USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=12 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 19 LYS NZ :NH3+ -153:sc= -1.03 (180deg=-1.86!) USER MOD Set 1.2: A 21 TYR OH : rot -99:sc= -0.39 USER MOD Single : A 13 TYR OH : rot 130:sc= -1.03 USER MOD Single : A 14 LYS NZ :NH3+ 139:sc= -0.396 (180deg=-3.41!) 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 20 ASN : amide:sc= -0.84 K(o=-0.84,f=-1.4) USER MOD Single : A 28 MET CE :methyl -115:sc= -1.41 (180deg=-4.38!) USER MOD Single : A 33 TYR OH : rot 15:sc= -1.59! USER MOD Single : A 36 SER OG : rot -113:sc= 0.11 USER MOD Single : A 37 LYS NZ :NH3+ -139:sc= -0.167 (180deg=-1.83!) USER MOD Single : A 43 HIS : no HD1:sc= -0.698 K(o=-0.7,f=-1.6) USER MOD Single : A 44 ASN : amide:sc= -3.55 K(o=-3.5,f=-11!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 56 MET CE :methyl -130:sc= -1.43 (180deg=-3.36!) USER MOD Single : A 59 ASN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 60 HIS : no HD1:sc= -4.99 X(o=-5,f=-5.3!) USER MOD Single : A 65 THR OG1 : rot 150:sc= -15.8! USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 94 N ASP A 7 -5.052 9.745 7.177 1.00 0.00 N ATOM 95 CA ASP A 7 -5.887 10.028 6.011 1.00 0.00 C ATOM 96 C ASP A 7 -5.745 11.489 5.570 1.00 0.00 C ATOM 97 O ASP A 7 -6.052 11.835 4.429 1.00 0.00 O ATOM 98 CB ASP A 7 -7.352 9.719 6.326 1.00 0.00 C ATOM 99 CG ASP A 7 -7.841 10.440 7.566 1.00 0.00 C ATOM 100 OD1 ASP A 7 -8.219 11.625 7.454 1.00 0.00 O ATOM 101 OD2 ASP A 7 -7.846 9.820 8.652 1.00 0.00 O ATOM 0 HA ASP A 7 -5.551 9.391 5.193 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.971 10.004 5.476 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.473 8.644 6.463 1.00 0.00 H new ATOM 106 N GLU A 8 -5.298 12.339 6.493 1.00 0.00 N ATOM 107 CA GLU A 8 -5.131 13.769 6.235 1.00 0.00 C ATOM 108 C GLU A 8 -4.311 14.041 4.978 1.00 0.00 C ATOM 109 O GLU A 8 -4.772 14.713 4.054 1.00 0.00 O ATOM 110 CB GLU A 8 -4.420 14.410 7.425 1.00 0.00 C ATOM 111 CG GLU A 8 -5.126 14.184 8.753 1.00 0.00 C ATOM 112 CD GLU A 8 -5.896 15.403 9.219 1.00 0.00 C ATOM 113 OE1 GLU A 8 -5.267 16.462 9.422 1.00 0.00 O ATOM 114 OE2 GLU A 8 -7.130 15.299 9.380 1.00 0.00 O ATOM 0 H GLU A 8 -5.042 12.057 7.439 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.124 14.193 6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.407 14.012 7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.330 15.482 7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.811 13.341 8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.390 13.913 9.510 1.00 0.00 H new ATOM 121 N GLU A 9 -3.092 13.534 4.945 1.00 0.00 N ATOM 122 CA GLU A 9 -2.229 13.751 3.797 1.00 0.00 C ATOM 123 C GLU A 9 -2.785 13.058 2.559 1.00 0.00 C ATOM 124 O GLU A 9 -2.527 13.482 1.433 1.00 0.00 O ATOM 125 CB GLU A 9 -0.814 13.249 4.091 1.00 0.00 C ATOM 126 CG GLU A 9 0.076 14.290 4.749 1.00 0.00 C ATOM 127 CD GLU A 9 1.128 14.836 3.804 1.00 0.00 C ATOM 128 OE1 GLU A 9 0.888 14.827 2.578 1.00 0.00 O ATOM 129 OE2 GLU A 9 2.193 15.275 4.290 1.00 0.00 O ATOM 0 H GLU A 9 -2.680 12.974 5.692 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.190 14.823 3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.875 12.374 4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.352 12.925 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.540 15.111 5.115 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.566 13.848 5.617 1.00 0.00 H new ATOM 136 N TRP A 10 -3.532 11.977 2.768 1.00 0.00 N ATOM 137 CA TRP A 10 -4.096 11.225 1.655 1.00 0.00 C ATOM 138 C TRP A 10 -5.416 11.789 1.131 1.00 0.00 C ATOM 139 O TRP A 10 -5.769 11.533 -0.017 1.00 0.00 O ATOM 140 CB TRP A 10 -4.286 9.751 1.999 1.00 0.00 C ATOM 141 CG TRP A 10 -4.483 8.925 0.768 1.00 0.00 C ATOM 142 CD1 TRP A 10 -5.672 8.535 0.229 1.00 0.00 C ATOM 143 CD2 TRP A 10 -3.461 8.410 -0.093 1.00 0.00 C ATOM 144 NE1 TRP A 10 -5.455 7.818 -0.921 1.00 0.00 N ATOM 145 CE2 TRP A 10 -4.106 7.720 -1.136 1.00 0.00 C ATOM 146 CE3 TRP A 10 -2.064 8.465 -0.083 1.00 0.00 C ATOM 147 CZ2 TRP A 10 -3.400 7.092 -2.160 1.00 0.00 C ATOM 148 CZ3 TRP A 10 -1.366 7.840 -1.098 1.00 0.00 C ATOM 149 CH2 TRP A 10 -2.035 7.161 -2.124 1.00 0.00 C ATOM 0 H TRP A 10 -3.758 11.606 3.691 1.00 0.00 H new ATOM 0 HA TRP A 10 -3.357 11.325 0.860 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.416 9.389 2.547 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -5.147 9.637 2.657 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.643 8.758 0.646 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -6.181 7.422 -1.519 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.540 8.987 0.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -3.913 6.569 -2.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.287 7.876 -1.100 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -1.461 6.682 -2.903 1.00 0.00 H new ATOM 160 N VAL A 11 -6.154 12.543 1.946 1.00 0.00 N ATOM 161 CA VAL A 11 -7.421 13.083 1.491 1.00 0.00 C ATOM 162 C VAL A 11 -7.160 14.030 0.360 1.00 0.00 C ATOM 163 O VAL A 11 -7.854 14.017 -0.657 1.00 0.00 O ATOM 164 CB VAL A 11 -8.222 13.808 2.603 1.00 0.00 C ATOM 165 CG1 VAL A 11 -7.308 14.566 3.546 1.00 0.00 C ATOM 166 CG2 VAL A 11 -9.244 14.754 1.988 1.00 0.00 C ATOM 0 H VAL A 11 -5.898 12.786 2.903 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.036 12.241 1.172 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.743 13.047 3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.905 15.061 4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.616 13.870 4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.745 15.313 2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.799 15.256 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.731 15.497 1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.935 14.187 1.364 1.00 0.00 H new ATOM 176 N GLU A 12 -6.136 14.843 0.532 1.00 0.00 N ATOM 177 CA GLU A 12 -5.786 15.775 -0.499 1.00 0.00 C ATOM 178 C GLU A 12 -5.365 15.004 -1.743 1.00 0.00 C ATOM 179 O GLU A 12 -5.549 15.451 -2.875 1.00 0.00 O ATOM 180 CB GLU A 12 -4.666 16.709 -0.036 1.00 0.00 C ATOM 181 CG GLU A 12 -4.808 18.133 -0.550 1.00 0.00 C ATOM 182 CD GLU A 12 -5.769 18.961 0.282 1.00 0.00 C ATOM 183 OE1 GLU A 12 -5.697 18.882 1.526 1.00 0.00 O ATOM 184 OE2 GLU A 12 -6.594 19.686 -0.312 1.00 0.00 O ATOM 0 H GLU A 12 -5.546 14.871 1.364 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.652 16.394 -0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.646 16.726 1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.709 16.306 -0.367 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.830 18.613 -0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.155 18.109 -1.583 1.00 0.00 H new ATOM 191 N TYR A 13 -4.801 13.828 -1.494 1.00 0.00 N ATOM 192 CA TYR A 13 -4.333 12.930 -2.547 1.00 0.00 C ATOM 193 C TYR A 13 -5.484 12.190 -3.234 1.00 0.00 C ATOM 194 O TYR A 13 -5.454 11.965 -4.443 1.00 0.00 O ATOM 195 CB TYR A 13 -3.335 11.927 -1.965 1.00 0.00 C ATOM 196 CG TYR A 13 -1.907 12.178 -2.396 1.00 0.00 C ATOM 197 CD1 TYR A 13 -1.605 12.496 -3.714 1.00 0.00 C ATOM 198 CD2 TYR A 13 -0.863 12.099 -1.484 1.00 0.00 C ATOM 199 CE1 TYR A 13 -0.302 12.727 -4.112 1.00 0.00 C ATOM 200 CE2 TYR A 13 0.444 12.329 -1.874 1.00 0.00 C ATOM 201 CZ TYR A 13 0.718 12.643 -3.189 1.00 0.00 C ATOM 202 OH TYR A 13 2.017 12.873 -3.580 1.00 0.00 O ATOM 0 H TYR A 13 -4.654 13.467 -0.551 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.844 13.540 -3.307 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.389 11.962 -0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.626 10.921 -2.266 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.402 12.564 -4.440 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.075 11.854 -0.454 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.084 12.972 -5.141 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.245 12.263 -1.153 1.00 0.00 H new ATOM 0 HH TYR A 13 2.433 13.517 -2.970 1.00 0.00 H new ATOM 212 N LYS A 14 -6.481 11.785 -2.448 1.00 0.00 N ATOM 213 CA LYS A 14 -7.625 11.033 -2.966 1.00 0.00 C ATOM 214 C LYS A 14 -8.245 11.704 -4.192 1.00 0.00 C ATOM 215 O LYS A 14 -8.700 11.026 -5.114 1.00 0.00 O ATOM 216 CB LYS A 14 -8.698 10.891 -1.880 1.00 0.00 C ATOM 217 CG LYS A 14 -8.298 9.998 -0.711 1.00 0.00 C ATOM 218 CD LYS A 14 -9.220 10.203 0.480 1.00 0.00 C ATOM 219 CE LYS A 14 -8.512 9.908 1.793 1.00 0.00 C ATOM 220 NZ LYS A 14 -9.382 10.187 2.968 1.00 0.00 N ATOM 0 H LYS A 14 -6.520 11.966 -1.445 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.255 10.052 -3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.943 11.882 -1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.605 10.491 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.328 8.954 -1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.270 10.215 -0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.585 11.230 0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.091 9.555 0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.201 8.863 1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.606 10.511 1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.258 9.437 3.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.120 11.104 3.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.376 10.216 2.665 1.00 0.00 H new ATOM 234 N SER A 15 -8.249 13.030 -4.209 1.00 0.00 N ATOM 235 CA SER A 15 -8.792 13.778 -5.321 1.00 0.00 C ATOM 236 C SER A 15 -7.848 13.683 -6.488 1.00 0.00 C ATOM 237 O SER A 15 -8.256 13.552 -7.642 1.00 0.00 O ATOM 238 CB SER A 15 -8.977 15.238 -4.933 1.00 0.00 C ATOM 239 OG SER A 15 -9.561 15.359 -3.648 1.00 0.00 O ATOM 0 H SER A 15 -7.878 13.609 -3.456 1.00 0.00 H new ATOM 0 HA SER A 15 -9.762 13.361 -5.594 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.012 15.745 -4.945 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.608 15.735 -5.670 1.00 0.00 H new ATOM 0 HG SER A 15 -9.666 16.307 -3.425 1.00 0.00 H new ATOM 245 N LYS A 16 -6.569 13.781 -6.164 1.00 0.00 N ATOM 246 CA LYS A 16 -5.537 13.740 -7.165 1.00 0.00 C ATOM 247 C LYS A 16 -5.207 12.313 -7.592 1.00 0.00 C ATOM 248 O LYS A 16 -4.442 12.103 -8.534 1.00 0.00 O ATOM 249 CB LYS A 16 -4.276 14.445 -6.663 1.00 0.00 C ATOM 250 CG LYS A 16 -3.154 14.485 -7.687 1.00 0.00 C ATOM 251 CD LYS A 16 -2.198 15.637 -7.420 1.00 0.00 C ATOM 252 CE LYS A 16 -0.798 15.327 -7.924 1.00 0.00 C ATOM 253 NZ LYS A 16 0.221 16.230 -7.321 1.00 0.00 N ATOM 0 H LYS A 16 -6.228 13.890 -5.209 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.918 14.265 -8.041 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.530 15.465 -6.375 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.920 13.939 -5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.606 13.543 -7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.576 14.585 -8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.569 16.539 -7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.164 15.842 -6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.549 14.292 -7.691 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.773 15.424 -9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.162 15.987 -7.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.002 17.216 -7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.215 16.119 -6.287 1.00 0.00 H new ATOM 267 N PHE A 17 -5.768 11.335 -6.891 1.00 0.00 N ATOM 268 CA PHE A 17 -5.503 9.931 -7.206 1.00 0.00 C ATOM 269 C PHE A 17 -6.728 9.228 -7.792 1.00 0.00 C ATOM 270 O PHE A 17 -6.618 8.122 -8.321 1.00 0.00 O ATOM 271 CB PHE A 17 -5.026 9.193 -5.955 1.00 0.00 C ATOM 272 CG PHE A 17 -3.530 9.098 -5.855 1.00 0.00 C ATOM 273 CD1 PHE A 17 -2.801 8.407 -6.809 1.00 0.00 C ATOM 274 CD2 PHE A 17 -2.852 9.703 -4.810 1.00 0.00 C ATOM 275 CE1 PHE A 17 -1.425 8.319 -6.721 1.00 0.00 C ATOM 276 CE2 PHE A 17 -1.476 9.620 -4.716 1.00 0.00 C ATOM 277 CZ PHE A 17 -0.761 8.926 -5.673 1.00 0.00 C ATOM 0 H PHE A 17 -6.404 11.483 -6.107 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.721 9.911 -7.965 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.411 9.703 -5.072 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.448 8.188 -5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.314 7.931 -7.631 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.406 10.247 -4.059 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.869 7.776 -7.471 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.960 10.097 -3.896 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.315 8.858 -5.602 1.00 0.00 H new ATOM 287 N ASP A 18 -7.893 9.863 -7.693 1.00 0.00 N ATOM 288 CA ASP A 18 -9.130 9.280 -8.215 1.00 0.00 C ATOM 289 C ASP A 18 -9.597 8.101 -7.359 1.00 0.00 C ATOM 290 O ASP A 18 -10.549 7.406 -7.711 1.00 0.00 O ATOM 291 CB ASP A 18 -8.942 8.827 -9.667 1.00 0.00 C ATOM 292 CG ASP A 18 -8.212 9.858 -10.506 1.00 0.00 C ATOM 293 OD1 ASP A 18 -8.883 10.745 -11.075 1.00 0.00 O ATOM 294 OD2 ASP A 18 -6.969 9.779 -10.596 1.00 0.00 O ATOM 0 H ASP A 18 -8.008 10.778 -7.258 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.897 10.053 -8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.385 7.890 -9.683 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.917 8.626 -10.111 1.00 0.00 H new ATOM 299 N LYS A 19 -8.932 7.894 -6.224 1.00 0.00 N ATOM 300 CA LYS A 19 -9.284 6.817 -5.305 1.00 0.00 C ATOM 301 C LYS A 19 -9.463 7.392 -3.909 1.00 0.00 C ATOM 302 O LYS A 19 -8.502 7.503 -3.146 1.00 0.00 O ATOM 303 CB LYS A 19 -8.200 5.737 -5.298 1.00 0.00 C ATOM 304 CG LYS A 19 -7.776 5.290 -6.688 1.00 0.00 C ATOM 305 CD LYS A 19 -6.856 4.082 -6.628 1.00 0.00 C ATOM 306 CE LYS A 19 -5.438 4.478 -6.250 1.00 0.00 C ATOM 307 NZ LYS A 19 -5.133 4.164 -4.827 1.00 0.00 N ATOM 0 H LYS A 19 -8.142 8.463 -5.919 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.216 6.357 -5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.327 6.114 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.564 4.872 -4.743 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.659 5.047 -7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.269 6.110 -7.196 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.241 3.366 -5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.849 3.581 -7.596 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.731 3.957 -6.896 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.301 5.545 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.400 4.814 -4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.995 4.274 -4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.791 3.185 -4.753 1.00 0.00 H new ATOM 321 N ASN A 20 -10.686 7.799 -3.594 1.00 0.00 N ATOM 322 CA ASN A 20 -10.969 8.411 -2.305 1.00 0.00 C ATOM 323 C ASN A 20 -11.498 7.424 -1.273 1.00 0.00 C ATOM 324 O ASN A 20 -12.608 6.904 -1.397 1.00 0.00 O ATOM 325 CB ASN A 20 -11.965 9.558 -2.478 1.00 0.00 C ATOM 326 CG ASN A 20 -13.245 9.116 -3.159 1.00 0.00 C ATOM 327 OD1 ASN A 20 -14.170 8.625 -2.512 1.00 0.00 O ATOM 328 ND2 ASN A 20 -13.304 9.289 -4.475 1.00 0.00 N ATOM 0 H ASN A 20 -11.494 7.716 -4.211 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.019 8.787 -1.925 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.203 9.979 -1.501 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.502 10.353 -3.063 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -14.140 9.011 -4.989 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.513 9.700 -4.971 1.00 0.00 H new ATOM 335 N TYR A 21 -10.706 7.216 -0.227 1.00 0.00 N ATOM 336 CA TYR A 21 -11.090 6.345 0.874 1.00 0.00 C ATOM 337 C TYR A 21 -10.741 7.036 2.196 1.00 0.00 C ATOM 338 O TYR A 21 -9.555 7.286 2.501 1.00 0.00 O ATOM 339 CB TYR A 21 -10.414 4.982 0.759 1.00 0.00 C ATOM 340 CG TYR A 21 -9.031 5.041 0.181 1.00 0.00 C ATOM 341 CD1 TYR A 21 -7.962 5.306 1.003 1.00 0.00 C ATOM 342 CD2 TYR A 21 -8.790 4.828 -1.170 1.00 0.00 C ATOM 343 CE1 TYR A 21 -6.688 5.358 0.513 1.00 0.00 C ATOM 344 CE2 TYR A 21 -7.503 4.881 -1.674 1.00 0.00 C ATOM 345 CZ TYR A 21 -6.454 5.146 -0.818 1.00 0.00 C ATOM 346 OH TYR A 21 -5.167 5.211 -1.289 1.00 0.00 O ATOM 0 H TYR A 21 -9.786 7.644 -0.120 1.00 0.00 H new ATOM 0 HA TYR A 21 -12.165 6.165 0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.366 4.526 1.748 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.030 4.332 0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.132 5.476 2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.616 4.619 -1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.863 5.567 1.178 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.321 4.717 -2.726 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.009 6.092 -1.689 1.00 0.00 H new ATOM 356 N GLU A 22 -11.815 7.374 2.925 1.00 0.00 N ATOM 357 CA GLU A 22 -11.769 8.103 4.199 1.00 0.00 C ATOM 358 C GLU A 22 -11.232 7.299 5.381 1.00 0.00 C ATOM 359 O GLU A 22 -10.866 6.133 5.260 1.00 0.00 O ATOM 360 CB GLU A 22 -13.164 8.628 4.539 1.00 0.00 C ATOM 361 CG GLU A 22 -14.181 7.528 4.802 1.00 0.00 C ATOM 362 CD GLU A 22 -15.015 7.202 3.579 1.00 0.00 C ATOM 363 OE1 GLU A 22 -15.195 8.097 2.726 1.00 0.00 O ATOM 364 OE2 GLU A 22 -15.491 6.052 3.473 1.00 0.00 O ATOM 0 H GLU A 22 -12.765 7.141 2.636 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.060 8.916 4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.098 9.268 5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.519 9.251 3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.661 6.629 5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.839 7.833 5.615 1.00 0.00 H new ATOM 371 N ALA A 23 -11.183 7.989 6.527 1.00 0.00 N ATOM 372 CA ALA A 23 -10.682 7.442 7.787 1.00 0.00 C ATOM 373 C ALA A 23 -11.149 6.014 8.064 1.00 0.00 C ATOM 374 O ALA A 23 -10.359 5.187 8.520 1.00 0.00 O ATOM 375 CB ALA A 23 -11.097 8.348 8.935 1.00 0.00 C ATOM 0 H ALA A 23 -11.496 8.957 6.603 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.596 7.400 7.699 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.723 7.940 9.874 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.681 9.344 8.781 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.184 8.411 8.974 1.00 0.00 H new ATOM 381 N GLU A 24 -12.424 5.717 7.818 1.00 0.00 N ATOM 382 CA GLU A 24 -12.934 4.371 8.088 1.00 0.00 C ATOM 383 C GLU A 24 -12.052 3.318 7.422 1.00 0.00 C ATOM 384 O GLU A 24 -11.499 2.445 8.091 1.00 0.00 O ATOM 385 CB GLU A 24 -14.374 4.239 7.587 1.00 0.00 C ATOM 386 CG GLU A 24 -15.232 3.318 8.440 1.00 0.00 C ATOM 387 CD GLU A 24 -16.024 2.324 7.613 1.00 0.00 C ATOM 388 OE1 GLU A 24 -17.040 2.729 7.011 1.00 0.00 O ATOM 389 OE2 GLU A 24 -15.626 1.141 7.567 1.00 0.00 O ATOM 0 H GLU A 24 -13.110 6.371 7.441 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.917 4.208 9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.833 5.227 7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.361 3.865 6.563 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.593 2.777 9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.920 3.918 9.036 1.00 0.00 H new ATOM 396 N GLU A 25 -11.887 3.436 6.111 1.00 0.00 N ATOM 397 CA GLU A 25 -11.028 2.525 5.363 1.00 0.00 C ATOM 398 C GLU A 25 -9.565 2.876 5.614 1.00 0.00 C ATOM 399 O GLU A 25 -8.693 2.010 5.671 1.00 0.00 O ATOM 400 CB GLU A 25 -11.343 2.604 3.866 1.00 0.00 C ATOM 401 CG GLU A 25 -11.823 1.289 3.276 1.00 0.00 C ATOM 402 CD GLU A 25 -11.768 1.274 1.761 1.00 0.00 C ATOM 403 OE1 GLU A 25 -12.111 2.305 1.144 1.00 0.00 O ATOM 404 OE2 GLU A 25 -11.381 0.232 1.190 1.00 0.00 O ATOM 0 H GLU A 25 -12.337 4.154 5.543 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.213 1.505 5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.106 3.366 3.703 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.450 2.928 3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.211 0.476 3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.847 1.102 3.600 1.00 0.00 H new ATOM 411 N ASP A 26 -9.323 4.178 5.737 1.00 0.00 N ATOM 412 CA ASP A 26 -7.990 4.728 5.953 1.00 0.00 C ATOM 413 C ASP A 26 -7.307 4.179 7.196 1.00 0.00 C ATOM 414 O ASP A 26 -6.089 4.085 7.236 1.00 0.00 O ATOM 415 CB ASP A 26 -8.077 6.239 6.091 1.00 0.00 C ATOM 416 CG ASP A 26 -8.057 6.958 4.760 1.00 0.00 C ATOM 417 OD1 ASP A 26 -7.389 6.465 3.829 1.00 0.00 O ATOM 418 OD2 ASP A 26 -8.702 8.023 4.651 1.00 0.00 O ATOM 0 H ASP A 26 -10.055 4.887 5.689 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.395 4.436 5.087 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.993 6.497 6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.244 6.591 6.700 1.00 0.00 H new ATOM 423 N LEU A 27 -8.080 3.861 8.224 1.00 0.00 N ATOM 424 CA LEU A 27 -7.509 3.380 9.477 1.00 0.00 C ATOM 425 C LEU A 27 -6.483 2.273 9.239 1.00 0.00 C ATOM 426 O LEU A 27 -5.317 2.392 9.639 1.00 0.00 O ATOM 427 CB LEU A 27 -8.639 2.880 10.363 1.00 0.00 C ATOM 428 CG LEU A 27 -8.433 3.124 11.853 1.00 0.00 C ATOM 429 CD1 LEU A 27 -9.669 3.758 12.472 1.00 0.00 C ATOM 430 CD2 LEU A 27 -8.080 1.827 12.566 1.00 0.00 C ATOM 0 H LEU A 27 -9.098 3.926 8.218 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.984 4.200 9.967 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.566 3.363 10.054 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.766 1.810 10.198 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.600 3.817 11.972 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.499 3.923 13.536 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.872 4.712 11.985 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.523 3.094 12.340 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.937 2.023 13.629 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.889 1.108 12.435 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.161 1.419 12.146 1.00 0.00 H new ATOM 442 N MET A 28 -6.894 1.233 8.535 1.00 0.00 N ATOM 443 CA MET A 28 -5.976 0.153 8.204 1.00 0.00 C ATOM 444 C MET A 28 -4.916 0.700 7.258 1.00 0.00 C ATOM 445 O MET A 28 -3.772 0.236 7.222 1.00 0.00 O ATOM 446 CB MET A 28 -6.720 -1.016 7.556 1.00 0.00 C ATOM 447 CG MET A 28 -7.580 -0.613 6.369 1.00 0.00 C ATOM 448 SD MET A 28 -8.361 -2.026 5.566 1.00 0.00 S ATOM 449 CE MET A 28 -9.825 -1.257 4.875 1.00 0.00 C ATOM 0 H MET A 28 -7.844 1.112 8.185 1.00 0.00 H new ATOM 0 HA MET A 28 -5.508 -0.222 9.114 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.994 -1.761 7.231 1.00 0.00 H new ATOM 0 HB3 MET A 28 -7.352 -1.493 8.305 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.351 0.082 6.703 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.965 -0.082 5.643 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.713 -1.670 5.353 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.787 -0.181 5.047 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.867 -1.451 3.803 1.00 0.00 H new ATOM 459 N ARG A 29 -5.318 1.717 6.503 1.00 0.00 N ATOM 460 CA ARG A 29 -4.437 2.369 5.561 1.00 0.00 C ATOM 461 C ARG A 29 -3.442 3.271 6.284 1.00 0.00 C ATOM 462 O ARG A 29 -2.357 3.540 5.780 1.00 0.00 O ATOM 463 CB ARG A 29 -5.244 3.199 4.585 1.00 0.00 C ATOM 464 CG ARG A 29 -5.861 2.406 3.438 1.00 0.00 C ATOM 465 CD ARG A 29 -7.207 2.973 3.005 1.00 0.00 C ATOM 466 NE ARG A 29 -7.580 2.502 1.670 1.00 0.00 N ATOM 467 CZ ARG A 29 -8.386 1.465 1.437 1.00 0.00 C ATOM 468 NH1 ARG A 29 -9.027 0.871 2.437 1.00 0.00 N ATOM 469 NH2 ARG A 29 -8.548 1.016 0.198 1.00 0.00 N ATOM 0 H ARG A 29 -6.261 2.106 6.532 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.888 1.597 5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.041 3.705 5.130 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.601 3.974 4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.178 2.408 2.589 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.987 1.367 3.743 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.974 2.682 3.723 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.163 4.062 3.009 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.199 2.999 0.865 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.905 1.207 3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.641 0.079 2.250 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.056 1.464 -0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.164 0.223 0.019 1.00 0.00 H new ATOM 483 N ARG A 30 -3.813 3.739 7.474 1.00 0.00 N ATOM 484 CA ARG A 30 -2.935 4.603 8.250 1.00 0.00 C ATOM 485 C ARG A 30 -1.575 3.940 8.354 1.00 0.00 C ATOM 486 O ARG A 30 -0.534 4.594 8.291 1.00 0.00 O ATOM 487 CB ARG A 30 -3.505 4.845 9.652 1.00 0.00 C ATOM 488 CG ARG A 30 -4.863 5.526 9.659 1.00 0.00 C ATOM 489 CD ARG A 30 -4.730 7.040 9.640 1.00 0.00 C ATOM 490 NE ARG A 30 -5.952 7.701 10.093 1.00 0.00 N ATOM 491 CZ ARG A 30 -6.416 7.631 11.338 1.00 0.00 C ATOM 492 NH1 ARG A 30 -5.759 6.939 12.261 1.00 0.00 N ATOM 493 NH2 ARG A 30 -7.539 8.257 11.663 1.00 0.00 N ATOM 0 H ARG A 30 -4.709 3.535 7.917 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.848 5.569 7.752 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.587 3.889 10.169 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.801 5.455 10.219 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.439 5.200 8.793 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.419 5.220 10.545 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.898 7.339 10.277 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.492 7.371 8.629 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.481 8.249 9.414 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.894 6.457 12.017 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.120 6.889 13.214 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.047 8.792 10.959 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.895 8.203 12.617 1.00 0.00 H new ATOM 507 N ARG A 31 -1.608 2.620 8.491 1.00 0.00 N ATOM 508 CA ARG A 31 -0.392 1.825 8.579 1.00 0.00 C ATOM 509 C ARG A 31 0.328 1.750 7.229 1.00 0.00 C ATOM 510 O ARG A 31 1.568 1.724 7.175 1.00 0.00 O ATOM 511 CB ARG A 31 -0.716 0.413 9.071 1.00 0.00 C ATOM 512 CG ARG A 31 -1.622 0.385 10.291 1.00 0.00 C ATOM 513 CD ARG A 31 -0.842 0.643 11.569 1.00 0.00 C ATOM 514 NE ARG A 31 -1.704 1.119 12.648 1.00 0.00 N ATOM 515 CZ ARG A 31 -2.131 2.376 12.755 1.00 0.00 C ATOM 516 NH1 ARG A 31 -1.777 3.284 11.854 1.00 0.00 N ATOM 517 NH2 ARG A 31 -2.915 2.724 13.766 1.00 0.00 N ATOM 0 H ARG A 31 -2.469 2.076 8.544 1.00 0.00 H new ATOM 0 HA ARG A 31 0.272 2.314 9.292 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.191 -0.144 8.263 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.215 -0.102 9.308 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.404 1.137 10.182 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.118 -0.584 10.355 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.343 -0.275 11.881 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.062 1.380 11.376 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.996 0.450 13.361 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.175 3.021 11.074 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.107 4.245 11.941 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.190 2.029 14.460 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.243 3.686 13.849 1.00 0.00 H new ATOM 531 N ILE A 32 -0.432 1.747 6.127 1.00 0.00 N ATOM 532 CA ILE A 32 0.189 1.690 4.813 1.00 0.00 C ATOM 533 C ILE A 32 0.653 3.062 4.435 1.00 0.00 C ATOM 534 O ILE A 32 1.669 3.241 3.782 1.00 0.00 O ATOM 535 CB ILE A 32 -0.736 1.069 3.748 1.00 0.00 C ATOM 536 CG1 ILE A 32 -0.502 1.681 2.395 1.00 0.00 C ATOM 537 CG2 ILE A 32 -2.172 1.167 4.125 1.00 0.00 C ATOM 538 CD1 ILE A 32 0.893 1.494 1.921 1.00 0.00 C ATOM 0 H ILE A 32 -1.451 1.783 6.124 1.00 0.00 H new ATOM 0 HA ILE A 32 1.051 1.025 4.861 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.483 0.010 3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.190 1.237 1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.728 2.746 2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.785 0.716 3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.338 0.641 5.065 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.447 2.215 4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.009 1.954 0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.582 1.961 2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.114 0.429 1.850 1.00 0.00 H new ATOM 550 N TYR A 33 -0.088 4.037 4.863 1.00 0.00 N ATOM 551 CA TYR A 33 0.282 5.389 4.583 1.00 0.00 C ATOM 552 C TYR A 33 1.646 5.726 5.188 1.00 0.00 C ATOM 553 O TYR A 33 2.400 6.528 4.631 1.00 0.00 O ATOM 554 CB TYR A 33 -0.754 6.396 5.066 1.00 0.00 C ATOM 555 CG TYR A 33 -0.706 7.674 4.261 1.00 0.00 C ATOM 556 CD1 TYR A 33 0.215 7.815 3.230 1.00 0.00 C ATOM 557 CD2 TYR A 33 -1.574 8.722 4.514 1.00 0.00 C ATOM 558 CE1 TYR A 33 0.267 8.958 2.471 1.00 0.00 C ATOM 559 CE2 TYR A 33 -1.530 9.877 3.756 1.00 0.00 C ATOM 560 CZ TYR A 33 -0.611 9.989 2.730 1.00 0.00 C ATOM 561 OH TYR A 33 -0.562 11.137 1.974 1.00 0.00 O ATOM 0 H TYR A 33 -0.946 3.924 5.403 1.00 0.00 H new ATOM 0 HA TYR A 33 0.338 5.466 3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.749 5.957 4.994 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.580 6.621 6.118 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.904 7.010 3.022 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.295 8.636 5.314 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.992 9.049 1.675 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.211 10.689 3.965 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.032 10.974 1.166 1.00 0.00 H new ATOM 571 N ALA A 34 1.955 5.121 6.333 1.00 0.00 N ATOM 572 CA ALA A 34 3.223 5.382 7.010 1.00 0.00 C ATOM 573 C ALA A 34 4.409 5.124 6.104 1.00 0.00 C ATOM 574 O ALA A 34 5.291 5.972 5.951 1.00 0.00 O ATOM 575 CB ALA A 34 3.329 4.552 8.282 1.00 0.00 C ATOM 0 H ALA A 34 1.350 4.452 6.808 1.00 0.00 H new ATOM 0 HA ALA A 34 3.241 6.439 7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.280 4.759 8.773 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.510 4.809 8.954 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.273 3.493 8.031 1.00 0.00 H new ATOM 581 N GLU A 35 4.413 3.966 5.487 1.00 0.00 N ATOM 582 CA GLU A 35 5.481 3.597 4.565 1.00 0.00 C ATOM 583 C GLU A 35 5.572 4.581 3.402 1.00 0.00 C ATOM 584 O GLU A 35 6.639 4.771 2.824 1.00 0.00 O ATOM 585 CB GLU A 35 5.241 2.206 4.013 1.00 0.00 C ATOM 586 CG GLU A 35 3.792 1.977 3.661 1.00 0.00 C ATOM 587 CD GLU A 35 3.240 0.736 4.334 1.00 0.00 C ATOM 588 OE1 GLU A 35 3.120 0.739 5.577 1.00 0.00 O ATOM 589 OE2 GLU A 35 2.940 -0.244 3.621 1.00 0.00 O ATOM 0 H GLU A 35 3.690 3.256 5.602 1.00 0.00 H new ATOM 0 HA GLU A 35 6.418 3.620 5.122 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.857 2.057 3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.556 1.465 4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.204 2.845 3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.691 1.880 2.580 1.00 0.00 H new ATOM 596 N SER A 36 4.433 5.170 3.033 1.00 0.00 N ATOM 597 CA SER A 36 4.378 6.088 1.895 1.00 0.00 C ATOM 598 C SER A 36 5.476 7.137 1.963 1.00 0.00 C ATOM 599 O SER A 36 6.260 7.272 1.024 1.00 0.00 O ATOM 600 CB SER A 36 3.016 6.781 1.839 1.00 0.00 C ATOM 601 OG SER A 36 2.980 7.915 2.690 1.00 0.00 O ATOM 0 H SER A 36 3.539 5.028 3.504 1.00 0.00 H new ATOM 0 HA SER A 36 4.528 5.496 0.992 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.802 7.085 0.814 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.236 6.079 2.132 1.00 0.00 H new ATOM 0 HG SER A 36 2.358 7.750 3.429 1.00 0.00 H new ATOM 607 N LYS A 37 5.562 7.866 3.065 1.00 0.00 N ATOM 608 CA LYS A 37 6.614 8.869 3.193 1.00 0.00 C ATOM 609 C LYS A 37 7.970 8.189 3.083 1.00 0.00 C ATOM 610 O LYS A 37 8.889 8.709 2.449 1.00 0.00 O ATOM 611 CB LYS A 37 6.534 9.630 4.510 1.00 0.00 C ATOM 612 CG LYS A 37 5.142 9.690 5.123 1.00 0.00 C ATOM 613 CD LYS A 37 4.105 10.174 4.119 1.00 0.00 C ATOM 614 CE LYS A 37 3.946 11.686 4.160 1.00 0.00 C ATOM 615 NZ LYS A 37 2.685 12.132 3.503 1.00 0.00 N ATOM 0 H LYS A 37 4.935 7.788 3.866 1.00 0.00 H new ATOM 0 HA LYS A 37 6.479 9.593 2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.212 9.165 5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.890 10.648 4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.862 8.702 5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.153 10.357 5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.398 9.866 3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.146 9.701 4.330 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.954 12.024 5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.798 12.154 3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.870 12.987 2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.333 11.378 2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.971 12.342 4.229 1.00 0.00 H new ATOM 629 N ALA A 38 8.078 6.999 3.678 1.00 0.00 N ATOM 630 CA ALA A 38 9.316 6.231 3.611 1.00 0.00 C ATOM 631 C ALA A 38 9.757 6.115 2.167 1.00 0.00 C ATOM 632 O ALA A 38 10.947 6.121 1.848 1.00 0.00 O ATOM 633 CB ALA A 38 9.124 4.852 4.227 1.00 0.00 C ATOM 0 H ALA A 38 7.329 6.552 4.206 1.00 0.00 H new ATOM 0 HA ALA A 38 10.090 6.747 4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.058 4.294 4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.830 4.958 5.271 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.346 4.316 3.684 1.00 0.00 H new ATOM 639 N ARG A 39 8.763 6.032 1.305 1.00 0.00 N ATOM 640 CA ARG A 39 8.965 5.938 -0.123 1.00 0.00 C ATOM 641 C ARG A 39 9.438 7.263 -0.686 1.00 0.00 C ATOM 642 O ARG A 39 10.199 7.313 -1.638 1.00 0.00 O ATOM 643 CB ARG A 39 7.667 5.533 -0.782 1.00 0.00 C ATOM 644 CG ARG A 39 6.948 4.434 -0.020 1.00 0.00 C ATOM 645 CD ARG A 39 7.086 3.088 -0.717 1.00 0.00 C ATOM 646 NE ARG A 39 6.230 2.069 -0.115 1.00 0.00 N ATOM 647 CZ ARG A 39 4.926 1.955 -0.359 1.00 0.00 C ATOM 648 NH1 ARG A 39 4.324 2.796 -1.190 1.00 0.00 N ATOM 649 NH2 ARG A 39 4.223 0.996 0.230 1.00 0.00 N ATOM 0 H ARG A 39 7.781 6.028 1.582 1.00 0.00 H new ATOM 0 HA ARG A 39 9.731 5.189 -0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.015 6.403 -0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.869 5.194 -1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.353 4.365 0.990 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.892 4.688 0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.832 3.198 -1.771 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.125 2.761 -0.672 1.00 0.00 H new ATOM 0 HE ARG A 39 6.657 1.405 0.531 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.860 3.534 -1.646 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.325 2.704 -1.373 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.682 0.347 0.869 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.224 0.908 0.044 1.00 0.00 H new ATOM 663 N ILE A 40 8.987 8.351 -0.096 1.00 0.00 N ATOM 664 CA ILE A 40 9.398 9.661 -0.567 1.00 0.00 C ATOM 665 C ILE A 40 10.901 9.785 -0.423 1.00 0.00 C ATOM 666 O ILE A 40 11.585 10.381 -1.251 1.00 0.00 O ATOM 667 CB ILE A 40 8.613 10.759 0.151 1.00 0.00 C ATOM 668 CG1 ILE A 40 7.121 10.593 -0.194 1.00 0.00 C ATOM 669 CG2 ILE A 40 9.114 12.143 -0.241 1.00 0.00 C ATOM 670 CD1 ILE A 40 6.825 9.581 -1.308 1.00 0.00 C ATOM 0 H ILE A 40 8.346 8.358 0.698 1.00 0.00 H new ATOM 0 HA ILE A 40 9.165 9.783 -1.625 1.00 0.00 H new ATOM 0 HB ILE A 40 8.756 10.665 1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.587 10.288 0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.721 11.563 -0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.536 12.902 0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.167 12.238 0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.999 12.281 -1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.750 9.533 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.326 9.892 -2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.189 8.597 -1.012 1.00 0.00 H new ATOM 682 N GLU A 41 11.396 9.126 0.601 1.00 0.00 N ATOM 683 CA GLU A 41 12.824 9.034 0.861 1.00 0.00 C ATOM 684 C GLU A 41 13.456 8.109 -0.188 1.00 0.00 C ATOM 685 O GLU A 41 14.657 8.150 -0.447 1.00 0.00 O ATOM 686 CB GLU A 41 13.084 8.497 2.270 1.00 0.00 C ATOM 687 CG GLU A 41 14.535 8.617 2.710 1.00 0.00 C ATOM 688 CD GLU A 41 15.104 7.305 3.214 1.00 0.00 C ATOM 689 OE1 GLU A 41 14.871 6.266 2.561 1.00 0.00 O ATOM 690 OE2 GLU A 41 15.784 7.316 4.263 1.00 0.00 O ATOM 0 H GLU A 41 10.819 8.634 1.284 1.00 0.00 H new ATOM 0 HA GLU A 41 13.270 10.026 0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.453 9.036 2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.786 7.449 2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.136 8.971 1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.611 9.367 3.497 1.00 0.00 H new ATOM 697 N GLU A 42 12.610 7.221 -0.713 1.00 0.00 N ATOM 698 CA GLU A 42 12.991 6.177 -1.671 1.00 0.00 C ATOM 699 C GLU A 42 13.735 6.670 -2.914 1.00 0.00 C ATOM 700 O GLU A 42 14.900 6.332 -3.130 1.00 0.00 O ATOM 701 CB GLU A 42 11.666 5.593 -2.190 1.00 0.00 C ATOM 702 CG GLU A 42 11.803 4.486 -3.214 1.00 0.00 C ATOM 703 CD GLU A 42 11.066 3.222 -2.815 1.00 0.00 C ATOM 704 OE1 GLU A 42 11.232 2.777 -1.660 1.00 0.00 O ATOM 705 OE2 GLU A 42 10.321 2.678 -3.656 1.00 0.00 O ATOM 0 H GLU A 42 11.617 7.206 -0.480 1.00 0.00 H new ATOM 0 HA GLU A 42 13.658 5.490 -1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.099 5.212 -1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.079 6.400 -2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.422 4.836 -4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.859 4.256 -3.355 1.00 0.00 H new ATOM 712 N HIS A 43 13.052 7.437 -3.741 1.00 0.00 N ATOM 713 CA HIS A 43 13.630 7.927 -4.982 1.00 0.00 C ATOM 714 C HIS A 43 14.483 9.159 -4.776 1.00 0.00 C ATOM 715 O HIS A 43 15.451 9.390 -5.501 1.00 0.00 O ATOM 716 CB HIS A 43 12.515 8.225 -5.965 1.00 0.00 C ATOM 717 CG HIS A 43 11.948 7.001 -6.616 1.00 0.00 C ATOM 718 ND1 HIS A 43 10.779 6.399 -6.200 1.00 0.00 N ATOM 719 CD2 HIS A 43 12.400 6.261 -7.657 1.00 0.00 C ATOM 720 CE1 HIS A 43 10.537 5.344 -6.956 1.00 0.00 C ATOM 721 NE2 HIS A 43 11.503 5.239 -7.848 1.00 0.00 N ATOM 0 H HIS A 43 12.091 7.737 -3.577 1.00 0.00 H new ATOM 0 HA HIS A 43 14.286 7.150 -5.375 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.716 8.754 -5.446 1.00 0.00 H new ATOM 0 HB3 HIS A 43 12.892 8.896 -6.737 1.00 0.00 H new ATOM 0 HD2 HIS A 43 13.298 6.441 -8.230 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.691 4.679 -6.860 1.00 0.00 H new ATOM 0 HE2 HIS A 43 11.572 4.516 -8.564 1.00 0.00 H new ATOM 730 N ASN A 44 14.100 9.962 -3.806 1.00 0.00 N ATOM 731 CA ASN A 44 14.806 11.189 -3.530 1.00 0.00 C ATOM 732 C ASN A 44 16.234 10.923 -3.098 1.00 0.00 C ATOM 733 O ASN A 44 17.113 11.745 -3.332 1.00 0.00 O ATOM 734 CB ASN A 44 14.051 11.998 -2.493 1.00 0.00 C ATOM 735 CG ASN A 44 13.339 13.168 -3.131 1.00 0.00 C ATOM 736 OD1 ASN A 44 12.240 13.020 -3.674 1.00 0.00 O ATOM 737 ND2 ASN A 44 13.983 14.327 -3.105 1.00 0.00 N ATOM 0 H ASN A 44 13.302 9.784 -3.196 1.00 0.00 H new ATOM 0 HA ASN A 44 14.859 11.772 -4.450 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.327 11.360 -1.986 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.744 12.360 -1.734 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.572 15.149 -3.547 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.890 14.396 -2.643 1.00 0.00 H new ATOM 744 N ARG A 45 16.453 9.767 -2.479 1.00 0.00 N ATOM 745 CA ARG A 45 17.784 9.370 -2.030 1.00 0.00 C ATOM 746 C ARG A 45 18.535 8.620 -3.138 1.00 0.00 C ATOM 747 O ARG A 45 19.752 8.449 -3.081 1.00 0.00 O ATOM 748 CB ARG A 45 17.663 8.483 -0.794 1.00 0.00 C ATOM 749 CG ARG A 45 17.607 9.259 0.512 1.00 0.00 C ATOM 750 CD ARG A 45 18.944 9.908 0.833 1.00 0.00 C ATOM 751 NE ARG A 45 18.819 10.941 1.858 1.00 0.00 N ATOM 752 CZ ARG A 45 18.190 12.099 1.672 1.00 0.00 C ATOM 753 NH1 ARG A 45 17.628 12.376 0.502 1.00 0.00 N ATOM 754 NH2 ARG A 45 18.124 12.982 2.658 1.00 0.00 N ATOM 0 H ARG A 45 15.722 9.085 -2.276 1.00 0.00 H new ATOM 0 HA ARG A 45 18.349 10.269 -1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 45 16.764 7.872 -0.882 1.00 0.00 H new ATOM 0 HB3 ARG A 45 18.511 7.799 -0.764 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.835 10.026 0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.323 8.588 1.323 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.645 9.145 1.171 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.361 10.346 -0.074 1.00 0.00 H new ATOM 0 HE ARG A 45 19.239 10.764 2.771 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.677 11.700 -0.260 1.00 0.00 H new ATOM 0 HH12 ARG A 45 17.147 13.265 0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.555 12.774 3.559 1.00 0.00 H new ATOM 0 HH22 ARG A 45 17.642 13.870 2.516 1.00 0.00 H new ATOM 768 N LYS A 46 17.773 8.134 -4.113 1.00 0.00 N ATOM 769 CA LYS A 46 18.300 7.340 -5.228 1.00 0.00 C ATOM 770 C LYS A 46 19.176 8.133 -6.215 1.00 0.00 C ATOM 771 O LYS A 46 20.364 7.839 -6.370 1.00 0.00 O ATOM 772 CB LYS A 46 17.097 6.777 -5.947 1.00 0.00 C ATOM 773 CG LYS A 46 17.010 5.259 -5.917 1.00 0.00 C ATOM 774 CD LYS A 46 15.622 4.769 -6.303 1.00 0.00 C ATOM 775 CE LYS A 46 15.043 3.842 -5.245 1.00 0.00 C ATOM 776 NZ LYS A 46 14.238 2.744 -5.849 1.00 0.00 N ATOM 0 H LYS A 46 16.764 8.279 -4.156 1.00 0.00 H new ATOM 0 HA LYS A 46 18.960 6.571 -4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.193 7.191 -5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 46 17.120 7.109 -6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 46 17.748 4.838 -6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 46 17.259 4.900 -4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.959 5.623 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.672 4.246 -7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.853 3.415 -4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.418 4.417 -4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.861 2.135 -5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.450 3.150 -6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.840 2.180 -6.482 1.00 0.00 H new ATOM 790 N PHE A 47 18.625 9.185 -6.821 1.00 0.00 N ATOM 791 CA PHE A 47 19.413 10.033 -7.712 1.00 0.00 C ATOM 792 C PHE A 47 20.402 10.691 -6.830 1.00 0.00 C ATOM 793 O PHE A 47 21.561 10.908 -7.169 1.00 0.00 O ATOM 794 CB PHE A 47 18.586 11.084 -8.433 1.00 0.00 C ATOM 795 CG PHE A 47 17.839 12.018 -7.537 1.00 0.00 C ATOM 796 CD1 PHE A 47 18.422 13.186 -7.073 1.00 0.00 C ATOM 797 CD2 PHE A 47 16.544 11.731 -7.185 1.00 0.00 C ATOM 798 CE1 PHE A 47 17.711 14.053 -6.266 1.00 0.00 C ATOM 799 CE2 PHE A 47 15.824 12.588 -6.377 1.00 0.00 C ATOM 800 CZ PHE A 47 16.407 13.754 -5.919 1.00 0.00 C ATOM 0 H PHE A 47 17.651 9.467 -6.713 1.00 0.00 H new ATOM 0 HA PHE A 47 19.862 9.432 -8.503 1.00 0.00 H new ATOM 0 HB2 PHE A 47 19.246 11.668 -9.074 1.00 0.00 H new ATOM 0 HB3 PHE A 47 17.872 10.580 -9.085 1.00 0.00 H new ATOM 0 HD1 PHE A 47 19.441 13.421 -7.344 1.00 0.00 H new ATOM 0 HD2 PHE A 47 16.082 10.823 -7.545 1.00 0.00 H new ATOM 0 HE1 PHE A 47 18.172 14.961 -5.908 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.807 12.348 -6.103 1.00 0.00 H new ATOM 0 HZ PHE A 47 15.845 14.430 -5.291 1.00 0.00 H new ATOM 810 N GLU A 48 19.905 10.920 -5.637 1.00 0.00 N ATOM 811 CA GLU A 48 20.668 11.454 -4.569 1.00 0.00 C ATOM 812 C GLU A 48 21.949 10.621 -4.423 1.00 0.00 C ATOM 813 O GLU A 48 22.909 11.024 -3.767 1.00 0.00 O ATOM 814 CB GLU A 48 19.801 11.361 -3.322 1.00 0.00 C ATOM 815 CG GLU A 48 19.508 12.708 -2.680 1.00 0.00 C ATOM 816 CD GLU A 48 20.712 13.287 -1.963 1.00 0.00 C ATOM 817 OE1 GLU A 48 21.646 13.750 -2.650 1.00 0.00 O ATOM 818 OE2 GLU A 48 20.720 13.279 -0.714 1.00 0.00 O ATOM 0 H GLU A 48 18.933 10.730 -5.392 1.00 0.00 H new ATOM 0 HA GLU A 48 20.957 12.491 -4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.858 10.879 -3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 48 20.297 10.721 -2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.176 13.407 -3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.687 12.598 -1.972 1.00 0.00 H new ATOM 825 N LYS A 49 21.930 9.445 -5.073 1.00 0.00 N ATOM 826 CA LYS A 49 23.046 8.518 -5.072 1.00 0.00 C ATOM 827 C LYS A 49 23.835 8.613 -6.369 1.00 0.00 C ATOM 828 O LYS A 49 24.570 7.688 -6.717 1.00 0.00 O ATOM 829 CB LYS A 49 22.536 7.087 -4.880 1.00 0.00 C ATOM 830 CG LYS A 49 23.434 6.235 -3.999 1.00 0.00 C ATOM 831 CD LYS A 49 24.408 5.412 -4.827 1.00 0.00 C ATOM 832 CE LYS A 49 24.751 4.101 -4.141 1.00 0.00 C ATOM 833 NZ LYS A 49 25.082 3.030 -5.122 1.00 0.00 N ATOM 0 H LYS A 49 21.129 9.120 -5.614 1.00 0.00 H new ATOM 0 HA LYS A 49 23.707 8.782 -4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.538 7.121 -4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.440 6.610 -5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 49 23.989 6.877 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 49 22.822 5.571 -3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 49 23.974 5.209 -5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 49 25.320 5.985 -4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 49 25.597 4.253 -3.470 1.00 0.00 H new ATOM 0 HE3 LYS A 49 23.910 3.782 -3.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 25.310 2.152 -4.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 24.266 2.867 -5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 25.901 3.323 -5.692 1.00 0.00 H new ATOM 847 N GLY A 50 23.657 9.713 -7.112 1.00 0.00 N ATOM 848 CA GLY A 50 24.348 9.844 -8.390 1.00 0.00 C ATOM 849 C GLY A 50 24.106 8.598 -9.203 1.00 0.00 C ATOM 850 O GLY A 50 24.963 8.124 -9.950 1.00 0.00 O ATOM 0 H GLY A 50 23.059 10.499 -6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 50 23.986 10.721 -8.927 1.00 0.00 H new ATOM 0 HA3 GLY A 50 25.416 9.988 -8.228 1.00 0.00 H new ATOM 854 N GLU A 51 22.925 8.047 -8.972 1.00 0.00 N ATOM 855 CA GLU A 51 22.483 6.811 -9.571 1.00 0.00 C ATOM 856 C GLU A 51 21.717 7.035 -10.879 1.00 0.00 C ATOM 857 O GLU A 51 22.121 6.563 -11.941 1.00 0.00 O ATOM 858 CB GLU A 51 21.595 6.117 -8.530 1.00 0.00 C ATOM 859 CG GLU A 51 22.092 4.737 -8.130 1.00 0.00 C ATOM 860 CD GLU A 51 21.777 3.680 -9.169 1.00 0.00 C ATOM 861 OE1 GLU A 51 20.700 3.765 -9.796 1.00 0.00 O ATOM 862 OE2 GLU A 51 22.608 2.766 -9.357 1.00 0.00 O ATOM 0 H GLU A 51 22.235 8.462 -8.346 1.00 0.00 H new ATOM 0 HA GLU A 51 23.344 6.198 -9.838 1.00 0.00 H new ATOM 0 HB2 GLU A 51 21.534 6.744 -7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.584 6.029 -8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 51 23.170 4.775 -7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 51 21.640 4.453 -7.180 1.00 0.00 H new ATOM 869 N VAL A 52 20.610 7.754 -10.777 1.00 0.00 N ATOM 870 CA VAL A 52 19.747 8.072 -11.896 1.00 0.00 C ATOM 871 C VAL A 52 18.985 9.268 -11.489 1.00 0.00 C ATOM 872 O VAL A 52 19.042 9.643 -10.331 1.00 0.00 O ATOM 873 CB VAL A 52 18.711 6.952 -12.185 1.00 0.00 C ATOM 874 CG1 VAL A 52 18.973 5.747 -11.312 1.00 0.00 C ATOM 875 CG2 VAL A 52 17.267 7.423 -11.979 1.00 0.00 C ATOM 0 H VAL A 52 20.282 8.140 -9.892 1.00 0.00 H new ATOM 0 HA VAL A 52 20.356 8.207 -12.790 1.00 0.00 H new ATOM 0 HB VAL A 52 18.830 6.682 -13.234 1.00 0.00 H new ATOM 0 HG11 VAL A 52 18.237 4.973 -11.529 1.00 0.00 H new ATOM 0 HG12 VAL A 52 19.973 5.363 -11.513 1.00 0.00 H new ATOM 0 HG13 VAL A 52 18.898 6.034 -10.263 1.00 0.00 H new ATOM 0 HG21 VAL A 52 16.582 6.602 -12.194 1.00 0.00 H new ATOM 0 HG22 VAL A 52 17.133 7.746 -10.947 1.00 0.00 H new ATOM 0 HG23 VAL A 52 17.057 8.256 -12.650 1.00 0.00 H new ATOM 885 N THR A 53 18.183 9.810 -12.358 1.00 0.00 N ATOM 886 CA THR A 53 17.360 10.869 -11.896 1.00 0.00 C ATOM 887 C THR A 53 15.922 10.374 -11.844 1.00 0.00 C ATOM 888 O THR A 53 15.177 10.413 -12.822 1.00 0.00 O ATOM 889 CB THR A 53 17.561 12.064 -12.794 1.00 0.00 C ATOM 890 OG1 THR A 53 16.976 13.229 -12.237 1.00 0.00 O ATOM 891 CG2 THR A 53 17.012 11.880 -14.193 1.00 0.00 C ATOM 0 H THR A 53 18.087 9.549 -13.339 1.00 0.00 H new ATOM 0 HA THR A 53 17.623 11.187 -10.887 1.00 0.00 H new ATOM 0 HB THR A 53 18.643 12.174 -12.871 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.123 13.988 -12.839 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.195 12.782 -14.777 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.506 11.033 -14.669 1.00 0.00 H new ATOM 0 HG23 THR A 53 15.939 11.693 -14.141 1.00 0.00 H new ATOM 899 N TRP A 54 15.563 9.929 -10.646 1.00 0.00 N ATOM 900 CA TRP A 54 14.221 9.425 -10.339 1.00 0.00 C ATOM 901 C TRP A 54 13.760 9.904 -8.963 1.00 0.00 C ATOM 902 O TRP A 54 14.458 9.718 -7.969 1.00 0.00 O ATOM 903 CB TRP A 54 14.155 7.890 -10.398 1.00 0.00 C ATOM 904 CG TRP A 54 15.337 7.174 -9.803 1.00 0.00 C ATOM 905 CD1 TRP A 54 16.379 7.718 -9.105 1.00 0.00 C ATOM 906 CD2 TRP A 54 15.590 5.764 -9.859 1.00 0.00 C ATOM 907 NE1 TRP A 54 17.282 6.739 -8.763 1.00 0.00 N ATOM 908 CE2 TRP A 54 16.810 5.528 -9.198 1.00 0.00 C ATOM 909 CE3 TRP A 54 14.902 4.678 -10.410 1.00 0.00 C ATOM 910 CZ2 TRP A 54 17.358 4.254 -9.076 1.00 0.00 C ATOM 911 CZ3 TRP A 54 15.445 3.413 -10.284 1.00 0.00 C ATOM 912 CH2 TRP A 54 16.662 3.210 -9.621 1.00 0.00 C ATOM 0 H TRP A 54 16.199 9.906 -9.849 1.00 0.00 H new ATOM 0 HA TRP A 54 13.553 9.824 -11.102 1.00 0.00 H new ATOM 0 HB2 TRP A 54 13.254 7.561 -9.881 1.00 0.00 H new ATOM 0 HB3 TRP A 54 14.054 7.587 -11.440 1.00 0.00 H new ATOM 0 HD1 TRP A 54 16.479 8.765 -8.858 1.00 0.00 H new ATOM 0 HE1 TRP A 54 18.160 6.890 -8.266 1.00 0.00 H new ATOM 0 HE3 TRP A 54 13.964 4.825 -10.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 18.299 4.096 -8.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 14.922 2.567 -10.704 1.00 0.00 H new ATOM 0 HH2 TRP A 54 17.059 2.209 -9.538 1.00 0.00 H new ATOM 923 N LYS A 55 12.580 10.509 -8.912 1.00 0.00 N ATOM 924 CA LYS A 55 12.019 11.008 -7.656 1.00 0.00 C ATOM 925 C LYS A 55 10.817 10.218 -7.221 1.00 0.00 C ATOM 926 O LYS A 55 10.137 9.568 -8.015 1.00 0.00 O ATOM 927 CB LYS A 55 11.617 12.474 -7.681 1.00 0.00 C ATOM 928 CG LYS A 55 11.621 13.068 -9.066 1.00 0.00 C ATOM 929 CD LYS A 55 11.652 14.588 -9.028 1.00 0.00 C ATOM 930 CE LYS A 55 12.582 15.153 -10.090 1.00 0.00 C ATOM 931 NZ LYS A 55 13.957 15.374 -9.562 1.00 0.00 N ATOM 0 H LYS A 55 11.988 10.668 -9.728 1.00 0.00 H new ATOM 0 HA LYS A 55 12.841 10.890 -6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.621 12.578 -7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.299 13.042 -7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.487 12.700 -9.617 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.735 12.736 -9.607 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.645 14.977 -9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.978 14.922 -8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.624 14.469 -10.937 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.180 16.096 -10.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.561 15.760 -10.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.921 16.047 -8.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.351 14.470 -9.231 1.00 0.00 H new ATOM 945 N MET A 56 10.576 10.305 -5.940 1.00 0.00 N ATOM 946 CA MET A 56 9.456 9.624 -5.314 1.00 0.00 C ATOM 947 C MET A 56 8.148 10.151 -5.904 1.00 0.00 C ATOM 948 O MET A 56 8.163 11.085 -6.707 1.00 0.00 O ATOM 949 CB MET A 56 9.441 9.926 -3.822 1.00 0.00 C ATOM 950 CG MET A 56 10.158 11.205 -3.423 1.00 0.00 C ATOM 951 SD MET A 56 9.536 12.644 -4.319 1.00 0.00 S ATOM 952 CE MET A 56 7.932 12.857 -3.551 1.00 0.00 C ATOM 0 H MET A 56 11.147 10.849 -5.293 1.00 0.00 H new ATOM 0 HA MET A 56 9.556 8.552 -5.487 1.00 0.00 H new ATOM 0 HB2 MET A 56 8.405 9.988 -3.489 1.00 0.00 H new ATOM 0 HB3 MET A 56 9.897 9.090 -3.292 1.00 0.00 H new ATOM 0 HG2 MET A 56 10.039 11.367 -2.352 1.00 0.00 H new ATOM 0 HG3 MET A 56 11.226 11.095 -3.612 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.168 12.946 -4.323 1.00 0.00 H new ATOM 0 HE2 MET A 56 7.713 11.995 -2.921 1.00 0.00 H new ATOM 0 HE3 MET A 56 7.938 13.760 -2.940 1.00 0.00 H new ATOM 962 N GLY A 57 7.016 9.573 -5.502 1.00 0.00 N ATOM 963 CA GLY A 57 5.749 10.037 -6.009 1.00 0.00 C ATOM 964 C GLY A 57 4.581 9.578 -5.165 1.00 0.00 C ATOM 965 O GLY A 57 3.429 9.788 -5.541 1.00 0.00 O ATOM 0 H GLY A 57 6.961 8.799 -4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.756 11.126 -6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.617 9.679 -7.030 1.00 0.00 H new ATOM 969 N ILE A 58 4.864 8.946 -4.018 1.00 0.00 N ATOM 970 CA ILE A 58 3.805 8.474 -3.151 1.00 0.00 C ATOM 971 C ILE A 58 2.976 7.485 -3.914 1.00 0.00 C ATOM 972 O ILE A 58 2.087 7.872 -4.674 1.00 0.00 O ATOM 973 CB ILE A 58 2.904 9.628 -2.739 1.00 0.00 C ATOM 974 CG1 ILE A 58 3.699 10.702 -1.987 1.00 0.00 C ATOM 975 CG2 ILE A 58 1.718 9.134 -1.914 1.00 0.00 C ATOM 976 CD1 ILE A 58 3.811 10.460 -0.494 1.00 0.00 C ATOM 0 H ILE A 58 5.808 8.757 -3.682 1.00 0.00 H new ATOM 0 HA ILE A 58 4.245 8.022 -2.262 1.00 0.00 H new ATOM 0 HB ILE A 58 2.505 10.084 -3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.702 10.760 -2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.227 11.670 -2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.092 9.981 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.132 8.429 -2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.082 8.639 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.388 11.264 -0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.814 10.433 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.312 9.508 -0.316 1.00 0.00 H new ATOM 988 N ASN A 59 3.284 6.222 -3.769 1.00 0.00 N ATOM 989 CA ASN A 59 2.560 5.243 -4.522 1.00 0.00 C ATOM 990 C ASN A 59 1.093 5.179 -4.096 1.00 0.00 C ATOM 991 O ASN A 59 0.755 5.469 -2.948 1.00 0.00 O ATOM 992 CB ASN A 59 3.218 3.868 -4.423 1.00 0.00 C ATOM 993 CG ASN A 59 4.531 3.801 -5.179 1.00 0.00 C ATOM 994 OD1 ASN A 59 4.586 3.315 -6.309 1.00 0.00 O ATOM 995 ND2 ASN A 59 5.597 4.291 -4.557 1.00 0.00 N ATOM 0 H ASN A 59 4.011 5.858 -3.153 1.00 0.00 H new ATOM 0 HA ASN A 59 2.588 5.553 -5.567 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.393 3.626 -3.375 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.537 3.113 -4.815 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.508 4.274 -5.016 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.505 4.684 -3.620 1.00 0.00 H new ATOM 1002 N HIS A 60 0.229 4.804 -5.036 1.00 0.00 N ATOM 1003 CA HIS A 60 -1.208 4.707 -4.778 1.00 0.00 C ATOM 1004 C HIS A 60 -1.493 3.841 -3.554 1.00 0.00 C ATOM 1005 O HIS A 60 -2.173 4.264 -2.605 1.00 0.00 O ATOM 1006 CB HIS A 60 -1.927 4.123 -5.997 1.00 0.00 C ATOM 1007 CG HIS A 60 -1.678 4.878 -7.267 1.00 0.00 C ATOM 1008 ND1 HIS A 60 -2.617 5.704 -7.847 1.00 0.00 N ATOM 1009 CD2 HIS A 60 -0.590 4.924 -8.073 1.00 0.00 C ATOM 1010 CE1 HIS A 60 -2.119 6.223 -8.955 1.00 0.00 C ATOM 1011 NE2 HIS A 60 -0.892 5.768 -9.114 1.00 0.00 N ATOM 0 H HIS A 60 0.500 4.561 -5.989 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.579 5.713 -4.584 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.611 3.089 -6.132 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.999 4.105 -5.800 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.340 4.396 -7.925 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.631 6.905 -9.618 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -0.268 6.004 -9.885 1.00 0.00 H new ATOM 1020 N LEU A 61 -0.982 2.621 -3.560 1.00 0.00 N ATOM 1021 CA LEU A 61 -1.222 1.753 -2.432 1.00 0.00 C ATOM 1022 C LEU A 61 -0.508 2.237 -1.206 1.00 0.00 C ATOM 1023 O LEU A 61 -0.696 1.658 -0.151 1.00 0.00 O ATOM 1024 CB LEU A 61 -0.829 0.296 -2.685 1.00 0.00 C ATOM 1025 CG LEU A 61 0.668 -0.053 -2.754 1.00 0.00 C ATOM 1026 CD1 LEU A 61 1.180 0.046 -4.181 1.00 0.00 C ATOM 1027 CD2 LEU A 61 1.528 0.791 -1.818 1.00 0.00 C ATOM 0 H LEU A 61 -0.417 2.223 -4.310 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.300 1.787 -2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.276 -0.311 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.286 -0.014 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 61 0.756 -1.084 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.240 -0.205 -4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.628 -0.648 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.039 1.063 -4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.572 0.494 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.424 1.844 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.203 0.639 -0.789 1.00 0.00 H new ATOM 1039 N ALA A 62 0.321 3.282 -1.312 1.00 0.00 N ATOM 1040 CA ALA A 62 1.031 3.739 -0.135 1.00 0.00 C ATOM 1041 C ALA A 62 0.071 4.154 0.947 1.00 0.00 C ATOM 1042 O ALA A 62 0.486 4.528 2.036 1.00 0.00 O ATOM 1043 CB ALA A 62 2.012 4.845 -0.392 1.00 0.00 C ATOM 0 H ALA A 62 0.506 3.803 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 62 1.616 2.879 0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.498 5.125 0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.764 4.506 -1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.488 5.709 -0.801 1.00 0.00 H new ATOM 1049 N ASP A 63 -1.213 4.027 0.667 1.00 0.00 N ATOM 1050 CA ASP A 63 -2.223 4.323 1.627 1.00 0.00 C ATOM 1051 C ASP A 63 -2.990 3.067 1.830 1.00 0.00 C ATOM 1052 O ASP A 63 -3.485 2.815 2.905 1.00 0.00 O ATOM 1053 CB ASP A 63 -3.111 5.442 1.121 1.00 0.00 C ATOM 1054 CG ASP A 63 -3.820 6.225 2.227 1.00 0.00 C ATOM 1055 OD1 ASP A 63 -3.182 6.482 3.269 1.00 0.00 O ATOM 1056 OD2 ASP A 63 -5.023 6.581 2.047 1.00 0.00 O ATOM 0 H ASP A 63 -1.570 3.715 -0.236 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.797 4.664 2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.507 6.132 0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.861 5.022 0.450 1.00 0.00 H new ATOM 1061 N LEU A 64 -3.023 2.242 0.796 1.00 0.00 N ATOM 1062 CA LEU A 64 -3.675 0.971 0.910 1.00 0.00 C ATOM 1063 C LEU A 64 -2.832 -0.128 0.301 1.00 0.00 C ATOM 1064 O LEU A 64 -2.894 -0.421 -0.880 1.00 0.00 O ATOM 1065 CB LEU A 64 -4.994 1.008 0.212 1.00 0.00 C ATOM 1066 CG LEU A 64 -4.879 1.429 -1.250 1.00 0.00 C ATOM 1067 CD1 LEU A 64 -4.746 0.232 -2.154 1.00 0.00 C ATOM 1068 CD2 LEU A 64 -6.046 2.302 -1.672 1.00 0.00 C ATOM 0 H LEU A 64 -2.609 2.436 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.819 0.764 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.456 0.022 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.656 1.699 0.733 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.971 2.024 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.666 0.565 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.852 -0.331 -1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.623 -0.406 -2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.930 2.583 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.978 1.751 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.069 3.201 -1.056 1.00 0.00 H new ATOM 1080 N THR A 65 -2.074 -0.746 1.143 1.00 0.00 N ATOM 1081 CA THR A 65 -1.213 -1.859 0.751 1.00 0.00 C ATOM 1082 C THR A 65 -1.828 -3.140 1.279 1.00 0.00 C ATOM 1083 O THR A 65 -2.851 -3.079 1.945 1.00 0.00 O ATOM 1084 CB THR A 65 0.212 -1.734 1.313 1.00 0.00 C ATOM 1085 OG1 THR A 65 0.273 -0.802 2.351 1.00 0.00 O ATOM 1086 CG2 THR A 65 1.241 -1.350 0.279 1.00 0.00 C ATOM 0 H THR A 65 -2.019 -0.507 2.133 1.00 0.00 H new ATOM 0 HA THR A 65 -1.138 -1.857 -0.336 1.00 0.00 H new ATOM 0 HB THR A 65 0.451 -2.733 1.679 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.979 -1.059 2.981 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.222 -1.281 0.750 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.268 -2.106 -0.506 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.978 -0.385 -0.155 1.00 0.00 H new ATOM 1094 N PRO A 66 -1.197 -4.316 1.070 1.00 0.00 N ATOM 1095 CA PRO A 66 -1.673 -5.591 1.624 1.00 0.00 C ATOM 1096 C PRO A 66 -2.305 -5.382 2.994 1.00 0.00 C ATOM 1097 O PRO A 66 -3.239 -6.082 3.377 1.00 0.00 O ATOM 1098 CB PRO A 66 -0.367 -6.398 1.748 1.00 0.00 C ATOM 1099 CG PRO A 66 0.691 -5.389 1.449 1.00 0.00 C ATOM 1100 CD PRO A 66 0.071 -4.541 0.397 1.00 0.00 C ATOM 0 HA PRO A 66 -2.436 -6.076 1.016 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.249 -6.821 2.746 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.340 -7.230 1.044 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.952 -4.807 2.333 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.608 -5.861 1.096 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.624 -3.622 0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.036 -5.053 -0.559 1.00 0.00 H new ATOM 1108 N GLU A 67 -1.809 -4.367 3.711 1.00 0.00 N ATOM 1109 CA GLU A 67 -2.361 -4.023 5.014 1.00 0.00 C ATOM 1110 C GLU A 67 -3.832 -3.775 4.825 1.00 0.00 C ATOM 1111 O GLU A 67 -4.702 -4.407 5.421 1.00 0.00 O ATOM 1112 CB GLU A 67 -1.772 -2.681 5.503 1.00 0.00 C ATOM 1113 CG GLU A 67 -0.429 -2.304 4.909 1.00 0.00 C ATOM 1114 CD GLU A 67 0.570 -3.447 4.913 1.00 0.00 C ATOM 1115 OE1 GLU A 67 0.377 -4.400 5.696 1.00 0.00 O ATOM 1116 OE2 GLU A 67 1.545 -3.386 4.134 1.00 0.00 O ATOM 0 H GLU A 67 -1.033 -3.778 3.409 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.142 -4.823 5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.485 -1.888 5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.672 -2.722 6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.576 -1.962 3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.014 -1.466 5.469 1.00 0.00 H new ATOM 1123 N GLU A 68 -4.055 -2.850 3.918 1.00 0.00 N ATOM 1124 CA GLU A 68 -5.373 -2.448 3.496 1.00 0.00 C ATOM 1125 C GLU A 68 -5.968 -3.472 2.544 1.00 0.00 C ATOM 1126 O GLU A 68 -7.104 -3.912 2.682 1.00 0.00 O ATOM 1127 CB GLU A 68 -5.287 -1.093 2.821 1.00 0.00 C ATOM 1128 CG GLU A 68 -6.615 -0.618 2.284 1.00 0.00 C ATOM 1129 CD GLU A 68 -6.929 -1.241 0.944 1.00 0.00 C ATOM 1130 OE1 GLU A 68 -5.966 -1.508 0.189 1.00 0.00 O ATOM 1131 OE2 GLU A 68 -8.121 -1.468 0.650 1.00 0.00 O ATOM 0 H GLU A 68 -3.305 -2.346 3.444 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.023 -2.382 4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.907 -0.361 3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.568 -1.145 2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.404 -0.865 2.994 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.601 0.468 2.187 1.00 0.00 H new ATOM 1138 N PHE A 69 -5.155 -3.798 1.546 1.00 0.00 N ATOM 1139 CA PHE A 69 -5.509 -4.722 0.484 1.00 0.00 C ATOM 1140 C PHE A 69 -6.025 -6.053 1.032 1.00 0.00 C ATOM 1141 O PHE A 69 -7.013 -6.596 0.537 1.00 0.00 O ATOM 1142 CB PHE A 69 -4.265 -4.950 -0.388 1.00 0.00 C ATOM 1143 CG PHE A 69 -4.200 -4.093 -1.627 1.00 0.00 C ATOM 1144 CD1 PHE A 69 -5.006 -4.393 -2.713 1.00 0.00 C ATOM 1145 CD2 PHE A 69 -3.326 -3.000 -1.721 1.00 0.00 C ATOM 1146 CE1 PHE A 69 -4.953 -3.635 -3.867 1.00 0.00 C ATOM 1147 CE2 PHE A 69 -3.278 -2.246 -2.878 1.00 0.00 C ATOM 1148 CZ PHE A 69 -4.090 -2.563 -3.949 1.00 0.00 C ATOM 0 H PHE A 69 -4.213 -3.418 1.454 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.318 -4.290 -0.106 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.376 -4.762 0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.233 -5.998 -0.685 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.685 -5.231 -2.657 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.689 -2.747 -0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.588 -3.882 -4.705 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.603 -1.406 -2.945 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.049 -1.971 -4.851 1.00 0.00 H new ATOM 1158 N ALA A 70 -5.350 -6.576 2.047 1.00 0.00 N ATOM 1159 CA ALA A 70 -5.738 -7.847 2.651 1.00 0.00 C ATOM 1160 C ALA A 70 -6.867 -7.683 3.669 1.00 0.00 C ATOM 1161 O ALA A 70 -7.686 -8.585 3.843 1.00 0.00 O ATOM 1162 CB ALA A 70 -4.532 -8.502 3.308 1.00 0.00 C ATOM 0 H ALA A 70 -4.531 -6.141 2.471 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.112 -8.487 1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.832 -9.450 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.762 -8.682 2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.137 -7.844 4.082 1.00 0.00 H new ATOM 1168 N GLN A 71 -6.895 -6.544 4.353 1.00 0.00 N ATOM 1169 CA GLN A 71 -7.916 -6.291 5.368 1.00 0.00 C ATOM 1170 C GLN A 71 -9.132 -5.557 4.800 1.00 0.00 C ATOM 1171 O GLN A 71 -10.134 -5.384 5.493 1.00 0.00 O ATOM 1172 CB GLN A 71 -7.320 -5.487 6.525 1.00 0.00 C ATOM 1173 CG GLN A 71 -7.807 -5.938 7.893 1.00 0.00 C ATOM 1174 CD GLN A 71 -7.424 -4.972 8.996 1.00 0.00 C ATOM 1175 OE1 GLN A 71 -8.147 -4.016 9.278 1.00 0.00 O ATOM 1176 NE2 GLN A 71 -6.283 -5.217 9.628 1.00 0.00 N ATOM 0 H GLN A 71 -6.227 -5.784 4.225 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.258 -7.261 5.729 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.233 -5.567 6.491 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.566 -4.434 6.390 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.891 -6.047 7.871 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.393 -6.921 8.116 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.715 -6.021 9.361 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.974 -4.601 10.380 1.00 0.00 H new ATOM 1185 N ARG A 72 -9.054 -5.138 3.540 1.00 0.00 N ATOM 1186 CA ARG A 72 -10.163 -4.443 2.905 1.00 0.00 C ATOM 1187 C ARG A 72 -11.102 -5.455 2.268 1.00 0.00 C ATOM 1188 O ARG A 72 -12.317 -5.262 2.235 1.00 0.00 O ATOM 1189 CB ARG A 72 -9.664 -3.434 1.863 1.00 0.00 C ATOM 1190 CG ARG A 72 -9.081 -4.071 0.607 1.00 0.00 C ATOM 1191 CD ARG A 72 -9.927 -3.764 -0.619 1.00 0.00 C ATOM 1192 NE ARG A 72 -10.096 -4.935 -1.477 1.00 0.00 N ATOM 1193 CZ ARG A 72 -9.231 -5.294 -2.425 1.00 0.00 C ATOM 1194 NH1 ARG A 72 -8.127 -4.586 -2.632 1.00 0.00 N ATOM 1195 NH2 ARG A 72 -9.469 -6.368 -3.164 1.00 0.00 N ATOM 0 H ARG A 72 -8.237 -5.268 2.943 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.705 -3.883 3.668 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.491 -2.784 1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.905 -2.800 2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.066 -3.706 0.450 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.014 -5.150 0.743 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.905 -3.403 -0.303 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.460 -2.961 -1.190 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.926 -5.512 -1.342 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.936 -3.761 -2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.470 -4.867 -3.360 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.313 -6.918 -3.007 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.808 -6.644 -3.890 1.00 0.00 H new