USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 543 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 44 ASN : amide:sc= -4.48! C(o=-6.2!,f=-19!) USER MOD Set 1.2: A 56 MET CE :methyl -108:sc= -1.7 (180deg=-2.65!) USER MOD Set 2.1: A 14 LYS NZ :NH3+ -140:sc= -2.3! (180deg=-4.64!) USER MOD Set 2.2: A 20 ASN : amide:sc= -2.31 K(o=-4.6,f=-7.9!) USER MOD Single : A 13 TYR OH : rot 30:sc= -0.996 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -147:sc= -1.29 (180deg=-1.92) USER MOD Single : A 21 TYR OH : rot -88:sc= -1.13! USER MOD Single : A 28 MET CE :methyl 160:sc= -0.998 (180deg=-1.89) USER MOD Single : A 33 TYR OH : rot 120:sc= -1.43! USER MOD Single : A 36 SER OG : rot 178:sc= -7.87! USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= 0.00905 (180deg=-0.439) USER MOD Single : A 43 HIS : no HD1:sc= -0.474 K(o=-0.47,f=-1) USER MOD Single : A 46 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.48) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.274 K(o=-0.27,f=-5.4!) USER MOD Single : A 60 HIS : no HD1:sc= -0.654 K(o=-0.65,f=-2.1!) USER MOD Single : A 65 THR OG1 : rot 152:sc= -15.8! USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD ----------------------------------------------------------------- ATOM 94 N ASP A 7 -5.006 9.701 7.122 1.00 0.00 N ATOM 95 CA ASP A 7 -5.865 10.063 5.996 1.00 0.00 C ATOM 96 C ASP A 7 -5.674 11.530 5.590 1.00 0.00 C ATOM 97 O ASP A 7 -6.007 11.918 4.472 1.00 0.00 O ATOM 98 CB ASP A 7 -7.331 9.815 6.354 1.00 0.00 C ATOM 99 CG ASP A 7 -7.775 10.618 7.561 1.00 0.00 C ATOM 100 OD1 ASP A 7 -6.923 10.911 8.426 1.00 0.00 O ATOM 101 OD2 ASP A 7 -8.976 10.956 7.641 1.00 0.00 O ATOM 0 HA ASP A 7 -5.583 9.437 5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.959 10.070 5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.479 8.754 6.553 1.00 0.00 H new ATOM 106 N GLU A 8 -5.159 12.338 6.516 1.00 0.00 N ATOM 107 CA GLU A 8 -4.948 13.767 6.280 1.00 0.00 C ATOM 108 C GLU A 8 -4.163 14.035 4.998 1.00 0.00 C ATOM 109 O GLU A 8 -4.633 14.741 4.103 1.00 0.00 O ATOM 110 CB GLU A 8 -4.173 14.360 7.455 1.00 0.00 C ATOM 111 CG GLU A 8 -4.864 14.179 8.798 1.00 0.00 C ATOM 112 CD GLU A 8 -3.882 14.063 9.948 1.00 0.00 C ATOM 113 OE1 GLU A 8 -2.828 13.418 9.767 1.00 0.00 O ATOM 114 OE2 GLU A 8 -4.168 14.618 11.030 1.00 0.00 O ATOM 0 H GLU A 8 -4.878 12.024 7.445 1.00 0.00 H new ATOM 0 HA GLU A 8 -5.930 14.229 6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.187 13.898 7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.018 15.424 7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.529 15.024 8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.486 13.285 8.765 1.00 0.00 H new ATOM 121 N GLU A 9 -2.966 13.487 4.911 1.00 0.00 N ATOM 122 CA GLU A 9 -2.138 13.694 3.735 1.00 0.00 C ATOM 123 C GLU A 9 -2.746 13.004 2.518 1.00 0.00 C ATOM 124 O GLU A 9 -2.504 13.408 1.380 1.00 0.00 O ATOM 125 CB GLU A 9 -0.720 13.175 3.987 1.00 0.00 C ATOM 126 CG GLU A 9 0.330 14.274 4.026 1.00 0.00 C ATOM 127 CD GLU A 9 0.562 14.907 2.668 1.00 0.00 C ATOM 128 OE1 GLU A 9 1.400 14.382 1.904 1.00 0.00 O ATOM 129 OE2 GLU A 9 -0.094 15.926 2.368 1.00 0.00 O ATOM 0 H GLU A 9 -2.547 12.900 5.632 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.090 14.764 3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.703 12.633 4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.459 12.461 3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.019 15.043 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.269 13.862 4.396 1.00 0.00 H new ATOM 136 N TRP A 10 -3.520 11.952 2.761 1.00 0.00 N ATOM 137 CA TRP A 10 -4.140 11.200 1.680 1.00 0.00 C ATOM 138 C TRP A 10 -5.454 11.804 1.184 1.00 0.00 C ATOM 139 O TRP A 10 -5.863 11.530 0.056 1.00 0.00 O ATOM 140 CB TRP A 10 -4.371 9.741 2.061 1.00 0.00 C ATOM 141 CG TRP A 10 -4.649 8.902 0.855 1.00 0.00 C ATOM 142 CD1 TRP A 10 -5.866 8.473 0.423 1.00 0.00 C ATOM 143 CD2 TRP A 10 -3.690 8.414 -0.091 1.00 0.00 C ATOM 144 NE1 TRP A 10 -5.729 7.765 -0.744 1.00 0.00 N ATOM 145 CE2 TRP A 10 -4.400 7.703 -1.074 1.00 0.00 C ATOM 146 CE3 TRP A 10 -2.301 8.510 -0.201 1.00 0.00 C ATOM 147 CZ2 TRP A 10 -3.768 7.093 -2.155 1.00 0.00 C ATOM 148 CZ3 TRP A 10 -1.673 7.902 -1.271 1.00 0.00 C ATOM 149 CH2 TRP A 10 -2.408 7.202 -2.236 1.00 0.00 C ATOM 0 H TRP A 10 -3.732 11.602 3.695 1.00 0.00 H new ATOM 0 HA TRP A 10 -3.423 11.255 0.861 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.494 9.355 2.581 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -5.208 9.672 2.755 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.803 8.662 0.926 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -6.492 7.352 -1.279 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.728 9.050 0.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -4.332 6.554 -2.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.599 7.968 -1.365 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -1.889 6.738 -3.062 1.00 0.00 H new ATOM 160 N VAL A 11 -6.131 12.610 2.003 1.00 0.00 N ATOM 161 CA VAL A 11 -7.388 13.193 1.579 1.00 0.00 C ATOM 162 C VAL A 11 -7.119 14.121 0.434 1.00 0.00 C ATOM 163 O VAL A 11 -7.842 14.132 -0.564 1.00 0.00 O ATOM 164 CB VAL A 11 -8.133 13.958 2.703 1.00 0.00 C ATOM 165 CG1 VAL A 11 -7.167 14.685 3.620 1.00 0.00 C ATOM 166 CG2 VAL A 11 -9.128 14.938 2.104 1.00 0.00 C ATOM 0 H VAL A 11 -5.831 12.866 2.944 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.043 12.372 1.286 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.671 13.224 3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.726 15.210 4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.493 13.964 4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.587 15.404 3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.644 15.468 2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.599 15.655 1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.856 14.395 1.501 1.00 0.00 H new ATOM 176 N GLU A 12 -6.060 14.893 0.573 1.00 0.00 N ATOM 177 CA GLU A 12 -5.700 15.806 -0.471 1.00 0.00 C ATOM 178 C GLU A 12 -5.336 15.019 -1.725 1.00 0.00 C ATOM 179 O GLU A 12 -5.528 15.474 -2.853 1.00 0.00 O ATOM 180 CB GLU A 12 -4.535 16.701 -0.040 1.00 0.00 C ATOM 181 CG GLU A 12 -4.787 17.441 1.263 1.00 0.00 C ATOM 182 CD GLU A 12 -3.506 17.773 2.002 1.00 0.00 C ATOM 183 OE1 GLU A 12 -2.750 16.834 2.330 1.00 0.00 O ATOM 184 OE2 GLU A 12 -3.257 18.970 2.251 1.00 0.00 O ATOM 0 H GLU A 12 -5.448 14.901 1.389 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.551 16.453 -0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.638 16.090 0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.335 17.427 -0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.331 18.362 1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.425 16.833 1.904 1.00 0.00 H new ATOM 191 N TYR A 13 -4.807 13.824 -1.492 1.00 0.00 N ATOM 192 CA TYR A 13 -4.393 12.913 -2.559 1.00 0.00 C ATOM 193 C TYR A 13 -5.578 12.211 -3.227 1.00 0.00 C ATOM 194 O TYR A 13 -5.606 12.048 -4.445 1.00 0.00 O ATOM 195 CB TYR A 13 -3.420 11.874 -2.004 1.00 0.00 C ATOM 196 CG TYR A 13 -1.968 12.266 -2.155 1.00 0.00 C ATOM 197 CD1 TYR A 13 -1.441 13.336 -1.443 1.00 0.00 C ATOM 198 CD2 TYR A 13 -1.126 11.569 -3.012 1.00 0.00 C ATOM 199 CE1 TYR A 13 -0.115 13.700 -1.581 1.00 0.00 C ATOM 200 CE2 TYR A 13 0.202 11.926 -3.154 1.00 0.00 C ATOM 201 CZ TYR A 13 0.702 12.992 -2.436 1.00 0.00 C ATOM 202 OH TYR A 13 2.022 13.352 -2.576 1.00 0.00 O ATOM 0 H TYR A 13 -4.651 13.455 -0.554 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.903 13.515 -3.324 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.637 11.713 -0.948 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.586 10.924 -2.512 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.078 13.892 -0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.515 10.735 -3.577 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.279 14.535 -1.021 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.844 11.373 -3.823 1.00 0.00 H new ATOM 0 HH TYR A 13 2.344 13.748 -1.739 1.00 0.00 H new ATOM 212 N LYS A 14 -6.532 11.762 -2.414 1.00 0.00 N ATOM 213 CA LYS A 14 -7.700 11.034 -2.912 1.00 0.00 C ATOM 214 C LYS A 14 -8.383 11.757 -4.070 1.00 0.00 C ATOM 215 O LYS A 14 -8.987 11.122 -4.934 1.00 0.00 O ATOM 216 CB LYS A 14 -8.707 10.828 -1.774 1.00 0.00 C ATOM 217 CG LYS A 14 -8.259 9.804 -0.737 1.00 0.00 C ATOM 218 CD LYS A 14 -8.916 10.026 0.621 1.00 0.00 C ATOM 219 CE LYS A 14 -10.401 10.342 0.501 1.00 0.00 C ATOM 220 NZ LYS A 14 -10.644 11.776 0.182 1.00 0.00 N ATOM 0 H LYS A 14 -6.520 11.890 -1.402 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.348 10.072 -3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.881 11.783 -1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.660 10.510 -2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.497 8.802 -1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.176 9.853 -0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.785 9.135 1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.413 10.845 1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.842 9.718 -0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.902 10.089 1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.462 12.118 0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.804 12.335 0.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.836 11.878 -0.835 1.00 0.00 H new ATOM 234 N SER A 15 -8.271 13.078 -4.101 1.00 0.00 N ATOM 235 CA SER A 15 -8.855 13.862 -5.164 1.00 0.00 C ATOM 236 C SER A 15 -8.039 13.678 -6.415 1.00 0.00 C ATOM 237 O SER A 15 -8.566 13.490 -7.512 1.00 0.00 O ATOM 238 CB SER A 15 -8.883 15.337 -4.780 1.00 0.00 C ATOM 239 OG SER A 15 -9.412 15.518 -3.478 1.00 0.00 O ATOM 0 H SER A 15 -7.777 13.625 -3.396 1.00 0.00 H new ATOM 0 HA SER A 15 -9.878 13.529 -5.337 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.874 15.746 -4.825 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.485 15.892 -5.500 1.00 0.00 H new ATOM 0 HG SER A 15 -9.417 16.473 -3.257 1.00 0.00 H new ATOM 245 N LYS A 16 -6.730 13.762 -6.229 1.00 0.00 N ATOM 246 CA LYS A 16 -5.808 13.641 -7.327 1.00 0.00 C ATOM 247 C LYS A 16 -5.496 12.187 -7.673 1.00 0.00 C ATOM 248 O LYS A 16 -4.834 11.912 -8.673 1.00 0.00 O ATOM 249 CB LYS A 16 -4.511 14.395 -7.025 1.00 0.00 C ATOM 250 CG LYS A 16 -4.733 15.760 -6.393 1.00 0.00 C ATOM 251 CD LYS A 16 -5.338 16.741 -7.383 1.00 0.00 C ATOM 252 CE LYS A 16 -5.763 18.030 -6.699 1.00 0.00 C ATOM 253 NZ LYS A 16 -6.482 18.943 -7.630 1.00 0.00 N ATOM 0 H LYS A 16 -6.290 13.914 -5.321 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.294 14.085 -8.195 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.896 13.791 -6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.949 14.520 -7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.391 15.660 -5.530 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.784 16.151 -6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.612 16.965 -8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.200 16.284 -7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.407 17.796 -5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.884 18.537 -6.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.754 19.810 -7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.859 19.188 -8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.335 18.470 -7.990 1.00 0.00 H new ATOM 267 N PHE A 17 -5.958 11.259 -6.843 1.00 0.00 N ATOM 268 CA PHE A 17 -5.698 9.841 -7.080 1.00 0.00 C ATOM 269 C PHE A 17 -6.909 9.126 -7.678 1.00 0.00 C ATOM 270 O PHE A 17 -6.798 7.991 -8.140 1.00 0.00 O ATOM 271 CB PHE A 17 -5.272 9.155 -5.780 1.00 0.00 C ATOM 272 CG PHE A 17 -3.848 8.675 -5.800 1.00 0.00 C ATOM 273 CD1 PHE A 17 -3.382 7.892 -6.844 1.00 0.00 C ATOM 274 CD2 PHE A 17 -2.975 9.010 -4.777 1.00 0.00 C ATOM 275 CE1 PHE A 17 -2.073 7.451 -6.867 1.00 0.00 C ATOM 276 CE2 PHE A 17 -1.665 8.572 -4.795 1.00 0.00 C ATOM 277 CZ PHE A 17 -1.213 7.792 -5.842 1.00 0.00 C ATOM 0 H PHE A 17 -6.509 11.458 -6.008 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.888 9.777 -7.806 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.402 9.850 -4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.931 8.308 -5.592 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.050 7.623 -7.649 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.323 9.620 -3.957 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.723 6.840 -7.686 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.995 8.839 -3.991 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.189 7.450 -5.859 1.00 0.00 H new ATOM 287 N ASP A 18 -8.067 9.784 -7.662 1.00 0.00 N ATOM 288 CA ASP A 18 -9.290 9.190 -8.202 1.00 0.00 C ATOM 289 C ASP A 18 -9.764 8.012 -7.344 1.00 0.00 C ATOM 290 O ASP A 18 -10.703 7.305 -7.711 1.00 0.00 O ATOM 291 CB ASP A 18 -9.070 8.727 -9.646 1.00 0.00 C ATOM 292 CG ASP A 18 -8.417 9.796 -10.503 1.00 0.00 C ATOM 293 OD1 ASP A 18 -7.346 10.303 -10.106 1.00 0.00 O ATOM 294 OD2 ASP A 18 -8.977 10.126 -11.569 1.00 0.00 O ATOM 0 H ASP A 18 -8.185 10.724 -7.283 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.064 9.958 -8.187 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.446 7.833 -9.647 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.028 8.448 -10.085 1.00 0.00 H new ATOM 299 N LYS A 19 -9.120 7.820 -6.195 1.00 0.00 N ATOM 300 CA LYS A 19 -9.479 6.750 -5.273 1.00 0.00 C ATOM 301 C LYS A 19 -9.642 7.333 -3.878 1.00 0.00 C ATOM 302 O LYS A 19 -8.678 7.432 -3.117 1.00 0.00 O ATOM 303 CB LYS A 19 -8.406 5.659 -5.271 1.00 0.00 C ATOM 304 CG LYS A 19 -7.997 5.207 -6.663 1.00 0.00 C ATOM 305 CD LYS A 19 -6.971 4.086 -6.606 1.00 0.00 C ATOM 306 CE LYS A 19 -5.581 4.619 -6.297 1.00 0.00 C ATOM 307 NZ LYS A 19 -5.245 4.492 -4.852 1.00 0.00 N ATOM 0 H LYS A 19 -8.341 8.398 -5.880 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.418 6.298 -5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.526 6.027 -4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.775 4.799 -4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.877 4.869 -7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.584 6.052 -7.214 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.262 3.363 -5.844 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.955 3.557 -7.559 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.844 4.077 -6.890 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.520 5.666 -6.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.637 5.286 -4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.120 4.506 -4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.743 3.596 -4.690 1.00 0.00 H new ATOM 321 N ASN A 20 -10.856 7.764 -3.567 1.00 0.00 N ATOM 322 CA ASN A 20 -11.133 8.392 -2.285 1.00 0.00 C ATOM 323 C ASN A 20 -11.571 7.408 -1.206 1.00 0.00 C ATOM 324 O ASN A 20 -12.613 6.763 -1.316 1.00 0.00 O ATOM 325 CB ASN A 20 -12.204 9.471 -2.455 1.00 0.00 C ATOM 326 CG ASN A 20 -11.809 10.524 -3.472 1.00 0.00 C ATOM 327 OD1 ASN A 20 -11.372 10.202 -4.578 1.00 0.00 O ATOM 328 ND2 ASN A 20 -11.959 11.790 -3.103 1.00 0.00 N ATOM 0 H ASN A 20 -11.664 7.690 -4.185 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.193 8.831 -1.949 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.140 9.005 -2.764 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -12.389 9.950 -1.493 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -11.709 12.542 -3.746 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.325 12.011 -2.177 1.00 0.00 H new ATOM 335 N TYR A 21 -10.784 7.353 -0.135 1.00 0.00 N ATOM 336 CA TYR A 21 -11.093 6.514 1.012 1.00 0.00 C ATOM 337 C TYR A 21 -10.594 7.202 2.286 1.00 0.00 C ATOM 338 O TYR A 21 -9.374 7.404 2.483 1.00 0.00 O ATOM 339 CB TYR A 21 -10.499 5.117 0.856 1.00 0.00 C ATOM 340 CG TYR A 21 -9.122 5.101 0.264 1.00 0.00 C ATOM 341 CD1 TYR A 21 -8.030 5.285 1.076 1.00 0.00 C ATOM 342 CD2 TYR A 21 -8.910 4.888 -1.092 1.00 0.00 C ATOM 343 CE1 TYR A 21 -6.759 5.259 0.573 1.00 0.00 C ATOM 344 CE2 TYR A 21 -7.630 4.861 -1.611 1.00 0.00 C ATOM 345 CZ TYR A 21 -6.554 5.046 -0.764 1.00 0.00 C ATOM 346 OH TYR A 21 -5.271 5.029 -1.253 1.00 0.00 O ATOM 0 H TYR A 21 -9.920 7.887 -0.041 1.00 0.00 H new ATOM 0 HA TYR A 21 -12.173 6.385 1.081 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.468 4.635 1.833 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.160 4.521 0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.178 5.454 2.132 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.755 4.742 -1.748 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.915 5.407 1.231 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.472 4.697 -2.667 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.000 5.940 -1.492 1.00 0.00 H new ATOM 356 N GLU A 22 -11.585 7.593 3.102 1.00 0.00 N ATOM 357 CA GLU A 22 -11.402 8.331 4.357 1.00 0.00 C ATOM 358 C GLU A 22 -10.902 7.490 5.529 1.00 0.00 C ATOM 359 O GLU A 22 -10.656 6.291 5.409 1.00 0.00 O ATOM 360 CB GLU A 22 -12.717 9.011 4.744 1.00 0.00 C ATOM 361 CG GLU A 22 -12.569 10.494 5.049 1.00 0.00 C ATOM 362 CD GLU A 22 -12.876 10.827 6.495 1.00 0.00 C ATOM 363 OE1 GLU A 22 -12.785 9.917 7.346 1.00 0.00 O ATOM 364 OE2 GLU A 22 -13.210 11.997 6.777 1.00 0.00 O ATOM 0 H GLU A 22 -12.565 7.397 2.899 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.616 9.060 4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.434 8.885 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.133 8.509 5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.552 10.809 4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.235 11.062 4.400 1.00 0.00 H new ATOM 371 N ALA A 23 -10.738 8.180 6.662 1.00 0.00 N ATOM 372 CA ALA A 23 -10.242 7.598 7.909 1.00 0.00 C ATOM 373 C ALA A 23 -10.825 6.218 8.214 1.00 0.00 C ATOM 374 O ALA A 23 -10.108 5.349 8.714 1.00 0.00 O ATOM 375 CB ALA A 23 -10.533 8.543 9.064 1.00 0.00 C ATOM 0 H ALA A 23 -10.950 9.175 6.738 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.168 7.460 7.783 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.163 8.108 9.992 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.037 9.497 8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.608 8.702 9.142 1.00 0.00 H new ATOM 381 N GLU A 24 -12.110 6.002 7.940 1.00 0.00 N ATOM 382 CA GLU A 24 -12.712 4.700 8.232 1.00 0.00 C ATOM 383 C GLU A 24 -11.904 3.584 7.576 1.00 0.00 C ATOM 384 O GLU A 24 -11.391 2.693 8.254 1.00 0.00 O ATOM 385 CB GLU A 24 -14.160 4.660 7.736 1.00 0.00 C ATOM 386 CG GLU A 24 -15.036 3.674 8.492 1.00 0.00 C ATOM 387 CD GLU A 24 -16.337 3.381 7.771 1.00 0.00 C ATOM 388 OE1 GLU A 24 -16.305 3.209 6.534 1.00 0.00 O ATOM 389 OE2 GLU A 24 -17.388 3.323 8.444 1.00 0.00 O ATOM 0 H GLU A 24 -12.741 6.689 7.528 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.706 4.551 9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.592 5.657 7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.165 4.400 6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.488 2.743 8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.255 4.073 9.482 1.00 0.00 H new ATOM 396 N GLU A 25 -11.747 3.672 6.260 1.00 0.00 N ATOM 397 CA GLU A 25 -10.945 2.707 5.517 1.00 0.00 C ATOM 398 C GLU A 25 -9.465 2.995 5.742 1.00 0.00 C ATOM 399 O GLU A 25 -8.634 2.092 5.833 1.00 0.00 O ATOM 400 CB GLU A 25 -11.278 2.773 4.023 1.00 0.00 C ATOM 401 CG GLU A 25 -11.847 1.476 3.469 1.00 0.00 C ATOM 402 CD GLU A 25 -11.890 1.455 1.952 1.00 0.00 C ATOM 403 OE1 GLU A 25 -11.388 2.414 1.329 1.00 0.00 O ATOM 404 OE2 GLU A 25 -12.427 0.479 1.388 1.00 0.00 O ATOM 0 H GLU A 25 -12.165 4.403 5.685 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.174 1.703 5.874 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.995 3.576 3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.375 3.030 3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.244 0.639 3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.854 1.330 3.859 1.00 0.00 H new ATOM 411 N ASP A 26 -9.164 4.288 5.802 1.00 0.00 N ATOM 412 CA ASP A 26 -7.810 4.794 5.983 1.00 0.00 C ATOM 413 C ASP A 26 -7.129 4.260 7.234 1.00 0.00 C ATOM 414 O ASP A 26 -5.908 4.200 7.292 1.00 0.00 O ATOM 415 CB ASP A 26 -7.848 6.308 6.076 1.00 0.00 C ATOM 416 CG ASP A 26 -7.812 6.983 4.720 1.00 0.00 C ATOM 417 OD1 ASP A 26 -7.181 6.427 3.798 1.00 0.00 O ATOM 418 OD2 ASP A 26 -8.409 8.071 4.584 1.00 0.00 O ATOM 0 H ASP A 26 -9.866 5.024 5.725 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.235 4.454 5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.752 6.612 6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.001 6.652 6.670 1.00 0.00 H new ATOM 423 N LEU A 27 -7.906 3.919 8.248 1.00 0.00 N ATOM 424 CA LEU A 27 -7.340 3.445 9.504 1.00 0.00 C ATOM 425 C LEU A 27 -6.292 2.354 9.271 1.00 0.00 C ATOM 426 O LEU A 27 -5.125 2.487 9.674 1.00 0.00 O ATOM 427 CB LEU A 27 -8.477 2.931 10.370 1.00 0.00 C ATOM 428 CG LEU A 27 -8.305 3.183 11.863 1.00 0.00 C ATOM 429 CD1 LEU A 27 -9.555 3.824 12.449 1.00 0.00 C ATOM 430 CD2 LEU A 27 -7.971 1.891 12.593 1.00 0.00 C ATOM 0 H LEU A 27 -8.925 3.960 8.229 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.828 4.266 10.006 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.406 3.398 10.041 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.584 1.859 10.206 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.473 3.874 11.997 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.410 3.995 13.516 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.744 4.775 11.951 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.408 3.161 12.300 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.853 2.095 13.657 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.778 1.172 12.449 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.043 1.479 12.197 1.00 0.00 H new ATOM 442 N MET A 28 -6.685 1.309 8.565 1.00 0.00 N ATOM 443 CA MET A 28 -5.756 0.241 8.233 1.00 0.00 C ATOM 444 C MET A 28 -4.744 0.764 7.223 1.00 0.00 C ATOM 445 O MET A 28 -3.618 0.269 7.116 1.00 0.00 O ATOM 446 CB MET A 28 -6.499 -0.971 7.665 1.00 0.00 C ATOM 447 CG MET A 28 -7.343 -0.654 6.441 1.00 0.00 C ATOM 448 SD MET A 28 -8.266 -2.083 5.845 1.00 0.00 S ATOM 449 CE MET A 28 -9.129 -2.575 7.335 1.00 0.00 C ATOM 0 H MET A 28 -7.633 1.176 8.212 1.00 0.00 H new ATOM 0 HA MET A 28 -5.240 -0.080 9.138 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.773 -1.741 7.405 1.00 0.00 H new ATOM 0 HB3 MET A 28 -7.142 -1.388 8.440 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.040 0.149 6.683 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.697 -0.286 5.644 1.00 0.00 H new ATOM 0 HE1 MET A 28 -9.987 -3.194 7.071 1.00 0.00 H new ATOM 0 HE2 MET A 28 -8.454 -3.144 7.975 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.472 -1.687 7.867 1.00 0.00 H new ATOM 459 N ARG A 29 -5.166 1.785 6.484 1.00 0.00 N ATOM 460 CA ARG A 29 -4.333 2.407 5.479 1.00 0.00 C ATOM 461 C ARG A 29 -3.282 3.310 6.114 1.00 0.00 C ATOM 462 O ARG A 29 -2.200 3.491 5.567 1.00 0.00 O ATOM 463 CB ARG A 29 -5.187 3.228 4.540 1.00 0.00 C ATOM 464 CG ARG A 29 -5.836 2.430 3.412 1.00 0.00 C ATOM 465 CD ARG A 29 -7.224 2.950 3.063 1.00 0.00 C ATOM 466 NE ARG A 29 -7.656 2.473 1.749 1.00 0.00 N ATOM 467 CZ ARG A 29 -8.502 1.460 1.558 1.00 0.00 C ATOM 468 NH1 ARG A 29 -9.131 0.901 2.584 1.00 0.00 N ATOM 469 NH2 ARG A 29 -8.720 1.004 0.330 1.00 0.00 N ATOM 0 H ARG A 29 -6.094 2.199 6.570 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.826 1.615 4.928 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.970 3.719 5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.572 4.015 4.104 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.201 2.473 2.527 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.905 1.382 3.704 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.937 2.627 3.822 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.219 4.040 3.073 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.286 2.946 0.925 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.970 1.246 3.530 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.776 0.127 2.426 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.241 1.428 -0.464 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.367 0.229 0.181 1.00 0.00 H new ATOM 483 N ARG A 30 -3.600 3.880 7.273 1.00 0.00 N ATOM 484 CA ARG A 30 -2.659 4.754 7.959 1.00 0.00 C ATOM 485 C ARG A 30 -1.332 4.033 8.073 1.00 0.00 C ATOM 486 O ARG A 30 -0.262 4.635 7.974 1.00 0.00 O ATOM 487 CB ARG A 30 -3.172 5.121 9.351 1.00 0.00 C ATOM 488 CG ARG A 30 -4.635 5.513 9.370 1.00 0.00 C ATOM 489 CD ARG A 30 -4.975 6.354 10.591 1.00 0.00 C ATOM 490 NE ARG A 30 -5.639 7.603 10.227 1.00 0.00 N ATOM 491 CZ ARG A 30 -6.341 8.344 11.080 1.00 0.00 C ATOM 492 NH1 ARG A 30 -6.482 7.961 12.344 1.00 0.00 N ATOM 493 NH2 ARG A 30 -6.907 9.470 10.669 1.00 0.00 N ATOM 0 H ARG A 30 -4.492 3.753 7.751 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.542 5.677 7.391 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.022 4.274 10.020 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.577 5.946 9.743 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.874 6.072 8.465 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.253 4.615 9.363 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.620 5.781 11.258 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.062 6.576 11.144 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.560 7.926 9.263 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.051 7.094 12.665 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.021 8.534 12.993 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.804 9.768 9.699 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.445 10.038 11.323 1.00 0.00 H new ATOM 507 N ARG A 31 -1.426 2.722 8.255 1.00 0.00 N ATOM 508 CA ARG A 31 -0.245 1.878 8.352 1.00 0.00 C ATOM 509 C ARG A 31 0.451 1.736 6.992 1.00 0.00 C ATOM 510 O ARG A 31 1.688 1.684 6.915 1.00 0.00 O ATOM 511 CB ARG A 31 -0.624 0.495 8.886 1.00 0.00 C ATOM 512 CG ARG A 31 -1.449 0.538 10.161 1.00 0.00 C ATOM 513 CD ARG A 31 -0.569 0.697 11.389 1.00 0.00 C ATOM 514 NE ARG A 31 -1.282 1.331 12.496 1.00 0.00 N ATOM 515 CZ ARG A 31 -0.883 1.274 13.765 1.00 0.00 C ATOM 516 NH1 ARG A 31 0.221 0.614 14.092 1.00 0.00 N ATOM 517 NH2 ARG A 31 -1.590 1.878 14.710 1.00 0.00 N ATOM 0 H ARG A 31 -2.310 2.221 8.338 1.00 0.00 H new ATOM 0 HA ARG A 31 0.449 2.355 9.044 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.184 -0.040 8.119 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.286 -0.075 9.072 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.157 1.365 10.110 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.034 -0.377 10.248 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.207 -0.281 11.704 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.306 1.294 11.133 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.136 1.848 12.284 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.769 0.147 13.369 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.522 0.574 15.066 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.440 2.386 14.465 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.284 1.834 15.682 1.00 0.00 H new ATOM 531 N ILE A 32 -0.334 1.715 5.907 1.00 0.00 N ATOM 532 CA ILE A 32 0.253 1.606 4.579 1.00 0.00 C ATOM 533 C ILE A 32 0.745 2.960 4.162 1.00 0.00 C ATOM 534 O ILE A 32 1.753 3.096 3.487 1.00 0.00 O ATOM 535 CB ILE A 32 -0.719 0.983 3.552 1.00 0.00 C ATOM 536 CG1 ILE A 32 -0.517 1.563 2.180 1.00 0.00 C ATOM 537 CG2 ILE A 32 -2.142 1.117 3.972 1.00 0.00 C ATOM 538 CD1 ILE A 32 0.855 1.334 1.665 1.00 0.00 C ATOM 0 H ILE A 32 -1.352 1.771 5.926 1.00 0.00 H new ATOM 0 HA ILE A 32 1.097 0.917 4.616 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.487 -0.081 3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.238 1.122 1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.717 2.634 2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.788 0.665 3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.289 0.612 4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.392 2.173 4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.949 1.772 0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.578 1.798 2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.048 0.263 1.609 1.00 0.00 H new ATOM 550 N TYR A 33 0.041 3.965 4.594 1.00 0.00 N ATOM 551 CA TYR A 33 0.434 5.308 4.294 1.00 0.00 C ATOM 552 C TYR A 33 1.799 5.629 4.908 1.00 0.00 C ATOM 553 O TYR A 33 2.569 6.423 4.359 1.00 0.00 O ATOM 554 CB TYR A 33 -0.592 6.337 4.767 1.00 0.00 C ATOM 555 CG TYR A 33 -0.536 7.606 3.945 1.00 0.00 C ATOM 556 CD1 TYR A 33 0.398 7.735 2.928 1.00 0.00 C ATOM 557 CD2 TYR A 33 -1.410 8.659 4.168 1.00 0.00 C ATOM 558 CE1 TYR A 33 0.463 8.864 2.153 1.00 0.00 C ATOM 559 CE2 TYR A 33 -1.352 9.803 3.391 1.00 0.00 C ATOM 560 CZ TYR A 33 -0.415 9.898 2.380 1.00 0.00 C ATOM 561 OH TYR A 33 -0.349 11.034 1.606 1.00 0.00 O ATOM 0 H TYR A 33 -0.807 3.879 5.154 1.00 0.00 H new ATOM 0 HA TYR A 33 0.498 5.373 3.208 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.592 5.908 4.705 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.411 6.575 5.815 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.090 6.927 2.742 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.144 8.586 4.957 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.200 8.941 1.368 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.036 10.618 3.574 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.201 11.162 1.139 1.00 0.00 H new ATOM 571 N ALA A 34 2.088 5.019 6.058 1.00 0.00 N ATOM 572 CA ALA A 34 3.351 5.258 6.752 1.00 0.00 C ATOM 573 C ALA A 34 4.546 5.025 5.849 1.00 0.00 C ATOM 574 O ALA A 34 5.430 5.875 5.731 1.00 0.00 O ATOM 575 CB ALA A 34 3.446 4.392 7.999 1.00 0.00 C ATOM 0 H ALA A 34 1.467 4.359 6.526 1.00 0.00 H new ATOM 0 HA ALA A 34 3.367 6.307 7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.393 4.583 8.503 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.622 4.631 8.671 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.391 3.341 7.717 1.00 0.00 H new ATOM 581 N GLU A 35 4.554 3.884 5.201 1.00 0.00 N ATOM 582 CA GLU A 35 5.633 3.540 4.278 1.00 0.00 C ATOM 583 C GLU A 35 5.758 4.572 3.158 1.00 0.00 C ATOM 584 O GLU A 35 6.839 4.773 2.613 1.00 0.00 O ATOM 585 CB GLU A 35 5.385 2.174 3.667 1.00 0.00 C ATOM 586 CG GLU A 35 3.933 1.962 3.315 1.00 0.00 C ATOM 587 CD GLU A 35 3.363 0.725 3.981 1.00 0.00 C ATOM 588 OE1 GLU A 35 3.205 0.737 5.220 1.00 0.00 O ATOM 589 OE2 GLU A 35 3.088 -0.263 3.266 1.00 0.00 O ATOM 0 H GLU A 35 3.829 3.172 5.289 1.00 0.00 H new ATOM 0 HA GLU A 35 6.562 3.528 4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.994 2.063 2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.704 1.402 4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.355 2.835 3.617 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.831 1.871 2.234 1.00 0.00 H new ATOM 596 N SER A 36 4.636 5.193 2.790 1.00 0.00 N ATOM 597 CA SER A 36 4.621 6.162 1.689 1.00 0.00 C ATOM 598 C SER A 36 5.735 7.183 1.827 1.00 0.00 C ATOM 599 O SER A 36 6.545 7.343 0.915 1.00 0.00 O ATOM 600 CB SER A 36 3.282 6.895 1.636 1.00 0.00 C ATOM 601 OG SER A 36 2.202 5.988 1.572 1.00 0.00 O ATOM 0 H SER A 36 3.730 5.045 3.234 1.00 0.00 H new ATOM 0 HA SER A 36 4.772 5.600 0.767 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.176 7.528 2.517 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.259 7.553 0.767 1.00 0.00 H new ATOM 0 HG SER A 36 1.357 6.485 1.567 1.00 0.00 H new ATOM 607 N LYS A 37 5.805 7.860 2.961 1.00 0.00 N ATOM 608 CA LYS A 37 6.872 8.833 3.157 1.00 0.00 C ATOM 609 C LYS A 37 8.216 8.132 3.026 1.00 0.00 C ATOM 610 O LYS A 37 9.145 8.655 2.410 1.00 0.00 O ATOM 611 CB LYS A 37 6.770 9.516 4.512 1.00 0.00 C ATOM 612 CG LYS A 37 5.345 9.663 5.040 1.00 0.00 C ATOM 613 CD LYS A 37 4.377 10.135 3.957 1.00 0.00 C ATOM 614 CE LYS A 37 4.021 11.604 4.119 1.00 0.00 C ATOM 615 NZ LYS A 37 2.882 11.998 3.240 1.00 0.00 N ATOM 0 H LYS A 37 5.156 7.761 3.742 1.00 0.00 H new ATOM 0 HA LYS A 37 6.776 9.606 2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.356 8.949 5.236 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.222 10.505 4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.006 8.706 5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.337 10.373 5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.824 9.975 2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.468 9.534 3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.763 11.803 5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.891 12.217 3.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.851 13.034 3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.009 11.577 2.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.990 11.658 3.654 1.00 0.00 H new ATOM 629 N ALA A 38 8.298 6.914 3.571 1.00 0.00 N ATOM 630 CA ALA A 38 9.517 6.120 3.464 1.00 0.00 C ATOM 631 C ALA A 38 9.891 6.000 2.002 1.00 0.00 C ATOM 632 O ALA A 38 11.058 6.062 1.619 1.00 0.00 O ATOM 633 CB ALA A 38 9.317 4.745 4.085 1.00 0.00 C ATOM 0 H ALA A 38 7.541 6.464 4.085 1.00 0.00 H new ATOM 0 HA ALA A 38 10.324 6.612 4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.237 4.168 3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.059 4.855 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.511 4.225 3.567 1.00 0.00 H new ATOM 639 N ARG A 39 8.855 5.860 1.199 1.00 0.00 N ATOM 640 CA ARG A 39 8.970 5.763 -0.236 1.00 0.00 C ATOM 641 C ARG A 39 9.345 7.108 -0.823 1.00 0.00 C ATOM 642 O ARG A 39 10.026 7.198 -1.834 1.00 0.00 O ATOM 643 CB ARG A 39 7.654 5.293 -0.805 1.00 0.00 C ATOM 644 CG ARG A 39 7.071 4.134 -0.016 1.00 0.00 C ATOM 645 CD ARG A 39 7.187 2.824 -0.780 1.00 0.00 C ATOM 646 NE ARG A 39 6.568 1.714 -0.061 1.00 0.00 N ATOM 647 CZ ARG A 39 6.662 0.440 -0.439 1.00 0.00 C ATOM 648 NH1 ARG A 39 7.351 0.114 -1.527 1.00 0.00 N ATOM 649 NH2 ARG A 39 6.068 -0.508 0.271 1.00 0.00 N ATOM 0 H ARG A 39 7.893 5.810 1.535 1.00 0.00 H new ATOM 0 HA ARG A 39 9.752 5.048 -0.491 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.945 6.121 -0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.796 4.990 -1.842 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.589 4.046 0.939 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.023 4.335 0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.715 2.931 -1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.239 2.600 -0.957 1.00 0.00 H new ATOM 0 HE ARG A 39 6.032 1.927 0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.810 0.840 -2.076 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.421 -0.863 -1.813 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.538 -0.263 1.107 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.140 -1.483 -0.019 1.00 0.00 H new ATOM 663 N ILE A 40 8.884 8.170 -0.190 1.00 0.00 N ATOM 664 CA ILE A 40 9.194 9.500 -0.672 1.00 0.00 C ATOM 665 C ILE A 40 10.675 9.748 -0.482 1.00 0.00 C ATOM 666 O ILE A 40 11.344 10.363 -1.308 1.00 0.00 O ATOM 667 CB ILE A 40 8.305 10.541 0.014 1.00 0.00 C ATOM 668 CG1 ILE A 40 6.836 10.248 -0.348 1.00 0.00 C ATOM 669 CG2 ILE A 40 8.698 11.954 -0.396 1.00 0.00 C ATOM 670 CD1 ILE A 40 6.639 9.185 -1.434 1.00 0.00 C ATOM 0 H ILE A 40 8.302 8.139 0.647 1.00 0.00 H new ATOM 0 HA ILE A 40 8.978 9.588 -1.737 1.00 0.00 H new ATOM 0 HB ILE A 40 8.435 10.475 1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.312 9.928 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.366 11.175 -0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.050 12.672 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.734 12.140 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.592 12.063 -1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.574 9.048 -1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.129 9.508 -2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.074 8.242 -1.103 1.00 0.00 H new ATOM 682 N GLU A 41 11.181 9.160 0.581 1.00 0.00 N ATOM 683 CA GLU A 41 12.601 9.183 0.890 1.00 0.00 C ATOM 684 C GLU A 41 13.324 8.259 -0.098 1.00 0.00 C ATOM 685 O GLU A 41 14.526 8.370 -0.330 1.00 0.00 O ATOM 686 CB GLU A 41 12.849 8.726 2.330 1.00 0.00 C ATOM 687 CG GLU A 41 12.617 9.819 3.360 1.00 0.00 C ATOM 688 CD GLU A 41 11.816 9.337 4.555 1.00 0.00 C ATOM 689 OE1 GLU A 41 10.711 8.794 4.348 1.00 0.00 O ATOM 690 OE2 GLU A 41 12.295 9.501 5.696 1.00 0.00 O ATOM 0 H GLU A 41 10.618 8.649 1.261 1.00 0.00 H new ATOM 0 HA GLU A 41 12.982 10.200 0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.195 7.883 2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.874 8.367 2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.579 10.200 3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.094 10.651 2.889 1.00 0.00 H new ATOM 697 N GLU A 42 12.551 7.296 -0.602 1.00 0.00 N ATOM 698 CA GLU A 42 13.019 6.238 -1.501 1.00 0.00 C ATOM 699 C GLU A 42 13.759 6.718 -2.752 1.00 0.00 C ATOM 700 O GLU A 42 14.946 6.439 -2.929 1.00 0.00 O ATOM 701 CB GLU A 42 11.745 5.549 -2.011 1.00 0.00 C ATOM 702 CG GLU A 42 11.965 4.469 -3.051 1.00 0.00 C ATOM 703 CD GLU A 42 11.296 3.158 -2.687 1.00 0.00 C ATOM 704 OE1 GLU A 42 10.262 3.193 -1.989 1.00 0.00 O ATOM 705 OE2 GLU A 42 11.809 2.096 -3.099 1.00 0.00 O ATOM 0 H GLU A 42 11.555 7.228 -0.391 1.00 0.00 H new ATOM 0 HA GLU A 42 13.719 5.621 -0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.224 5.110 -1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.085 6.307 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.582 4.813 -4.012 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.035 4.303 -3.175 1.00 0.00 H new ATOM 712 N HIS A 43 13.049 7.405 -3.627 1.00 0.00 N ATOM 713 CA HIS A 43 13.626 7.873 -4.878 1.00 0.00 C ATOM 714 C HIS A 43 14.408 9.155 -4.710 1.00 0.00 C ATOM 715 O HIS A 43 15.368 9.414 -5.435 1.00 0.00 O ATOM 716 CB HIS A 43 12.518 8.073 -5.896 1.00 0.00 C ATOM 717 CG HIS A 43 12.098 6.809 -6.581 1.00 0.00 C ATOM 718 ND1 HIS A 43 12.996 5.911 -7.117 1.00 0.00 N ATOM 719 CD2 HIS A 43 10.868 6.293 -6.818 1.00 0.00 C ATOM 720 CE1 HIS A 43 12.338 4.899 -7.654 1.00 0.00 C ATOM 721 NE2 HIS A 43 11.046 5.106 -7.485 1.00 0.00 N ATOM 0 H HIS A 43 12.068 7.653 -3.496 1.00 0.00 H new ATOM 0 HA HIS A 43 14.328 7.114 -5.224 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.653 8.511 -5.398 1.00 0.00 H new ATOM 0 HB3 HIS A 43 12.851 8.790 -6.647 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.923 6.733 -6.535 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.782 4.047 -8.147 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.300 4.485 -7.799 1.00 0.00 H new ATOM 730 N ASN A 44 13.973 9.969 -3.773 1.00 0.00 N ATOM 731 CA ASN A 44 14.608 11.242 -3.532 1.00 0.00 C ATOM 732 C ASN A 44 16.037 11.068 -3.054 1.00 0.00 C ATOM 733 O ASN A 44 16.883 11.919 -3.313 1.00 0.00 O ATOM 734 CB ASN A 44 13.784 12.045 -2.543 1.00 0.00 C ATOM 735 CG ASN A 44 13.050 13.171 -3.235 1.00 0.00 C ATOM 736 OD1 ASN A 44 11.977 12.968 -3.808 1.00 0.00 O ATOM 737 ND2 ASN A 44 13.647 14.356 -3.215 1.00 0.00 N ATOM 0 H ASN A 44 13.179 9.769 -3.165 1.00 0.00 H new ATOM 0 HA ASN A 44 14.656 11.792 -4.472 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.068 11.391 -2.046 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.434 12.452 -1.769 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.218 15.151 -3.688 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.535 14.472 -2.726 1.00 0.00 H new ATOM 744 N ARG A 45 16.296 9.959 -2.370 1.00 0.00 N ATOM 745 CA ARG A 45 17.633 9.652 -1.869 1.00 0.00 C ATOM 746 C ARG A 45 18.453 8.885 -2.915 1.00 0.00 C ATOM 747 O ARG A 45 19.677 8.789 -2.821 1.00 0.00 O ATOM 748 CB ARG A 45 17.522 8.823 -0.592 1.00 0.00 C ATOM 749 CG ARG A 45 17.391 9.662 0.668 1.00 0.00 C ATOM 750 CD ARG A 45 18.679 10.407 0.981 1.00 0.00 C ATOM 751 NE ARG A 45 19.247 10.004 2.265 1.00 0.00 N ATOM 752 CZ ARG A 45 20.080 8.975 2.421 1.00 0.00 C ATOM 753 NH1 ARG A 45 20.445 8.238 1.379 1.00 0.00 N ATOM 754 NH2 ARG A 45 20.550 8.683 3.626 1.00 0.00 N ATOM 0 H ARG A 45 15.594 9.253 -2.148 1.00 0.00 H new ATOM 0 HA ARG A 45 18.145 10.591 -1.657 1.00 0.00 H new ATOM 0 HB2 ARG A 45 16.658 8.163 -0.671 1.00 0.00 H new ATOM 0 HB3 ARG A 45 18.402 8.186 -0.505 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.577 10.377 0.547 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.128 9.019 1.508 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.406 10.223 0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.484 11.479 0.992 1.00 0.00 H new ATOM 0 HE ARG A 45 18.991 10.543 3.092 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.088 8.457 0.449 1.00 0.00 H new ATOM 0 HH12 ARG A 45 21.083 7.453 1.508 1.00 0.00 H new ATOM 0 HH21 ARG A 45 20.274 9.245 4.431 1.00 0.00 H new ATOM 0 HH22 ARG A 45 21.187 7.896 3.748 1.00 0.00 H new ATOM 768 N LYS A 46 17.745 8.304 -3.876 1.00 0.00 N ATOM 769 CA LYS A 46 18.346 7.482 -4.932 1.00 0.00 C ATOM 770 C LYS A 46 19.203 8.267 -5.940 1.00 0.00 C ATOM 771 O LYS A 46 20.409 8.030 -6.051 1.00 0.00 O ATOM 772 CB LYS A 46 17.197 6.813 -5.648 1.00 0.00 C ATOM 773 CG LYS A 46 17.178 5.300 -5.514 1.00 0.00 C ATOM 774 CD LYS A 46 15.793 4.733 -5.785 1.00 0.00 C ATOM 775 CE LYS A 46 15.715 3.259 -5.423 1.00 0.00 C ATOM 776 NZ LYS A 46 15.602 3.053 -3.952 1.00 0.00 N ATOM 0 H LYS A 46 16.731 8.387 -3.949 1.00 0.00 H new ATOM 0 HA LYS A 46 19.036 6.776 -4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.260 7.213 -5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 46 17.242 7.073 -6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 46 17.894 4.863 -6.211 1.00 0.00 H new ATOM 0 HG3 LYS A 46 17.497 5.019 -4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.052 5.290 -5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.545 4.864 -6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.856 2.808 -5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.603 2.747 -5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 16.158 2.219 -3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.964 3.892 -3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.605 2.904 -3.698 1.00 0.00 H new ATOM 790 N PHE A 47 18.614 9.254 -6.616 1.00 0.00 N ATOM 791 CA PHE A 47 19.379 10.094 -7.534 1.00 0.00 C ATOM 792 C PHE A 47 20.314 10.845 -6.668 1.00 0.00 C ATOM 793 O PHE A 47 21.469 11.104 -6.994 1.00 0.00 O ATOM 794 CB PHE A 47 18.520 11.066 -8.326 1.00 0.00 C ATOM 795 CG PHE A 47 17.729 12.024 -7.497 1.00 0.00 C ATOM 796 CD1 PHE A 47 18.269 13.231 -7.084 1.00 0.00 C ATOM 797 CD2 PHE A 47 16.434 11.719 -7.155 1.00 0.00 C ATOM 798 CE1 PHE A 47 17.518 14.119 -6.340 1.00 0.00 C ATOM 799 CE2 PHE A 47 15.674 12.599 -6.409 1.00 0.00 C ATOM 800 CZ PHE A 47 16.217 13.802 -6.002 1.00 0.00 C ATOM 0 H PHE A 47 17.624 9.488 -6.546 1.00 0.00 H new ATOM 0 HA PHE A 47 19.873 9.475 -8.283 1.00 0.00 H new ATOM 0 HB2 PHE A 47 19.164 11.634 -8.997 1.00 0.00 H new ATOM 0 HB3 PHE A 47 17.833 10.495 -8.951 1.00 0.00 H new ATOM 0 HD1 PHE A 47 19.287 13.480 -7.346 1.00 0.00 H new ATOM 0 HD2 PHE A 47 16.005 10.780 -7.473 1.00 0.00 H new ATOM 0 HE1 PHE A 47 17.946 15.058 -6.023 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.658 12.347 -6.145 1.00 0.00 H new ATOM 0 HZ PHE A 47 15.625 14.493 -5.421 1.00 0.00 H new ATOM 810 N GLU A 48 19.778 11.110 -5.499 1.00 0.00 N ATOM 811 CA GLU A 48 20.489 11.738 -4.445 1.00 0.00 C ATOM 812 C GLU A 48 21.803 10.977 -4.224 1.00 0.00 C ATOM 813 O GLU A 48 22.721 11.459 -3.560 1.00 0.00 O ATOM 814 CB GLU A 48 19.596 11.676 -3.215 1.00 0.00 C ATOM 815 CG GLU A 48 19.226 13.043 -2.662 1.00 0.00 C ATOM 816 CD GLU A 48 18.686 12.974 -1.247 1.00 0.00 C ATOM 817 OE1 GLU A 48 19.501 12.971 -0.300 1.00 0.00 O ATOM 818 OE2 GLU A 48 17.449 12.922 -1.085 1.00 0.00 O ATOM 0 H GLU A 48 18.812 10.884 -5.264 1.00 0.00 H new ATOM 0 HA GLU A 48 20.735 12.776 -4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.683 11.136 -3.466 1.00 0.00 H new ATOM 0 HB3 GLU A 48 20.102 11.104 -2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 48 20.105 13.688 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.479 13.503 -3.310 1.00 0.00 H new ATOM 825 N LYS A 49 21.864 9.774 -4.817 1.00 0.00 N ATOM 826 CA LYS A 49 23.025 8.907 -4.740 1.00 0.00 C ATOM 827 C LYS A 49 23.841 8.974 -6.022 1.00 0.00 C ATOM 828 O LYS A 49 24.630 8.072 -6.303 1.00 0.00 O ATOM 829 CB LYS A 49 22.587 7.464 -4.477 1.00 0.00 C ATOM 830 CG LYS A 49 23.372 6.783 -3.367 1.00 0.00 C ATOM 831 CD LYS A 49 23.841 5.397 -3.782 1.00 0.00 C ATOM 832 CE LYS A 49 25.216 5.443 -4.428 1.00 0.00 C ATOM 833 NZ LYS A 49 26.081 4.318 -3.976 1.00 0.00 N ATOM 0 H LYS A 49 21.097 9.383 -5.365 1.00 0.00 H new ATOM 0 HA LYS A 49 23.651 9.250 -3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.528 7.456 -4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.696 6.887 -5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 49 24.234 7.395 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 49 22.750 6.705 -2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 49 23.870 4.745 -2.909 1.00 0.00 H new ATOM 0 HD3 LYS A 49 23.125 4.963 -4.480 1.00 0.00 H new ATOM 0 HE2 LYS A 49 25.109 5.405 -5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 49 25.698 6.391 -4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 27.009 4.386 -4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 26.205 4.368 -2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 25.634 3.413 -4.228 1.00 0.00 H new ATOM 847 N GLY A 50 23.625 10.021 -6.828 1.00 0.00 N ATOM 848 CA GLY A 50 24.339 10.120 -8.094 1.00 0.00 C ATOM 849 C GLY A 50 24.172 8.825 -8.847 1.00 0.00 C ATOM 850 O GLY A 50 25.069 8.351 -9.545 1.00 0.00 O ATOM 0 H GLY A 50 22.981 10.787 -6.630 1.00 0.00 H new ATOM 0 HA2 GLY A 50 23.951 10.952 -8.682 1.00 0.00 H new ATOM 0 HA3 GLY A 50 25.396 10.320 -7.917 1.00 0.00 H new ATOM 854 N GLU A 51 23.010 8.236 -8.616 1.00 0.00 N ATOM 855 CA GLU A 51 22.636 6.954 -9.160 1.00 0.00 C ATOM 856 C GLU A 51 21.889 7.077 -10.492 1.00 0.00 C ATOM 857 O GLU A 51 22.333 6.567 -11.521 1.00 0.00 O ATOM 858 CB GLU A 51 21.760 6.271 -8.102 1.00 0.00 C ATOM 859 CG GLU A 51 22.308 4.935 -7.628 1.00 0.00 C ATOM 860 CD GLU A 51 21.493 4.339 -6.497 1.00 0.00 C ATOM 861 OE1 GLU A 51 20.318 4.734 -6.340 1.00 0.00 O ATOM 862 OE2 GLU A 51 22.029 3.477 -5.769 1.00 0.00 O ATOM 0 H GLU A 51 22.287 8.652 -8.029 1.00 0.00 H new ATOM 0 HA GLU A 51 23.529 6.369 -9.381 1.00 0.00 H new ATOM 0 HB2 GLU A 51 21.655 6.936 -7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.761 6.120 -8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 51 22.327 4.237 -8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.339 5.065 -7.299 1.00 0.00 H new ATOM 869 N VAL A 52 20.753 7.756 -10.450 1.00 0.00 N ATOM 870 CA VAL A 52 19.902 7.979 -11.601 1.00 0.00 C ATOM 871 C VAL A 52 19.083 9.163 -11.275 1.00 0.00 C ATOM 872 O VAL A 52 19.098 9.598 -10.138 1.00 0.00 O ATOM 873 CB VAL A 52 18.918 6.803 -11.850 1.00 0.00 C ATOM 874 CG1 VAL A 52 19.204 5.661 -10.903 1.00 0.00 C ATOM 875 CG2 VAL A 52 17.452 7.228 -11.706 1.00 0.00 C ATOM 0 H VAL A 52 20.392 8.176 -9.593 1.00 0.00 H new ATOM 0 HA VAL A 52 20.525 8.092 -12.488 1.00 0.00 H new ATOM 0 HB VAL A 52 19.074 6.478 -12.879 1.00 0.00 H new ATOM 0 HG11 VAL A 52 18.504 4.847 -11.093 1.00 0.00 H new ATOM 0 HG12 VAL A 52 20.223 5.307 -11.057 1.00 0.00 H new ATOM 0 HG13 VAL A 52 19.091 6.004 -9.875 1.00 0.00 H new ATOM 0 HG21 VAL A 52 16.805 6.370 -11.890 1.00 0.00 H new ATOM 0 HG22 VAL A 52 17.279 7.603 -10.697 1.00 0.00 H new ATOM 0 HG23 VAL A 52 17.228 8.013 -12.428 1.00 0.00 H new ATOM 885 N THR A 53 18.282 9.627 -12.188 1.00 0.00 N ATOM 886 CA THR A 53 17.405 10.674 -11.800 1.00 0.00 C ATOM 887 C THR A 53 15.988 10.123 -11.756 1.00 0.00 C ATOM 888 O THR A 53 15.267 10.084 -12.754 1.00 0.00 O ATOM 889 CB THR A 53 17.584 11.832 -12.750 1.00 0.00 C ATOM 890 OG1 THR A 53 16.944 12.998 -12.263 1.00 0.00 O ATOM 891 CG2 THR A 53 17.076 11.561 -14.149 1.00 0.00 C ATOM 0 H THR A 53 18.221 9.313 -13.157 1.00 0.00 H new ATOM 0 HA THR A 53 17.628 11.053 -10.803 1.00 0.00 H new ATOM 0 HB THR A 53 18.662 11.979 -12.808 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.077 13.733 -12.897 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.240 12.440 -14.772 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.611 10.711 -14.572 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.010 11.336 -14.112 1.00 0.00 H new ATOM 899 N TRP A 54 15.615 9.721 -10.546 1.00 0.00 N ATOM 900 CA TRP A 54 14.288 9.176 -10.246 1.00 0.00 C ATOM 901 C TRP A 54 13.774 9.699 -8.905 1.00 0.00 C ATOM 902 O TRP A 54 14.447 9.574 -7.886 1.00 0.00 O ATOM 903 CB TRP A 54 14.287 7.638 -10.229 1.00 0.00 C ATOM 904 CG TRP A 54 15.479 7.005 -9.566 1.00 0.00 C ATOM 905 CD1 TRP A 54 16.485 7.628 -8.881 1.00 0.00 C ATOM 906 CD2 TRP A 54 15.783 5.603 -9.528 1.00 0.00 C ATOM 907 NE1 TRP A 54 17.414 6.707 -8.461 1.00 0.00 N ATOM 908 CE2 TRP A 54 16.996 5.457 -8.829 1.00 0.00 C ATOM 909 CE3 TRP A 54 15.148 4.461 -10.024 1.00 0.00 C ATOM 910 CZ2 TRP A 54 17.586 4.213 -8.614 1.00 0.00 C ATOM 911 CZ3 TRP A 54 15.733 3.228 -9.807 1.00 0.00 C ATOM 912 CH2 TRP A 54 16.941 3.112 -9.107 1.00 0.00 C ATOM 0 H TRP A 54 16.230 9.763 -9.733 1.00 0.00 H new ATOM 0 HA TRP A 54 13.625 9.510 -11.044 1.00 0.00 H new ATOM 0 HB2 TRP A 54 13.385 7.297 -9.721 1.00 0.00 H new ATOM 0 HB3 TRP A 54 14.230 7.279 -11.257 1.00 0.00 H new ATOM 0 HD1 TRP A 54 16.541 8.691 -8.697 1.00 0.00 H new ATOM 0 HE1 TRP A 54 18.275 6.920 -7.957 1.00 0.00 H new ATOM 0 HE3 TRP A 54 14.218 4.541 -10.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 18.519 4.121 -8.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 15.251 2.338 -10.184 1.00 0.00 H new ATOM 0 HH2 TRP A 54 17.372 2.134 -8.953 1.00 0.00 H new ATOM 923 N LYS A 55 12.574 10.266 -8.911 1.00 0.00 N ATOM 924 CA LYS A 55 11.962 10.795 -7.691 1.00 0.00 C ATOM 925 C LYS A 55 10.776 9.980 -7.262 1.00 0.00 C ATOM 926 O LYS A 55 10.137 9.284 -8.050 1.00 0.00 O ATOM 927 CB LYS A 55 11.509 12.242 -7.789 1.00 0.00 C ATOM 928 CG LYS A 55 11.505 12.766 -9.201 1.00 0.00 C ATOM 929 CD LYS A 55 11.479 14.286 -9.241 1.00 0.00 C ATOM 930 CE LYS A 55 12.290 14.825 -10.407 1.00 0.00 C ATOM 931 NZ LYS A 55 11.623 14.568 -11.713 1.00 0.00 N ATOM 0 H LYS A 55 12.001 10.373 -9.748 1.00 0.00 H new ATOM 0 HA LYS A 55 12.765 10.737 -6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.506 12.331 -7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.164 12.864 -7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.389 12.404 -9.725 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.637 12.374 -9.731 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.448 14.632 -9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.875 14.683 -8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.439 15.897 -10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.277 14.363 -10.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.208 14.951 -12.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.503 13.544 -11.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.691 15.030 -11.724 1.00 0.00 H new ATOM 945 N MET A 56 10.498 10.102 -5.991 1.00 0.00 N ATOM 946 CA MET A 56 9.381 9.409 -5.376 1.00 0.00 C ATOM 947 C MET A 56 8.078 9.886 -6.019 1.00 0.00 C ATOM 948 O MET A 56 8.095 10.799 -6.845 1.00 0.00 O ATOM 949 CB MET A 56 9.318 9.755 -3.896 1.00 0.00 C ATOM 950 CG MET A 56 9.956 11.084 -3.525 1.00 0.00 C ATOM 951 SD MET A 56 9.296 12.455 -4.496 1.00 0.00 S ATOM 952 CE MET A 56 9.377 13.787 -3.301 1.00 0.00 C ATOM 0 H MET A 56 11.035 10.683 -5.347 1.00 0.00 H new ATOM 0 HA MET A 56 9.512 8.335 -5.512 1.00 0.00 H new ATOM 0 HB2 MET A 56 8.273 9.770 -3.585 1.00 0.00 H new ATOM 0 HB3 MET A 56 9.808 8.962 -3.331 1.00 0.00 H new ATOM 0 HG2 MET A 56 9.792 11.280 -2.465 1.00 0.00 H new ATOM 0 HG3 MET A 56 11.034 11.021 -3.675 1.00 0.00 H new ATOM 0 HE1 MET A 56 8.370 14.039 -2.968 1.00 0.00 H new ATOM 0 HE2 MET A 56 9.974 13.472 -2.445 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.836 14.662 -3.762 1.00 0.00 H new ATOM 962 N GLY A 57 6.947 9.292 -5.637 1.00 0.00 N ATOM 963 CA GLY A 57 5.687 9.717 -6.198 1.00 0.00 C ATOM 964 C GLY A 57 4.501 9.300 -5.358 1.00 0.00 C ATOM 965 O GLY A 57 3.356 9.492 -5.768 1.00 0.00 O ATOM 0 H GLY A 57 6.887 8.534 -4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.689 10.802 -6.303 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.581 9.300 -7.200 1.00 0.00 H new ATOM 969 N ILE A 58 4.757 8.728 -4.176 1.00 0.00 N ATOM 970 CA ILE A 58 3.678 8.305 -3.309 1.00 0.00 C ATOM 971 C ILE A 58 2.812 7.345 -4.068 1.00 0.00 C ATOM 972 O ILE A 58 1.889 7.758 -4.771 1.00 0.00 O ATOM 973 CB ILE A 58 2.824 9.499 -2.910 1.00 0.00 C ATOM 974 CG1 ILE A 58 3.642 10.507 -2.093 1.00 0.00 C ATOM 975 CG2 ILE A 58 1.573 9.058 -2.154 1.00 0.00 C ATOM 976 CD1 ILE A 58 3.699 10.199 -0.608 1.00 0.00 C ATOM 0 H ILE A 58 5.693 8.554 -3.811 1.00 0.00 H new ATOM 0 HA ILE A 58 4.095 7.842 -2.415 1.00 0.00 H new ATOM 0 HB ILE A 58 2.496 9.996 -3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.658 10.538 -2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.217 11.501 -2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.984 9.934 -1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.977 8.402 -2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.864 8.523 -1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.296 10.958 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.689 10.198 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.153 9.220 -0.457 1.00 0.00 H new ATOM 988 N ASN A 59 3.129 6.079 -3.986 1.00 0.00 N ATOM 989 CA ASN A 59 2.373 5.129 -4.742 1.00 0.00 C ATOM 990 C ASN A 59 0.916 5.079 -4.281 1.00 0.00 C ATOM 991 O ASN A 59 0.612 5.347 -3.119 1.00 0.00 O ATOM 992 CB ASN A 59 3.011 3.741 -4.690 1.00 0.00 C ATOM 993 CG ASN A 59 4.503 3.779 -4.957 1.00 0.00 C ATOM 994 OD1 ASN A 59 5.224 4.608 -4.401 1.00 0.00 O ATOM 995 ND2 ASN A 59 4.974 2.880 -5.813 1.00 0.00 N ATOM 0 H ASN A 59 3.884 5.694 -3.419 1.00 0.00 H new ATOM 0 HA ASN A 59 2.381 5.461 -5.780 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.831 3.298 -3.710 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.530 3.095 -5.425 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.970 2.858 -6.033 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.340 2.211 -6.251 1.00 0.00 H new ATOM 1002 N HIS A 60 0.018 4.744 -5.208 1.00 0.00 N ATOM 1003 CA HIS A 60 -1.412 4.668 -4.909 1.00 0.00 C ATOM 1004 C HIS A 60 -1.684 3.780 -3.698 1.00 0.00 C ATOM 1005 O HIS A 60 -2.314 4.202 -2.714 1.00 0.00 O ATOM 1006 CB HIS A 60 -2.181 4.146 -6.123 1.00 0.00 C ATOM 1007 CG HIS A 60 -1.570 2.929 -6.749 1.00 0.00 C ATOM 1008 ND1 HIS A 60 -0.506 2.985 -7.623 1.00 0.00 N ATOM 1009 CD2 HIS A 60 -1.883 1.617 -6.622 1.00 0.00 C ATOM 1010 CE1 HIS A 60 -0.191 1.761 -8.008 1.00 0.00 C ATOM 1011 NE2 HIS A 60 -1.010 0.914 -7.414 1.00 0.00 N ATOM 0 H HIS A 60 0.257 4.521 -6.174 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.755 5.675 -4.672 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.203 3.914 -5.822 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.241 4.937 -6.871 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.672 1.202 -6.012 1.00 0.00 H new ATOM 0 HE1 HIS A 60 0.602 1.498 -8.693 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -0.996 -0.100 -7.525 1.00 0.00 H new ATOM 1020 N LEU A 61 -1.212 2.544 -3.745 1.00 0.00 N ATOM 1021 CA LEU A 61 -1.439 1.664 -2.622 1.00 0.00 C ATOM 1022 C LEU A 61 -0.664 2.111 -1.421 1.00 0.00 C ATOM 1023 O LEU A 61 -0.822 1.525 -0.365 1.00 0.00 O ATOM 1024 CB LEU A 61 -1.101 0.198 -2.903 1.00 0.00 C ATOM 1025 CG LEU A 61 0.382 -0.205 -3.011 1.00 0.00 C ATOM 1026 CD1 LEU A 61 0.854 -0.147 -4.454 1.00 0.00 C ATOM 1027 CD2 LEU A 61 1.300 0.620 -2.116 1.00 0.00 C ATOM 0 H LEU A 61 -0.688 2.142 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.511 1.724 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.552 -0.404 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.590 -0.082 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 61 0.443 -1.233 -2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.904 -0.436 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.260 -0.832 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.738 0.868 -4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.329 0.284 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.226 1.672 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.002 0.495 -1.075 1.00 0.00 H new ATOM 1039 N ALA A 62 0.187 3.134 -1.554 1.00 0.00 N ATOM 1040 CA ALA A 62 0.958 3.560 -0.409 1.00 0.00 C ATOM 1041 C ALA A 62 0.052 4.002 0.708 1.00 0.00 C ATOM 1042 O ALA A 62 0.514 4.348 1.786 1.00 0.00 O ATOM 1043 CB ALA A 62 1.963 4.634 -0.712 1.00 0.00 C ATOM 0 H ALA A 62 0.348 3.658 -2.414 1.00 0.00 H new ATOM 0 HA ALA A 62 1.530 2.685 -0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.500 4.898 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.670 4.271 -1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.449 5.514 -1.098 1.00 0.00 H new ATOM 1049 N ASP A 63 -1.246 3.925 0.474 1.00 0.00 N ATOM 1050 CA ASP A 63 -2.207 4.249 1.476 1.00 0.00 C ATOM 1051 C ASP A 63 -3.001 3.016 1.719 1.00 0.00 C ATOM 1052 O ASP A 63 -3.477 2.795 2.810 1.00 0.00 O ATOM 1053 CB ASP A 63 -3.078 5.398 1.007 1.00 0.00 C ATOM 1054 CG ASP A 63 -3.771 6.157 2.140 1.00 0.00 C ATOM 1055 OD1 ASP A 63 -3.103 6.434 3.158 1.00 0.00 O ATOM 1056 OD2 ASP A 63 -4.988 6.478 2.005 1.00 0.00 O ATOM 0 H ASP A 63 -1.648 3.636 -0.418 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.733 4.575 2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.465 6.096 0.438 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.836 5.011 0.326 1.00 0.00 H new ATOM 1061 N LEU A 64 -3.078 2.173 0.701 1.00 0.00 N ATOM 1062 CA LEU A 64 -3.758 0.918 0.851 1.00 0.00 C ATOM 1063 C LEU A 64 -2.971 -0.205 0.215 1.00 0.00 C ATOM 1064 O LEU A 64 -3.086 -0.499 -0.961 1.00 0.00 O ATOM 1065 CB LEU A 64 -5.106 0.980 0.212 1.00 0.00 C ATOM 1066 CG LEU A 64 -5.047 1.376 -1.261 1.00 0.00 C ATOM 1067 CD1 LEU A 64 -4.954 0.164 -2.152 1.00 0.00 C ATOM 1068 CD2 LEU A 64 -6.226 2.249 -1.651 1.00 0.00 C ATOM 0 H LEU A 64 -2.680 2.341 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.861 0.724 1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.591 0.008 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.726 1.697 0.751 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.140 1.964 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.914 0.481 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.053 -0.398 -1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.828 -0.468 -1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.151 2.512 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.155 1.705 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.220 3.158 -1.050 1.00 0.00 H new ATOM 1080 N THR A 65 -2.197 -0.840 1.028 1.00 0.00 N ATOM 1081 CA THR A 65 -1.383 -1.975 0.602 1.00 0.00 C ATOM 1082 C THR A 65 -2.008 -3.241 1.155 1.00 0.00 C ATOM 1083 O THR A 65 -2.999 -3.153 1.864 1.00 0.00 O ATOM 1084 CB THR A 65 0.065 -1.883 1.108 1.00 0.00 C ATOM 1085 OG1 THR A 65 0.183 -0.952 2.143 1.00 0.00 O ATOM 1086 CG2 THR A 65 1.064 -1.522 0.036 1.00 0.00 C ATOM 0 H THR A 65 -2.096 -0.602 2.015 1.00 0.00 H new ATOM 0 HA THR A 65 -1.353 -1.977 -0.488 1.00 0.00 H new ATOM 0 HB THR A 65 0.298 -2.887 1.463 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.926 -1.207 2.729 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.063 -1.476 0.470 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.044 -2.278 -0.749 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.808 -0.551 -0.388 1.00 0.00 H new ATOM 1094 N PRO A 66 -1.414 -4.431 0.919 1.00 0.00 N ATOM 1095 CA PRO A 66 -1.898 -5.695 1.493 1.00 0.00 C ATOM 1096 C PRO A 66 -2.469 -5.470 2.887 1.00 0.00 C ATOM 1097 O PRO A 66 -3.409 -6.146 3.305 1.00 0.00 O ATOM 1098 CB PRO A 66 -0.604 -6.531 1.568 1.00 0.00 C ATOM 1099 CG PRO A 66 0.463 -5.546 1.220 1.00 0.00 C ATOM 1100 CD PRO A 66 -0.182 -4.685 0.193 1.00 0.00 C ATOM 0 HA PRO A 66 -2.696 -6.163 0.916 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.454 -6.952 2.562 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.624 -7.366 0.868 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.775 -4.968 2.090 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.353 -6.039 0.829 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.383 -3.778 -0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.341 -5.196 -0.757 1.00 0.00 H new ATOM 1108 N GLU A 67 -1.919 -4.469 3.582 1.00 0.00 N ATOM 1109 CA GLU A 67 -2.409 -4.109 4.905 1.00 0.00 C ATOM 1110 C GLU A 67 -3.880 -3.821 4.774 1.00 0.00 C ATOM 1111 O GLU A 67 -4.740 -4.429 5.408 1.00 0.00 O ATOM 1112 CB GLU A 67 -1.765 -2.781 5.364 1.00 0.00 C ATOM 1113 CG GLU A 67 -0.431 -2.451 4.724 1.00 0.00 C ATOM 1114 CD GLU A 67 0.526 -3.630 4.690 1.00 0.00 C ATOM 1115 OE1 GLU A 67 0.400 -4.521 5.556 1.00 0.00 O ATOM 1116 OE2 GLU A 67 1.399 -3.661 3.797 1.00 0.00 O ATOM 0 H GLU A 67 -1.140 -3.901 3.249 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.184 -4.914 5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.460 -1.968 5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.632 -2.816 6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.601 -2.100 3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.033 -1.630 5.271 1.00 0.00 H new ATOM 1123 N GLU A 68 -4.114 -2.895 3.872 1.00 0.00 N ATOM 1124 CA GLU A 68 -5.437 -2.460 3.503 1.00 0.00 C ATOM 1125 C GLU A 68 -6.097 -3.471 2.578 1.00 0.00 C ATOM 1126 O GLU A 68 -7.238 -3.878 2.765 1.00 0.00 O ATOM 1127 CB GLU A 68 -5.338 -1.109 2.820 1.00 0.00 C ATOM 1128 CG GLU A 68 -6.673 -0.595 2.338 1.00 0.00 C ATOM 1129 CD GLU A 68 -7.069 -1.231 1.025 1.00 0.00 C ATOM 1130 OE1 GLU A 68 -6.152 -1.522 0.225 1.00 0.00 O ATOM 1131 OE2 GLU A 68 -8.278 -1.440 0.800 1.00 0.00 O ATOM 0 H GLU A 68 -3.371 -2.414 3.365 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.051 -2.375 4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.906 -0.388 3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.656 -1.185 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.436 -0.801 3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.626 0.488 2.220 1.00 0.00 H new ATOM 1138 N PHE A 69 -5.337 -3.823 1.549 1.00 0.00 N ATOM 1139 CA PHE A 69 -5.760 -4.740 0.505 1.00 0.00 C ATOM 1140 C PHE A 69 -6.286 -6.059 1.073 1.00 0.00 C ATOM 1141 O PHE A 69 -7.360 -6.526 0.687 1.00 0.00 O ATOM 1142 CB PHE A 69 -4.562 -5.000 -0.421 1.00 0.00 C ATOM 1143 CG PHE A 69 -4.522 -4.137 -1.657 1.00 0.00 C ATOM 1144 CD1 PHE A 69 -5.394 -4.390 -2.703 1.00 0.00 C ATOM 1145 CD2 PHE A 69 -3.604 -3.084 -1.789 1.00 0.00 C ATOM 1146 CE1 PHE A 69 -5.365 -3.625 -3.853 1.00 0.00 C ATOM 1147 CE2 PHE A 69 -3.581 -2.321 -2.941 1.00 0.00 C ATOM 1148 CZ PHE A 69 -4.458 -2.592 -3.972 1.00 0.00 C ATOM 0 H PHE A 69 -4.389 -3.470 1.416 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.583 -4.287 -0.047 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.643 -4.845 0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.576 -6.047 -0.725 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.107 -5.197 -2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.913 -2.869 -0.987 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.052 -3.836 -4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.874 -1.510 -3.035 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.434 -1.995 -4.872 1.00 0.00 H new ATOM 1158 N ALA A 70 -5.524 -6.662 1.978 1.00 0.00 N ATOM 1159 CA ALA A 70 -5.909 -7.934 2.580 1.00 0.00 C ATOM 1160 C ALA A 70 -6.897 -7.760 3.734 1.00 0.00 C ATOM 1161 O ALA A 70 -7.591 -8.707 4.107 1.00 0.00 O ATOM 1162 CB ALA A 70 -4.672 -8.677 3.060 1.00 0.00 C ATOM 0 H ALA A 70 -4.635 -6.290 2.312 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.414 -8.516 1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.968 -9.625 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.010 -8.866 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.150 -8.073 3.802 1.00 0.00 H new ATOM 1168 N GLN A 71 -6.952 -6.564 4.308 1.00 0.00 N ATOM 1169 CA GLN A 71 -7.853 -6.303 5.430 1.00 0.00 C ATOM 1170 C GLN A 71 -9.092 -5.515 5.003 1.00 0.00 C ATOM 1171 O GLN A 71 -10.011 -5.318 5.798 1.00 0.00 O ATOM 1172 CB GLN A 71 -7.112 -5.549 6.535 1.00 0.00 C ATOM 1173 CG GLN A 71 -7.623 -5.861 7.932 1.00 0.00 C ATOM 1174 CD GLN A 71 -6.822 -6.955 8.612 1.00 0.00 C ATOM 1175 OE1 GLN A 71 -5.609 -6.836 8.785 1.00 0.00 O ATOM 1176 NE2 GLN A 71 -7.500 -8.029 9.000 1.00 0.00 N ATOM 0 H GLN A 71 -6.389 -5.764 4.020 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.191 -7.268 5.807 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.051 -5.794 6.482 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.201 -4.478 6.355 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.586 -4.957 8.539 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.669 -6.163 7.874 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.505 -8.084 8.836 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.016 -8.798 9.462 1.00 0.00 H new ATOM 1185 N ARG A 72 -9.123 -5.078 3.748 1.00 0.00 N ATOM 1186 CA ARG A 72 -10.261 -4.332 3.231 1.00 0.00 C ATOM 1187 C ARG A 72 -11.292 -5.296 2.677 1.00 0.00 C ATOM 1188 O ARG A 72 -12.498 -5.058 2.761 1.00 0.00 O ATOM 1189 CB ARG A 72 -9.819 -3.339 2.152 1.00 0.00 C ATOM 1190 CG ARG A 72 -9.250 -4.000 0.904 1.00 0.00 C ATOM 1191 CD ARG A 72 -10.087 -3.685 -0.326 1.00 0.00 C ATOM 1192 NE ARG A 72 -9.553 -4.316 -1.529 1.00 0.00 N ATOM 1193 CZ ARG A 72 -10.256 -4.498 -2.645 1.00 0.00 C ATOM 1194 NH1 ARG A 72 -11.521 -4.102 -2.712 1.00 0.00 N ATOM 1195 NH2 ARG A 72 -9.693 -5.078 -3.696 1.00 0.00 N ATOM 0 H ARG A 72 -8.374 -5.228 3.073 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.706 -3.762 4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.672 -2.722 1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.068 -2.671 2.572 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.227 -3.660 0.746 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.208 -5.079 1.050 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.111 -4.023 -0.164 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.127 -2.605 -0.470 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.585 -4.636 -1.514 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.959 -3.656 -1.906 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.055 -4.244 -3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.721 -5.385 -3.650 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.232 -5.217 -4.551 1.00 0.00 H new