.363 -9.727 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.440 -8.380 -9.703 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.043 -9.377 -9.350 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.795 -7.953 -7.208 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.904 -6.991 -6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.339 -6.165 -7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.676 -7.336 -7.938 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.411 -9.382 -6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.163 -9.820 -7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.485 -10.302 -7.224 1.00 0.00 H new ATOM 1070 N PHE A 72 0.081 -6.234 -8.454 1.00 0.00 N ATOM 1071 CA PHE A 72 1.346 -6.095 -7.741 1.00 0.00 C ATOM 1072 C PHE A 72 1.198 -6.522 -6.283 1.00 0.00 C ATOM 1073 O PHE A 72 0.543 -5.846 -5.490 1.00 0.00 O ATOM 1074 CB PHE A 72 1.840 -4.649 -7.813 1.00 0.00 C ATOM 1075 CG PHE A 72 2.244 -4.222 -9.195 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.516 -4.493 -9.674 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.353 -3.549 -10.015 1.00 0.00 C ATOM 1078 CE1 PHE A 72 3.891 -4.100 -10.945 1.00 0.00 C ATOM 1079 CE2 PHE A 72 1.722 -3.154 -11.287 1.00 0.00 C ATOM 1080 CZ PHE A 72 2.992 -3.431 -11.753 1.00 0.00 C ATOM 0 H PHE A 72 -0.538 -5.427 -8.377 1.00 0.00 H new ATOM 0 HA PHE A 72 2.078 -6.746 -8.220 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.053 -3.986 -7.452 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.690 -4.530 -7.141 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.222 -5.017 -9.047 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.358 -3.330 -9.656 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.886 -4.316 -11.306 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.018 -2.629 -11.916 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.282 -3.125 -12.747 1.00 0.00 H new ATOM 1090 N VAL A 73 1.812 -7.649 -5.938 1.00 0.00 N ATOM 1091 CA VAL A 73 1.751 -8.167 -4.576 1.00 0.00 C ATOM 1092 C VAL A 73 2.959 -7.719 -3.762 1.00 0.00 C ATOM 1093 O VAL A 73 4.100 -8.040 -4.097 1.00 0.00 O ATOM 1094 CB VAL A 73 1.679 -9.706 -4.564 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.337 -10.214 -3.172 1.00 0.00 C ATOM 1096 CG2 VAL A 73 0.665 -10.200 -5.585 1.00 0.00 C ATOM 0 H VAL A 73 2.357 -8.221 -6.583 1.00 0.00 H new ATOM 0 HA VAL A 73 0.844 -7.764 -4.125 1.00 0.00 H new ATOM 0 HB VAL A 73 2.658 -10.100 -4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.291 -11.303 -3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.104 -9.891 -2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.371 -9.813 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.627 -11.289 -5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.319 -9.798 -5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.959 -9.867 -6.580 1.00 0.00 H new ATOM 1106 N VAL A 74 2.702 -6.976 -2.691 1.00 0.00 N ATOM 1107 CA VAL A 74 3.768 -6.484 -1.827 1.00 0.00 C ATOM 1108 C VAL A 74 3.552 -6.921 -0.383 1.00 0.00 C ATOM 1109 O VAL A 74 2.563 -7.583 -0.064 1.00 0.00 O ATOM 1110 CB VAL A 74 3.868 -4.948 -1.877 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.428 -4.493 -3.216 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.509 -4.317 -1.616 1.00 0.00 C ATOM 0 H VAL A 74 1.764 -6.701 -2.401 1.00 0.00 H new ATOM 0 HA VAL A 74 4.698 -6.914 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 74 4.552 -4.620 -1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.491 -3.405 -3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.422 -4.917 -3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.772 -4.831 -4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.598 -3.231 -1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.801 -4.650 -2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.152 -4.616 -0.631 1.00 0.00 H new ATOM 1122 N LYS A 75 4.482 -6.548 0.489 1.00 0.00 N ATOM 1123 CA LYS A 75 4.394 -6.899 1.901 1.00 0.00 C ATOM 1124 C LYS A 75 3.604 -5.848 2.675 1.00 0.00 C ATOM 1125 O LYS A 75 3.174 -4.842 2.110 1.00 0.00 O ATOM 1126 CB LYS A 75 5.794 -7.044 2.501 1.00 0.00 C ATOM 1127 CG LYS A 75 6.652 -8.082 1.799 1.00 0.00 C ATOM 1128 CD LYS A 75 8.131 -7.858 2.067 1.00 0.00 C ATOM 1129 CE LYS A 75 8.988 -8.357 0.914 1.00 0.00 C ATOM 1130 NZ LYS A 75 10.418 -8.498 1.307 1.00 0.00 N ATOM 0 H LYS A 75 5.307 -6.001 0.242 1.00 0.00 H new ATOM 0 HA LYS A 75 3.872 -7.852 1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.299 -6.079 2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.703 -7.312 3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.367 -9.079 2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.466 -8.043 0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.316 -6.796 2.226 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.418 -8.373 2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.609 -9.319 0.570 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.908 -7.665 0.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.969 -8.840 0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.787 -7.575 1.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.497 -9.178 2.090 1.00 0.00 H new ATOM 1144 N GLN A 76 3.419 -6.087 3.969 1.00 0.00 N ATOM 1145 CA GLN A 76 2.681 -5.160 4.819 1.00 0.00 C ATOM 1146 C GLN A 76 3.463 -3.866 5.019 1.00 0.00 C ATOM 1147 O GLN A 76 2.880 -2.787 5.114 1.00 0.00 O ATOM 1148 CB GLN A 76 2.383 -5.804 6.174 1.00 0.00 C ATOM 1149 CG GLN A 76 3.630 -6.139 6.976 1.00 0.00 C ATOM 1150 CD GLN A 76 4.315 -7.401 6.491 1.00 0.00 C ATOM 1151 OE1 GLN A 76 5.346 -7.342 5.819 1.00 0.00 O ATOM 1152 NE2 GLN A 76 3.745 -8.552 6.828 1.00 0.00 N ATOM 0 H GLN A 76 3.770 -6.914 4.452 1.00 0.00 H new ATOM 0 HA GLN A 76 1.740 -4.922 4.323 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.756 -5.130 6.757 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.808 -6.716 6.015 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.330 -5.305 6.918 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.361 -6.257 8.026 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.891 -8.554 7.386 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.161 -9.434 6.529 1.00 0.00 H new ATOM 1161 N GLU A 77 4.786 -3.983 5.083 1.00 0.00 N ATOM 1162 CA GLU A 77 5.647 -2.822 5.273 1.00 0.00 C ATOM 1163 C GLU A 77 5.348 -1.747 4.232 1.00 0.00 C ATOM 1164 O GLU A 77 5.391 -0.553 4.528 1.00 0.00 O ATOM 1165 CB GLU A 77 7.119 -3.231 5.191 1.00 0.00 C ATOM 1166 CG GLU A 77 8.079 -2.148 5.654 1.00 0.00 C ATOM 1167 CD GLU A 77 8.315 -2.180 7.152 1.00 0.00 C ATOM 1168 OE1 GLU A 77 8.199 -3.270 7.749 1.00 0.00 O ATOM 1169 OE2 GLU A 77 8.617 -1.113 7.726 1.00 0.00 O ATOM 0 H GLU A 77 5.284 -4.870 5.006 1.00 0.00 H new ATOM 0 HA GLU A 77 5.446 -2.412 6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.273 -4.124 5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.356 -3.499 4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.031 -2.267 5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.683 -1.172 5.373 1.00 0.00 H new ATOM 1176 N TRP A 78 5.046 -2.180 3.014 1.00 0.00 N ATOM 1177 CA TRP A 78 4.741 -1.255 1.928 1.00 0.00 C ATOM 1178 C TRP A 78 3.607 -0.313 2.318 1.00 0.00 C ATOM 1179 O TRP A 78 3.793 0.901 2.393 1.00 0.00 O ATOM 1180 CB TRP A 78 4.367 -2.027 0.662 1.00 0.00 C ATOM 1181 CG TRP A 78 4.174 -1.147 -0.536 1.00 0.00 C ATOM 1182 CD1 TRP A 78 5.111 -0.829 -1.478 1.00 0.00 C ATOM 1183 CD2 TRP A 78 2.971 -0.472 -0.918 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.562 0.004 -2.423 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.251 0.238 -2.103 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.685 -0.399 -0.377 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.290 1.009 -2.752 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.734 0.368 -1.022 1.00 0.00 C ATOM 1189 CH2 TRP A 78 1.040 1.063 -2.199 1.00 0.00 C ATOM 0 H TRP A 78 5.006 -3.165 2.753 1.00 0.00 H new ATOM 0 HA TRP A 78 5.632 -0.659 1.731 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.148 -2.756 0.446 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.450 -2.587 0.844 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.132 -1.180 -1.480 1.00 0.00 H new ATOM 0 HE1 TRP A 78 5.052 0.386 -3.232 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.439 -0.933 0.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.523 1.545 -3.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.263 0.433 -0.612 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.274 1.653 -2.679 1.00 0.00 H new ATOM 1200 N PHE A 79 2.431 -0.881 2.565 1.00 0.00 N ATOM 1201 CA PHE A 79 1.266 -0.092 2.947 1.00 0.00 C ATOM 1202 C PHE A 79 1.605 0.862 4.088 1.00 0.00 C ATOM 1203 O PHE A 79 1.343 2.062 4.007 1.00 0.00 O ATOM 1204 CB PHE A 79 0.114 -1.010 3.360 1.00 0.00 C ATOM 1205 CG PHE A 79 -1.083 -0.271 3.888 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -1.827 0.551 3.057 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -1.463 -0.399 5.214 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -2.928 1.233 3.541 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -2.563 0.280 5.703 1.00 0.00 C ATOM 1210 CZ PHE A 79 -3.297 1.096 4.864 1.00 0.00 C ATOM 0 H PHE A 79 2.260 -1.885 2.507 1.00 0.00 H new ATOM 0 HA PHE A 79 0.959 0.498 2.083 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.189 -1.609 2.501 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.468 -1.703 4.123 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.544 0.660 2.020 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.893 -1.037 5.873 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.499 1.873 2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.848 0.173 6.739 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.158 1.626 5.243 1.00 0.00 H new ATOM 1220 N TRP A 80 2.188 0.319 5.151 1.00 0.00 N ATOM 1221 CA TRP A 80 2.563 1.122 6.310 1.00 0.00 C ATOM 1222 C TRP A 80 3.449 2.293 5.898 1.00 0.00 C ATOM 1223 O TRP A 80 3.062 3.453 6.034 1.00 0.00 O ATOM 1224 CB TRP A 80 3.289 0.256 7.341 1.00 0.00 C ATOM 1225 CG TRP A 80 2.397 -0.747 8.007 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.581 -2.100 8.061 1.00 0.00 C ATOM 1227 CD2 TRP A 80 1.180 -0.478 8.713 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.552 -2.687 8.757 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.680 -1.714 9.168 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.466 0.687 9.006 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.501 -1.815 9.898 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -0.706 0.585 9.730 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -1.180 -0.658 10.171 1.00 0.00 C ATOM 0 H TRP A 80 2.411 -0.673 5.235 1.00 0.00 H new ATOM 0 HA TRP A 80 1.651 1.520 6.756 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.110 -0.267 6.852 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.730 0.901 8.101 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.413 -2.630 7.621 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.453 -3.686 8.938 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.824 1.650 8.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.869 -2.772 10.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.267 1.479 9.960 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.099 -0.704 10.737 1.00 0.00 H new ATOM 1244 N GLY A 81 4.639 1.981 5.393 1.00 0.00 N ATOM 1245 CA GLY A 81 5.560 3.019 4.969 1.00 0.00 C ATOM 1246 C GLY A 81 4.883 4.090 4.136 1.00 0.00 C ATOM 1247 O GLY A 81 4.775 5.240 4.560 1.00 0.00 O ATOM 0 H GLY A 81 4.981 1.028 5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.014 3.479 5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.368 2.570 4.391 1.00 0.00 H new ATOM 1251 N SER A 82 4.427 3.711 2.946 1.00 0.00 N ATOM 1252 CA SER A 82 3.763 4.649 2.049 1.00 0.00 C ATOM 1253 C SER A 82 2.926 5.653 2.835 1.00 0.00 C ATOM 1254 O SER A 82 2.903 6.843 2.516 1.00 0.00 O ATOM 1255 CB SER A 82 2.875 3.895 1.056 1.00 0.00 C ATOM 1256 OG SER A 82 3.639 3.377 -0.019 1.00 0.00 O ATOM 0 H SER A 82 4.505 2.762 2.581 1.00 0.00 H new ATOM 0 HA SER A 82 4.531 5.194 1.500 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.362 3.081 1.568 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.106 4.564 0.670 1.00 0.00 H new ATOM 0 HG SER A 82 3.049 2.899 -0.639 1.00 0.00 H new ATOM 1262 N ILE A 83 2.241 5.166 3.864 1.00 0.00 N ATOM 1263 CA ILE A 83 1.403 6.020 4.697 1.00 0.00 C ATOM 1264 C ILE A 83 2.252 6.941 5.567 1.00 0.00 C ATOM 1265 O ILE A 83 2.024 8.150 5.614 1.00 0.00 O ATOM 1266 CB ILE A 83 0.475 5.189 5.602 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.424 4.286 4.755 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.362 6.103 6.484 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -0.975 3.099 5.514 1.00 0.00 C ATOM 0 H ILE A 83 2.250 4.184 4.141 1.00 0.00 H new ATOM 0 HA ILE A 83 0.794 6.621 4.021 1.00 0.00 H new ATOM 0 HB ILE A 83 1.088 4.558 6.246 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.254 4.875 4.366 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.142 3.927 3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.013 5.501 7.118 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.295 6.707 7.109 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.969 6.757 5.858 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.603 2.503 4.852 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.151 2.487 5.880 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.569 3.450 6.358 1.00 0.00 H new ATOM 1281 N GLN A 84 3.231 6.361 6.253 1.00 0.00 N ATOM 1282 CA GLN A 84 4.115 7.131 7.121 1.00 0.00 C ATOM 1283 C GLN A 84 4.763 8.280 6.357 1.00 0.00 C ATOM 1284 O GLN A 84 4.752 9.424 6.810 1.00 0.00 O ATOM 1285 CB GLN A 84 5.195 6.226 7.716 1.00 0.00 C ATOM 1286 CG GLN A 84 5.729 6.714 9.053 1.00 0.00 C ATOM 1287 CD GLN A 84 6.292 5.591 9.902 1.00 0.00 C ATOM 1288 OE1 GLN A 84 6.159 4.415 9.563 1.00 0.00 O ATOM 1289 NE2 GLN A 84 6.927 5.949 11.012 1.00 0.00 N ATOM 0 H GLN A 84 3.432 5.361 6.225 1.00 0.00 H new ATOM 0 HA GLN A 84 3.515 7.549 7.929 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.788 5.223 7.841 1.00 0.00 H new ATOM 0 HB3 GLN A 84 6.022 6.149 7.010 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.506 7.458 8.880 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.928 7.211 9.600 1.00 0.00 H new ATOM 0 HE21 GLN A 84 7.014 6.936 11.254 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.328 5.237 11.622 1.00 0.00 H new ATOM 1298 N MET A 85 5.327 7.968 5.194 1.00 0.00 N ATOM 1299 CA MET A 85 5.979 8.977 4.367 1.00 0.00 C ATOM 1300 C MET A 85 4.988 9.602 3.389 1.00 0.00 C ATOM 1301 O MET A 85 5.324 10.538 2.664 1.00 0.00 O ATOM 1302 CB MET A 85 7.149 8.358 3.599 1.00 0.00 C ATOM 1303 CG MET A 85 6.736 7.230 2.668 1.00 0.00 C ATOM 1304 SD MET A 85 8.058 6.034 2.398 1.00 0.00 S ATOM 1305 CE MET A 85 7.332 5.010 1.119 1.00 0.00 C ATOM 0 H MET A 85 5.346 7.026 4.804 1.00 0.00 H new ATOM 0 HA MET A 85 6.358 9.760 5.024 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.643 9.136 3.017 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.881 7.980 4.312 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.868 6.719 3.085 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.429 7.649 1.710 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.039 4.232 0.831 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.419 4.549 1.496 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.096 5.625 0.251 1.00 0.00 H new ATOM 1315 N ASP A 86 3.767 9.078 3.376 1.00 0.00 N ATOM 1316 CA ASP A 86 2.727 9.586 2.488 1.00 0.00 C ATOM 1317 C ASP A 86 3.211 9.608 1.042 1.00 0.00 C ATOM 1318 O ASP A 86 2.970 10.568 0.311 1.00 0.00 O ATOM 1319 CB ASP A 86 2.301 10.990 2.918 1.00 0.00 C ATOM 1320 CG ASP A 86 1.475 10.980 4.189 1.00 0.00 C ATOM 1321 OD1 ASP A 86 0.803 9.961 4.453 1.00 0.00 O ATOM 1322 OD2 ASP A 86 1.500 11.992 4.921 1.00 0.00 O ATOM 0 H ASP A 86 3.473 8.302 3.970 1.00 0.00 H new ATOM 0 HA ASP A 86 1.868 8.918 2.555 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.188 11.605 3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.725 11.453 2.117 1.00 0.00 H new ATOM 1327 N ALA A 87 3.896 8.544 0.636 1.00 0.00 N ATOM 1328 CA ALA A 87 4.413 8.441 -0.723 1.00 0.00 C ATOM 1329 C ALA A 87 4.407 6.994 -1.205 1.00 0.00 C ATOM 1330 O ALA A 87 4.877 6.095 -0.507 1.00 0.00 O ATOM 1331 CB ALA A 87 5.818 9.018 -0.799 1.00 0.00 C ATOM 0 H ALA A 87 4.106 7.741 1.229 1.00 0.00 H new ATOM 0 HA ALA A 87 3.759 9.018 -1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.191 8.934 -1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.797 10.068 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.475 8.466 -0.126 1.00 0.00 H new ATOM 1337 N ARG A 88 3.871 6.775 -2.401 1.00 0.00 N ATOM 1338 CA ARG A 88 3.802 5.437 -2.975 1.00 0.00 C ATOM 1339 C ARG A 88 5.201 4.882 -3.228 1.00 0.00 C ATOM 1340 O ARG A 88 5.844 5.222 -4.220 1.00 0.00 O ATOM 1341 CB ARG A 88 3.006 5.459 -4.281 1.00 0.00 C ATOM 1342 CG ARG A 88 2.524 4.087 -4.724 1.00 0.00 C ATOM 1343 CD ARG A 88 1.853 4.145 -6.087 1.00 0.00 C ATOM 1344 NE ARG A 88 2.817 4.023 -7.177 1.00 0.00 N ATOM 1345 CZ ARG A 88 3.449 5.058 -7.719 1.00 0.00 C ATOM 1346 NH1 ARG A 88 3.219 6.286 -7.275 1.00 0.00 N ATOM 1347 NH2 ARG A 88 4.312 4.867 -8.709 1.00 0.00 N ATOM 0 H ARG A 88 3.478 7.508 -2.992 1.00 0.00 H new ATOM 0 HA ARG A 88 3.296 4.788 -2.261 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.145 6.116 -4.160 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.627 5.888 -5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.368 3.399 -4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.823 3.692 -3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.117 3.345 -6.163 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.312 5.086 -6.185 1.00 0.00 H new ATOM 0 HE ARG A 88 3.016 3.092 -7.542 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.555 6.438 -6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.706 7.079 -7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.491 3.924 -9.055 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.796 5.663 -9.124 1.00 0.00 H new ATOM 1361 N ALA A 89 5.665 4.025 -2.324 1.00 0.00 N ATOM 1362 CA ALA A 89 6.985 3.422 -2.450 1.00 0.00 C ATOM 1363 C ALA A 89 7.022 2.414 -3.594 1.00 0.00 C ATOM 1364 O ALA A 89 5.981 1.967 -4.073 1.00 0.00 O ATOM 1365 CB ALA A 89 7.388 2.754 -1.143 1.00 0.00 C ATOM 0 H ALA A 89 5.145 3.733 -1.496 1.00 0.00 H new ATOM 0 HA ALA A 89 7.698 4.215 -2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.376 2.308 -1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.412 3.498 -0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.665 1.978 -0.893 1.00 0.00 H new ATOM 1371 N GLY A 90 8.228 2.061 -4.028 1.00 0.00 N ATOM 1372 CA GLY A 90 8.377 1.109 -5.113 1.00 0.00 C ATOM 1373 C GLY A 90 8.045 -0.308 -4.690 1.00 0.00 C ATOM 1374 O GLY A 90 8.549 -0.794 -3.678 1.00 0.00 O ATOM 0 H GLY A 90 9.105 2.417 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.728 1.400 -5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.401 1.144 -5.485 1.00 0.00 H new ATOM 1378 N GLU A 91 7.195 -0.972 -5.467 1.00 0.00 N ATOM 1379 CA GLU A 91 6.795 -2.341 -5.165 1.00 0.00 C ATOM 1380 C GLU A 91 8.006 -3.270 -5.149 1.00 0.00 C ATOM 1381 O GLU A 91 8.090 -4.186 -4.330 1.00 0.00 O ATOM 1382 CB GLU A 91 5.773 -2.836 -6.190 1.00 0.00 C ATOM 1383 CG GLU A 91 4.594 -1.895 -6.377 1.00 0.00 C ATOM 1384 CD GLU A 91 3.563 -2.026 -5.273 1.00 0.00 C ATOM 1385 OE1 GLU A 91 2.715 -2.938 -5.357 1.00 0.00 O ATOM 1386 OE2 GLU A 91 3.605 -1.215 -4.324 1.00 0.00 O ATOM 0 H GLU A 91 6.771 -0.584 -6.310 1.00 0.00 H new ATOM 0 HA GLU A 91 6.339 -2.349 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.271 -2.976 -7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.402 -3.812 -5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.956 -0.867 -6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.120 -2.098 -7.337 1.00 0.00 H new ATOM 1393 N THR A 92 8.943 -3.028 -6.060 1.00 0.00 N ATOM 1394 CA THR A 92 10.148 -3.842 -6.153 1.00 0.00 C ATOM 1395 C THR A 92 10.897 -3.869 -4.826 1.00 0.00 C ATOM 1396 O THR A 92 11.702 -4.765 -4.574 1.00 0.00 O ATOM 1397 CB THR A 92 11.093 -3.323 -7.253 1.00 0.00 C ATOM 1398 OG1 THR A 92 10.423 -3.331 -8.518 1.00 0.00 O ATOM 1399 CG2 THR A 92 12.350 -4.177 -7.333 1.00 0.00 C ATOM 0 H THR A 92 8.890 -2.274 -6.745 1.00 0.00 H new ATOM 0 HA THR A 92 9.828 -4.853 -6.407 1.00 0.00 H new ATOM 0 HB THR A 92 11.382 -2.302 -7.002 1.00 0.00 H new ATOM 0 HG1 THR A 92 11.030 -2.998 -9.212 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.002 -3.792 -8.117 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.873 -4.145 -6.377 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.076 -5.207 -7.563 1.00 0.00 H new ATOM 1407 N MET A 93 10.626 -2.881 -3.979 1.00 0.00 N ATOM 1408 CA MET A 93 11.274 -2.793 -2.675 1.00 0.00 C ATOM 1409 C MET A 93 10.500 -3.588 -1.629 1.00 0.00 C ATOM 1410 O MET A 93 11.021 -3.892 -0.555 1.00 0.00 O ATOM 1411 CB MET A 93 11.392 -1.332 -2.238 1.00 0.00 C ATOM 1412 CG MET A 93 12.427 -0.544 -3.025 1.00 0.00 C ATOM 1413 SD MET A 93 13.011 0.914 -2.139 1.00 0.00 S ATOM 1414 CE MET A 93 12.427 2.220 -3.215 1.00 0.00 C ATOM 0 H MET A 93 9.963 -2.131 -4.172 1.00 0.00 H new ATOM 0 HA MET A 93 12.273 -3.220 -2.764 1.00 0.00 H new ATOM 0 HB2 MET A 93 10.421 -0.849 -2.346 1.00 0.00 H new ATOM 0 HB3 MET A 93 11.649 -1.298 -1.179 1.00 0.00 H new ATOM 0 HG2 MET A 93 13.275 -1.190 -3.252 1.00 0.00 H new ATOM 0 HG3 MET A 93 11.997 -0.237 -3.978 1.00 0.00 H new ATOM 0 HE1 MET A 93 12.712 3.187 -2.801 1.00 0.00 H new ATOM 0 HE2 MET A 93 12.872 2.103 -4.203 1.00 0.00 H new ATOM 0 HE3 MET A 93 11.341 2.166 -3.297 1.00 0.00 H new ATOM 1424 N TYR A 94 9.254 -3.922 -1.948 1.00 0.00 N ATOM 1425 CA TYR A 94 8.408 -4.679 -1.033 1.00 0.00 C ATOM 1426 C TYR A 94 7.696 -5.814 -1.764 1.00 0.00 C ATOM 1427 O TYR A 94 6.636 -6.275 -1.337 1.00 0.00 O ATOM 1428 CB TYR A 94 7.380 -3.758 -0.375 1.00 0.00 C ATOM 1429 CG TYR A 94 7.982 -2.505 0.219 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.295 -1.413 -0.582 1.00 0.00 C ATOM 1431 CD2 TYR A 94 8.241 -2.413 1.581 1.00 0.00 C ATOM 1432 CE1 TYR A 94 8.846 -0.267 -0.043 1.00 0.00 C ATOM 1433 CE2 TYR A 94 8.790 -1.270 2.129 1.00 0.00 C ATOM 1434 CZ TYR A 94 9.092 -0.200 1.312 1.00 0.00 C ATOM 1435 OH TYR A 94 9.641 0.940 1.854 1.00 0.00 O ATOM 0 H TYR A 94 8.808 -3.680 -2.833 1.00 0.00 H new ATOM 0 HA TYR A 94 9.046 -5.110 -0.261 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.631 -3.476 -1.115 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.861 -4.309 0.409 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.104 -1.462 -1.644 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.009 -3.250 2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.083 0.573 -0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.982 -1.214 3.190 1.00 0.00 H new ATOM 0 HH TYR A 94 9.749 0.823 2.821 1.00 0.00 H new ATOM 1445 N LEU A 95 8.287 -6.261 -2.867 1.00 0.00 N ATOM 1446 CA LEU A 95 7.711 -7.343 -3.658 1.00 0.00 C ATOM 1447 C LEU A 95 7.758 -8.662 -2.892 1.00 0.00 C ATOM 1448 O LEU A 95 8.832 -9.209 -2.644 1.00 0.00 O ATOM 1449 CB LEU A 95 8.458 -7.484 -4.985 1.00 0.00 C ATOM 1450 CG LEU A 95 7.894 -6.686 -6.161 1.00 0.00 C ATOM 1451 CD1 LEU A 95 8.609 -7.058 -7.451 1.00 0.00 C ATOM 1452 CD2 LEU A 95 6.396 -6.918 -6.293 1.00 0.00 C ATOM 0 H LEU A 95 9.164 -5.891 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 95 6.668 -7.098 -3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.494 -7.181 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.472 -8.538 -5.261 1.00 0.00 H new ATOM 0 HG LEU A 95 8.062 -5.626 -5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.194 -6.480 -8.277 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.672 -6.840 -7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.474 -8.121 -7.648 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.011 -6.342 -7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.205 -7.978 -6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.897 -6.600 -5.378 1.00 0.00 H new ATOM 1464 N TYR A 96 6.586 -9.167 -2.523 1.00 0.00 N ATOM 1465 CA TYR A 96 6.493 -10.422 -1.786 1.00 0.00 C ATOM 1466 C TYR A 96 6.942 -11.596 -2.650 1.00 0.00 C ATOM 1467 O TYR A 96 6.287 -11.944 -3.632 1.00 0.00 O ATOM 1468 CB TYR A 96 5.060 -10.649 -1.303 1.00 0.00 C ATOM 1469 CG TYR A 96 4.861 -11.970 -0.596 1.00 0.00 C ATOM 1470 CD1 TYR A 96 5.766 -12.410 0.363 1.00 0.00 C ATOM 1471 CD2 TYR A 96 3.769 -12.779 -0.885 1.00 0.00 C ATOM 1472 CE1 TYR A 96 5.589 -13.617 1.011 1.00 0.00 C ATOM 1473 CE2 TYR A 96 3.584 -13.986 -0.241 1.00 0.00 C ATOM 1474 CZ TYR A 96 4.496 -14.401 0.706 1.00 0.00 C ATOM 1475 OH TYR A 96 4.316 -15.604 1.350 1.00 0.00 O ATOM 0 H TYR A 96 5.688 -8.727 -2.722 1.00 0.00 H new ATOM 0 HA TYR A 96 7.155 -10.356 -0.922 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.781 -9.840 -0.628 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.385 -10.599 -2.158 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.622 -11.798 0.606 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.052 -12.458 -1.626 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.303 -13.945 1.752 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.729 -14.602 -0.478 1.00 0.00 H new ATOM 0 HH TYR A 96 3.994 -16.273 0.710 1.00 0.00 H new