USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 432 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 14 GLN :FLIP amide:sc= 1.21 F(o=0.063,f=1.3) USER MOD Set 1.2: A 63 TYR OH : rot 122:sc= 0.047 USER MOD Set 2.1: A 18 TYR OH : rot 180:sc= 0.126 USER MOD Set 2.2: A 53 THR OG1 : rot -88:sc= 1.93 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 122:sc= -0.455 USER MOD Single : A 19 THR OG1 : rot -110:sc= -0.337 USER MOD Single : A 22 HIS : no HD1:sc= -0.0193 K(o=-0.019,f=-2.1!) USER MOD Single : A 23 ASN : amide:sc= -5.25! C(o=-5.2!,f=-7!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0658 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 35 TYR OH : rot 120:sc= -1.14 USER MOD Single : A 36 THR OG1 : rot -156:sc= -2.46! USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.255 K(o=-0.26,f=-0.88) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0757 USER MOD ----------------------------------------------------------------- ATOM 45 N PRO A 5 4.248 6.508 7.644 1.00 10.00 N ATOM 46 CA PRO A 5 3.731 5.159 7.447 1.00 10.00 C ATOM 47 C PRO A 5 4.845 4.117 7.295 1.00 10.00 C ATOM 48 O PRO A 5 5.032 3.255 8.154 1.00 10.00 O ATOM 49 CB PRO A 5 2.912 5.289 6.159 1.00 10.00 C ATOM 50 CG PRO A 5 3.449 6.486 5.430 1.00 10.00 C ATOM 51 CD PRO A 5 4.351 7.247 6.376 1.00 10.00 C ATOM 0 HA PRO A 5 3.151 4.809 8.301 1.00 10.00 H new ATOM 0 HB2 PRO A 5 3.004 4.390 5.549 1.00 10.00 H new ATOM 0 HB3 PRO A 5 1.853 5.415 6.384 1.00 10.00 H new ATOM 0 HG2 PRO A 5 4.002 6.175 4.544 1.00 10.00 H new ATOM 0 HG3 PRO A 5 2.632 7.122 5.089 1.00 10.00 H new ATOM 0 HD2 PRO A 5 5.378 7.273 6.012 1.00 10.00 H new ATOM 0 HD3 PRO A 5 4.027 8.281 6.490 1.00 10.00 H new ATOM 59 N VAL A 6 5.587 4.212 6.197 1.00 10.00 N ATOM 60 CA VAL A 6 6.723 3.335 5.935 1.00 10.00 C ATOM 61 C VAL A 6 7.725 4.064 5.065 1.00 10.00 C ATOM 62 O VAL A 6 7.354 4.596 4.014 1.00 10.00 O ATOM 63 CB VAL A 6 6.326 2.008 5.227 1.00 10.00 C ATOM 64 CG1 VAL A 6 4.926 2.076 4.656 1.00 10.00 C ATOM 65 CG2 VAL A 6 7.313 1.650 4.122 1.00 10.00 C ATOM 0 H VAL A 6 5.418 4.900 5.463 1.00 10.00 H new ATOM 0 HA VAL A 6 7.147 3.073 6.904 1.00 10.00 H new ATOM 0 HB VAL A 6 6.352 1.228 5.988 1.00 10.00 H new ATOM 0 HG11 VAL A 6 4.685 1.131 4.170 1.00 10.00 H new ATOM 0 HG12 VAL A 6 4.214 2.262 5.460 1.00 10.00 H new ATOM 0 HG13 VAL A 6 4.869 2.884 3.927 1.00 10.00 H new ATOM 0 HG21 VAL A 6 7.006 0.718 3.648 1.00 10.00 H new ATOM 0 HG22 VAL A 6 7.331 2.447 3.378 1.00 10.00 H new ATOM 0 HG23 VAL A 6 8.309 1.529 4.549 1.00 10.00 H new ATOM 75 N ALA A 7 8.968 4.148 5.539 1.00 10.00 N ATOM 76 CA ALA A 7 10.093 4.673 4.758 1.00 10.00 C ATOM 77 C ALA A 7 9.990 6.185 4.556 1.00 10.00 C ATOM 78 O ALA A 7 10.996 6.868 4.368 1.00 10.00 O ATOM 79 CB ALA A 7 10.225 3.924 3.429 1.00 10.00 C ATOM 0 H ALA A 7 9.226 3.853 6.481 1.00 10.00 H new ATOM 0 HA ALA A 7 11.006 4.500 5.328 1.00 10.00 H new ATOM 0 HB1 ALA A 7 11.065 4.329 2.865 1.00 10.00 H new ATOM 0 HB2 ALA A 7 10.395 2.865 3.623 1.00 10.00 H new ATOM 0 HB3 ALA A 7 9.309 4.044 2.851 1.00 10.00 H new ATOM 85 N GLU A 8 8.752 6.673 4.568 1.00 10.00 N ATOM 86 CA GLU A 8 8.418 8.100 4.497 1.00 10.00 C ATOM 87 C GLU A 8 8.542 8.630 3.070 1.00 10.00 C ATOM 88 O GLU A 8 7.958 9.655 2.726 1.00 10.00 O ATOM 89 CB GLU A 8 9.269 8.909 5.483 1.00 10.00 C ATOM 90 CG GLU A 8 9.177 8.376 6.901 1.00 10.00 C ATOM 91 CD GLU A 8 9.947 9.202 7.901 1.00 10.00 C ATOM 92 OE1 GLU A 8 11.164 9.402 7.704 1.00 10.00 O ATOM 93 OE2 GLU A 8 9.343 9.646 8.899 1.00 10.00 O ATOM 0 H GLU A 8 7.929 6.074 4.629 1.00 10.00 H new ATOM 0 HA GLU A 8 7.375 8.218 4.790 1.00 10.00 H new ATOM 0 HB2 GLU A 8 10.310 8.893 5.159 1.00 10.00 H new ATOM 0 HB3 GLU A 8 8.946 9.950 5.468 1.00 10.00 H new ATOM 0 HG2 GLU A 8 8.130 8.339 7.201 1.00 10.00 H new ATOM 0 HG3 GLU A 8 9.551 7.352 6.922 1.00 10.00 H new ATOM 100 N CYS A 9 9.290 7.917 2.239 1.00 10.00 N ATOM 101 CA CYS A 9 9.416 8.274 0.833 1.00 10.00 C ATOM 102 C CYS A 9 8.261 7.710 0.009 1.00 10.00 C ATOM 103 O CYS A 9 8.068 8.101 -1.137 1.00 10.00 O ATOM 104 CB CYS A 9 10.733 7.754 0.264 1.00 10.00 C ATOM 105 SG CYS A 9 12.222 8.289 1.158 1.00 10.00 S ATOM 0 H CYS A 9 9.818 7.089 2.514 1.00 10.00 H new ATOM 0 HA CYS A 9 9.393 9.362 0.773 1.00 10.00 H new ATOM 0 HB2 CYS A 9 10.703 6.664 0.258 1.00 10.00 H new ATOM 0 HB3 CYS A 9 10.815 8.077 -0.774 1.00 10.00 H new ATOM 110 N VAL A 10 7.512 6.774 0.576 1.00 10.00 N ATOM 111 CA VAL A 10 6.398 6.169 -0.142 1.00 10.00 C ATOM 112 C VAL A 10 5.104 6.888 0.243 1.00 10.00 C ATOM 113 O VAL A 10 4.865 7.162 1.425 1.00 10.00 O ATOM 114 CB VAL A 10 6.295 4.630 0.109 1.00 10.00 C ATOM 115 CG1 VAL A 10 7.453 4.138 0.963 1.00 10.00 C ATOM 116 CG2 VAL A 10 4.968 4.227 0.744 1.00 10.00 C ATOM 0 H VAL A 10 7.653 6.420 1.522 1.00 10.00 H new ATOM 0 HA VAL A 10 6.572 6.287 -1.212 1.00 10.00 H new ATOM 0 HB VAL A 10 6.346 4.154 -0.870 1.00 10.00 H new ATOM 0 HG11 VAL A 10 7.357 3.064 1.122 1.00 10.00 H new ATOM 0 HG12 VAL A 10 8.394 4.347 0.455 1.00 10.00 H new ATOM 0 HG13 VAL A 10 7.439 4.650 1.925 1.00 10.00 H new ATOM 0 HG21 VAL A 10 4.950 3.148 0.896 1.00 10.00 H new ATOM 0 HG22 VAL A 10 4.856 4.731 1.704 1.00 10.00 H new ATOM 0 HG23 VAL A 10 4.148 4.514 0.086 1.00 10.00 H new ATOM 126 N GLU A 11 4.294 7.215 -0.753 1.00 10.00 N ATOM 127 CA GLU A 11 3.078 7.983 -0.531 1.00 10.00 C ATOM 128 C GLU A 11 1.901 7.346 -1.261 1.00 10.00 C ATOM 129 O GLU A 11 1.942 7.197 -2.478 1.00 10.00 O ATOM 130 CB GLU A 11 3.269 9.430 -1.015 1.00 10.00 C ATOM 131 CG GLU A 11 1.977 10.231 -1.088 1.00 10.00 C ATOM 132 CD GLU A 11 2.182 11.635 -1.623 1.00 10.00 C ATOM 133 OE1 GLU A 11 2.419 11.783 -2.837 1.00 10.00 O ATOM 134 OE2 GLU A 11 2.130 12.595 -0.825 1.00 10.00 O ATOM 0 H GLU A 11 4.458 6.959 -1.727 1.00 10.00 H new ATOM 0 HA GLU A 11 2.866 7.988 0.538 1.00 10.00 H new ATOM 0 HB2 GLU A 11 3.963 9.938 -0.345 1.00 10.00 H new ATOM 0 HB3 GLU A 11 3.732 9.415 -2.002 1.00 10.00 H new ATOM 0 HG2 GLU A 11 1.265 9.705 -1.725 1.00 10.00 H new ATOM 0 HG3 GLU A 11 1.534 10.288 -0.094 1.00 10.00 H new ATOM 141 N TYR A 12 0.873 6.944 -0.525 1.00 10.00 N ATOM 142 CA TYR A 12 -0.316 6.382 -1.161 1.00 10.00 C ATOM 143 C TYR A 12 -1.430 7.399 -1.359 1.00 10.00 C ATOM 144 O TYR A 12 -1.452 8.473 -0.750 1.00 10.00 O ATOM 145 CB TYR A 12 -0.866 5.143 -0.428 1.00 10.00 C ATOM 146 CG TYR A 12 -1.300 5.323 1.020 1.00 10.00 C ATOM 147 CD1 TYR A 12 -1.566 6.569 1.586 1.00 10.00 C ATOM 148 CD2 TYR A 12 -1.433 4.207 1.828 1.00 10.00 C ATOM 149 CE1 TYR A 12 -1.947 6.683 2.910 1.00 10.00 C ATOM 150 CE2 TYR A 12 -1.808 4.313 3.148 1.00 10.00 C ATOM 151 CZ TYR A 12 -2.063 5.553 3.686 1.00 10.00 C ATOM 152 OH TYR A 12 -2.433 5.662 5.002 1.00 10.00 O ATOM 0 H TYR A 12 0.835 6.994 0.493 1.00 10.00 H new ATOM 0 HA TYR A 12 0.031 6.068 -2.145 1.00 10.00 H new ATOM 0 HB2 TYR A 12 -1.721 4.769 -0.992 1.00 10.00 H new ATOM 0 HB3 TYR A 12 -0.101 4.367 -0.457 1.00 10.00 H new ATOM 0 HD1 TYR A 12 -1.473 7.459 0.981 1.00 10.00 H new ATOM 0 HD2 TYR A 12 -1.238 3.229 1.413 1.00 10.00 H new ATOM 0 HE1 TYR A 12 -2.153 7.655 3.333 1.00 10.00 H new ATOM 0 HE2 TYR A 12 -1.902 3.427 3.758 1.00 10.00 H new ATOM 0 HH TYR A 12 -2.469 4.770 5.407 1.00 10.00 H new ATOM 162 N PHE A 13 -2.332 7.025 -2.242 1.00 10.00 N ATOM 163 CA PHE A 13 -3.592 7.704 -2.450 1.00 10.00 C ATOM 164 C PHE A 13 -4.625 6.617 -2.741 1.00 10.00 C ATOM 165 O PHE A 13 -4.276 5.436 -2.755 1.00 10.00 O ATOM 166 CB PHE A 13 -3.489 8.714 -3.605 1.00 10.00 C ATOM 167 CG PHE A 13 -4.711 9.574 -3.785 1.00 10.00 C ATOM 168 CD1 PHE A 13 -5.187 10.345 -2.739 1.00 10.00 C ATOM 169 CD2 PHE A 13 -5.379 9.613 -4.998 1.00 10.00 C ATOM 170 CE1 PHE A 13 -6.307 11.139 -2.898 1.00 10.00 C ATOM 171 CE2 PHE A 13 -6.498 10.404 -5.164 1.00 10.00 C ATOM 172 CZ PHE A 13 -6.971 11.156 -4.120 1.00 10.00 C ATOM 0 H PHE A 13 -2.204 6.217 -2.852 1.00 10.00 H new ATOM 0 HA PHE A 13 -3.880 8.281 -1.572 1.00 10.00 H new ATOM 0 HB2 PHE A 13 -2.627 9.359 -3.433 1.00 10.00 H new ATOM 0 HB3 PHE A 13 -3.301 8.171 -4.531 1.00 10.00 H new ATOM 0 HD1 PHE A 13 -4.677 10.326 -1.787 1.00 10.00 H new ATOM 0 HD2 PHE A 13 -5.020 9.017 -5.824 1.00 10.00 H new ATOM 0 HE1 PHE A 13 -6.665 11.743 -2.077 1.00 10.00 H new ATOM 0 HE2 PHE A 13 -7.002 10.430 -6.119 1.00 10.00 H new ATOM 0 HZ PHE A 13 -7.857 11.760 -4.246 1.00 10.00 H new ATOM 182 N GLN A 14 -5.874 6.978 -2.949 1.00 10.00 N ATOM 183 CA GLN A 14 -6.903 5.984 -3.176 1.00 10.00 C ATOM 184 C GLN A 14 -7.832 6.397 -4.308 1.00 10.00 C ATOM 185 O GLN A 14 -8.518 7.417 -4.232 1.00 10.00 O ATOM 186 CB GLN A 14 -7.678 5.726 -1.881 1.00 10.00 C ATOM 187 CG GLN A 14 -7.977 6.981 -1.076 1.00 10.00 C ATOM 188 CD GLN A 14 -8.654 6.669 0.245 1.00 10.00 C ATOM 189 OE1 GLN A 14 -8.387 7.472 1.263 1.00 10.00 O flip ATOM 190 NE2 GLN A 14 -9.399 5.699 0.352 1.00 10.00 N flip ATOM 0 H GLN A 14 -6.200 7.944 -2.966 1.00 10.00 H new ATOM 0 HA GLN A 14 -6.424 5.054 -3.481 1.00 10.00 H new ATOM 0 HB2 GLN A 14 -8.618 5.231 -2.125 1.00 10.00 H new ATOM 0 HB3 GLN A 14 -7.107 5.036 -1.260 1.00 10.00 H new ATOM 0 HG2 GLN A 14 -7.048 7.519 -0.888 1.00 10.00 H new ATOM 0 HG3 GLN A 14 -8.615 7.642 -1.662 1.00 10.00 H new ATOM 0 HE21 GLN A 14 -9.580 5.104 -0.456 1.00 10.00 H new ATOM 0 HE22 GLN A 14 -9.837 5.489 1.249 1.00 10.00 H new ATOM 199 N SER A 15 -7.840 5.597 -5.365 1.00 10.00 N ATOM 200 CA SER A 15 -8.711 5.835 -6.497 1.00 10.00 C ATOM 201 C SER A 15 -9.633 4.632 -6.705 1.00 10.00 C ATOM 202 O SER A 15 -9.305 3.704 -7.444 1.00 10.00 O ATOM 203 CB SER A 15 -7.873 6.135 -7.750 1.00 10.00 C ATOM 204 OG SER A 15 -6.781 5.233 -7.873 1.00 10.00 O ATOM 0 H SER A 15 -7.247 4.773 -5.458 1.00 10.00 H new ATOM 0 HA SER A 15 -9.338 6.705 -6.302 1.00 10.00 H new ATOM 0 HB2 SER A 15 -8.504 6.067 -8.636 1.00 10.00 H new ATOM 0 HB3 SER A 15 -7.498 7.158 -7.703 1.00 10.00 H new ATOM 0 HG SER A 15 -6.841 4.762 -8.730 1.00 10.00 H new ATOM 210 N TRP A 16 -10.767 4.644 -5.996 1.00 10.00 N ATOM 211 CA TRP A 16 -11.739 3.547 -6.022 1.00 10.00 C ATOM 212 C TRP A 16 -11.145 2.242 -5.487 1.00 10.00 C ATOM 213 O TRP A 16 -11.279 1.928 -4.307 1.00 10.00 O ATOM 214 CB TRP A 16 -12.306 3.322 -7.434 1.00 10.00 C ATOM 215 CG TRP A 16 -13.333 4.336 -7.852 1.00 10.00 C ATOM 216 CD1 TRP A 16 -14.647 4.371 -7.475 1.00 10.00 C ATOM 217 CD2 TRP A 16 -13.139 5.452 -8.733 1.00 10.00 C ATOM 218 NE1 TRP A 16 -15.278 5.439 -8.065 1.00 10.00 N ATOM 219 CE2 TRP A 16 -14.375 6.117 -8.842 1.00 10.00 C ATOM 220 CE3 TRP A 16 -12.042 5.955 -9.444 1.00 10.00 C ATOM 221 CZ2 TRP A 16 -14.544 7.257 -9.625 1.00 10.00 C ATOM 222 CZ3 TRP A 16 -12.212 7.086 -10.223 1.00 10.00 C ATOM 223 CH2 TRP A 16 -13.456 7.726 -10.308 1.00 10.00 C ATOM 0 H TRP A 16 -11.037 5.417 -5.387 1.00 10.00 H new ATOM 0 HA TRP A 16 -12.555 3.847 -5.364 1.00 10.00 H new ATOM 0 HB2 TRP A 16 -11.484 3.336 -8.150 1.00 10.00 H new ATOM 0 HB3 TRP A 16 -12.752 2.329 -7.481 1.00 10.00 H new ATOM 0 HD1 TRP A 16 -15.119 3.663 -6.811 1.00 10.00 H new ATOM 0 HE1 TRP A 16 -16.260 5.687 -7.944 1.00 10.00 H new ATOM 0 HE3 TRP A 16 -11.080 5.468 -9.385 1.00 10.00 H new ATOM 0 HZ2 TRP A 16 -15.501 7.753 -9.690 1.00 10.00 H new ATOM 0 HZ3 TRP A 16 -11.372 7.482 -10.775 1.00 10.00 H new ATOM 0 HH2 TRP A 16 -13.557 8.607 -10.925 1.00 10.00 H new ATOM 234 N ARG A 17 -10.468 1.503 -6.353 1.00 10.00 N ATOM 235 CA ARG A 17 -9.982 0.169 -6.017 1.00 10.00 C ATOM 236 C ARG A 17 -8.465 0.095 -6.141 1.00 10.00 C ATOM 237 O ARG A 17 -7.884 -0.988 -6.163 1.00 10.00 O ATOM 238 CB ARG A 17 -10.631 -0.860 -6.947 1.00 10.00 C ATOM 239 CG ARG A 17 -10.352 -0.603 -8.423 1.00 10.00 C ATOM 240 CD ARG A 17 -11.111 -1.571 -9.314 1.00 10.00 C ATOM 241 NE ARG A 17 -12.558 -1.464 -9.132 1.00 10.00 N ATOM 242 CZ ARG A 17 -13.371 -2.510 -9.022 1.00 10.00 C ATOM 243 NH1 ARG A 17 -12.884 -3.743 -9.083 1.00 10.00 N ATOM 244 NH2 ARG A 17 -14.673 -2.314 -8.865 1.00 10.00 N ATOM 0 H ARG A 17 -10.241 1.805 -7.300 1.00 10.00 H new ATOM 0 HA ARG A 17 -10.250 -0.049 -4.983 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -10.270 -1.854 -6.684 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -11.709 -0.858 -6.783 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -10.633 0.420 -8.674 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -9.283 -0.695 -8.613 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -10.861 -1.376 -10.357 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -10.793 -2.590 -9.096 1.00 10.00 H new ATOM 0 HE ARG A 17 -12.968 -0.531 -9.087 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -11.883 -3.890 -9.215 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -13.510 -4.544 -8.998 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -15.045 -1.365 -8.829 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -15.302 -3.112 -8.780 1.00 10.00 H new ATOM 258 N TYR A 18 -7.834 1.251 -6.176 1.00 10.00 N ATOM 259 CA TYR A 18 -6.413 1.341 -6.437 1.00 10.00 C ATOM 260 C TYR A 18 -5.774 2.266 -5.414 1.00 10.00 C ATOM 261 O TYR A 18 -5.846 3.488 -5.544 1.00 10.00 O ATOM 262 CB TYR A 18 -6.185 1.888 -7.851 1.00 10.00 C ATOM 263 CG TYR A 18 -4.911 1.431 -8.542 1.00 10.00 C ATOM 264 CD1 TYR A 18 -3.698 1.462 -7.858 1.00 10.00 C ATOM 265 CD2 TYR A 18 -4.905 0.970 -9.854 1.00 10.00 C ATOM 266 CE1 TYR A 18 -2.527 1.052 -8.461 1.00 10.00 C ATOM 267 CE2 TYR A 18 -3.741 0.564 -10.459 1.00 10.00 C ATOM 268 CZ TYR A 18 -2.608 0.582 -9.845 1.00 10.00 C ATOM 269 OH TYR A 18 -1.392 0.193 -10.368 1.00 10.00 O ATOM 0 H TYR A 18 -8.290 2.151 -6.025 1.00 10.00 H new ATOM 0 HA TYR A 18 -5.961 0.352 -6.361 1.00 10.00 H new ATOM 0 HB2 TYR A 18 -7.034 1.602 -8.472 1.00 10.00 H new ATOM 0 HB3 TYR A 18 -6.178 2.977 -7.802 1.00 10.00 H new ATOM 0 HD1 TYR A 18 -3.674 1.813 -6.837 1.00 10.00 H new ATOM 0 HD2 TYR A 18 -5.832 0.931 -10.407 1.00 10.00 H new ATOM 0 HE1 TYR A 18 -1.586 1.077 -7.932 1.00 10.00 H new ATOM 0 HE2 TYR A 18 -3.776 0.219 -11.482 1.00 10.00 H new ATOM 0 HH TYR A 18 -1.515 -0.110 -11.292 1.00 10.00 H new ATOM 279 N THR A 19 -5.220 1.692 -4.365 1.00 10.00 N ATOM 280 CA THR A 19 -4.423 2.450 -3.434 1.00 10.00 C ATOM 281 C THR A 19 -2.988 2.510 -3.937 1.00 10.00 C ATOM 282 O THR A 19 -2.226 1.547 -3.833 1.00 10.00 O ATOM 283 CB THR A 19 -4.527 1.851 -2.017 1.00 10.00 C ATOM 284 OG1 THR A 19 -5.809 2.183 -1.474 1.00 10.00 O ATOM 285 CG2 THR A 19 -3.428 2.351 -1.086 1.00 10.00 C ATOM 0 H THR A 19 -5.310 0.701 -4.140 1.00 10.00 H new ATOM 0 HA THR A 19 -4.799 3.471 -3.367 1.00 10.00 H new ATOM 0 HB THR A 19 -4.405 0.771 -2.098 1.00 10.00 H new ATOM 0 HG1 THR A 19 -5.699 2.834 -0.750 1.00 10.00 H new ATOM 0 HG21 THR A 19 -3.550 1.897 -0.102 1.00 10.00 H new ATOM 0 HG22 THR A 19 -2.454 2.079 -1.493 1.00 10.00 H new ATOM 0 HG23 THR A 19 -3.493 3.435 -0.996 1.00 10.00 H new ATOM 293 N ASP A 20 -2.674 3.632 -4.562 1.00 10.00 N ATOM 294 CA ASP A 20 -1.383 3.850 -5.192 1.00 10.00 C ATOM 295 C ASP A 20 -0.353 4.357 -4.208 1.00 10.00 C ATOM 296 O ASP A 20 -0.424 5.494 -3.766 1.00 10.00 O ATOM 297 CB ASP A 20 -1.515 4.858 -6.342 1.00 10.00 C ATOM 298 CG ASP A 20 -2.331 6.091 -5.973 1.00 10.00 C ATOM 299 OD1 ASP A 20 -3.575 5.997 -5.939 1.00 10.00 O ATOM 300 OD2 ASP A 20 -1.724 7.157 -5.723 1.00 10.00 O ATOM 0 H ASP A 20 -3.312 4.423 -4.647 1.00 10.00 H new ATOM 0 HA ASP A 20 -1.047 2.886 -5.576 1.00 10.00 H new ATOM 0 HB2 ASP A 20 -0.520 5.171 -6.658 1.00 10.00 H new ATOM 0 HB3 ASP A 20 -1.980 4.365 -7.196 1.00 10.00 H new ATOM 305 N VAL A 21 0.615 3.525 -3.874 1.00 10.00 N ATOM 306 CA VAL A 21 1.723 3.978 -3.060 1.00 10.00 C ATOM 307 C VAL A 21 2.915 4.228 -3.960 1.00 10.00 C ATOM 308 O VAL A 21 3.493 3.312 -4.543 1.00 10.00 O ATOM 309 CB VAL A 21 2.050 3.038 -1.858 1.00 10.00 C ATOM 310 CG1 VAL A 21 1.151 1.815 -1.839 1.00 10.00 C ATOM 311 CG2 VAL A 21 3.518 2.632 -1.803 1.00 10.00 C ATOM 0 H VAL A 21 0.656 2.544 -4.150 1.00 10.00 H new ATOM 0 HA VAL A 21 1.435 4.913 -2.579 1.00 10.00 H new ATOM 0 HB VAL A 21 1.849 3.622 -0.960 1.00 10.00 H new ATOM 0 HG11 VAL A 21 1.410 1.186 -0.987 1.00 10.00 H new ATOM 0 HG12 VAL A 21 0.111 2.129 -1.754 1.00 10.00 H new ATOM 0 HG13 VAL A 21 1.285 1.250 -2.762 1.00 10.00 H new ATOM 0 HG21 VAL A 21 3.683 1.979 -0.946 1.00 10.00 H new ATOM 0 HG22 VAL A 21 3.784 2.104 -2.719 1.00 10.00 H new ATOM 0 HG23 VAL A 21 4.138 3.523 -1.705 1.00 10.00 H new ATOM 321 N HIS A 22 3.183 5.501 -4.154 1.00 10.00 N ATOM 322 CA HIS A 22 4.289 5.942 -4.971 1.00 10.00 C ATOM 323 C HIS A 22 5.475 6.295 -4.102 1.00 10.00 C ATOM 324 O HIS A 22 5.436 7.267 -3.348 1.00 10.00 O ATOM 325 CB HIS A 22 3.895 7.143 -5.854 1.00 10.00 C ATOM 326 CG HIS A 22 2.645 7.868 -5.439 1.00 10.00 C ATOM 327 ND1 HIS A 22 2.637 9.087 -4.794 1.00 10.00 N ATOM 328 CD2 HIS A 22 1.345 7.540 -5.624 1.00 10.00 C ATOM 329 CE1 HIS A 22 1.384 9.473 -4.607 1.00 10.00 C ATOM 330 NE2 HIS A 22 0.585 8.548 -5.102 1.00 10.00 N ATOM 0 H HIS A 22 2.637 6.261 -3.747 1.00 10.00 H new ATOM 0 HA HIS A 22 4.565 5.120 -5.631 1.00 10.00 H new ATOM 0 HB2 HIS A 22 4.721 7.854 -5.860 1.00 10.00 H new ATOM 0 HB3 HIS A 22 3.768 6.793 -6.878 1.00 10.00 H new ATOM 0 HD2 HIS A 22 0.975 6.643 -6.099 1.00 10.00 H new ATOM 0 HE1 HIS A 22 1.070 10.390 -4.130 1.00 10.00 H new ATOM 0 HE2 HIS A 22 -0.434 8.580 -5.096 1.00 10.00 H new ATOM 339 N ASN A 23 6.515 5.487 -4.188 1.00 10.00 N ATOM 340 CA ASN A 23 7.730 5.743 -3.440 1.00 10.00 C ATOM 341 C ASN A 23 8.579 6.786 -4.166 1.00 10.00 C ATOM 342 O ASN A 23 8.442 6.971 -5.369 1.00 10.00 O ATOM 343 CB ASN A 23 8.522 4.445 -3.240 1.00 10.00 C ATOM 344 CG ASN A 23 9.900 4.663 -2.637 1.00 10.00 C ATOM 345 OD1 ASN A 23 10.878 4.894 -3.347 1.00 10.00 O ATOM 346 ND2 ASN A 23 9.990 4.582 -1.319 1.00 10.00 N ATOM 0 H ASN A 23 6.542 4.649 -4.768 1.00 10.00 H new ATOM 0 HA ASN A 23 7.463 6.132 -2.457 1.00 10.00 H new ATOM 0 HB2 ASN A 23 7.953 3.777 -2.594 1.00 10.00 H new ATOM 0 HB3 ASN A 23 8.630 3.943 -4.201 1.00 10.00 H new ATOM 0 HD21 ASN A 23 10.892 4.713 -0.860 1.00 10.00 H new ATOM 0 HD22 ASN A 23 9.158 4.389 -0.762 1.00 10.00 H new ATOM 353 N GLY A 24 9.417 7.496 -3.431 1.00 10.00 N ATOM 354 CA GLY A 24 10.350 8.410 -4.054 1.00 10.00 C ATOM 355 C GLY A 24 11.629 8.547 -3.262 1.00 10.00 C ATOM 356 O GLY A 24 12.209 9.625 -3.191 1.00 10.00 O ATOM 0 H GLY A 24 9.469 7.457 -2.413 1.00 10.00 H new ATOM 0 HA2 GLY A 24 10.583 8.059 -5.059 1.00 10.00 H new ATOM 0 HA3 GLY A 24 9.882 9.389 -4.158 1.00 10.00 H new ATOM 360 N CYS A 25 12.072 7.448 -2.661 1.00 10.00 N ATOM 361 CA CYS A 25 13.271 7.467 -1.835 1.00 10.00 C ATOM 362 C CYS A 25 14.515 7.499 -2.706 1.00 10.00 C ATOM 363 O CYS A 25 15.185 8.530 -2.767 1.00 10.00 O ATOM 364 CB CYS A 25 13.292 6.279 -0.863 1.00 10.00 C ATOM 365 SG CYS A 25 13.511 6.747 0.890 1.00 10.00 S ATOM 0 H CYS A 25 11.620 6.536 -2.731 1.00 10.00 H new ATOM 0 HA CYS A 25 13.260 8.376 -1.233 1.00 10.00 H new ATOM 0 HB2 CYS A 25 12.359 5.724 -0.965 1.00 10.00 H new ATOM 0 HB3 CYS A 25 14.098 5.604 -1.150 1.00 10.00 H new ATOM 370 N ALA A 26 14.738 6.397 -3.436 1.00 10.00 N ATOM 371 CA ALA A 26 15.963 6.135 -4.205 1.00 10.00 C ATOM 372 C ALA A 26 16.295 4.661 -4.102 1.00 10.00 C ATOM 373 O ALA A 26 16.868 4.074 -5.015 1.00 10.00 O ATOM 374 CB ALA A 26 17.161 6.925 -3.712 1.00 10.00 C ATOM 0 H ALA A 26 14.054 5.644 -3.510 1.00 10.00 H new ATOM 0 HA ALA A 26 15.766 6.443 -5.232 1.00 10.00 H new ATOM 0 HB1 ALA A 26 18.031 6.685 -4.323 1.00 10.00 H new ATOM 0 HB2 ALA A 26 16.949 7.992 -3.786 1.00 10.00 H new ATOM 0 HB3 ALA A 26 17.364 6.667 -2.673 1.00 10.00 H new ATOM 380 N ASP A 27 15.958 4.076 -2.964 1.00 10.00 N ATOM 381 CA ASP A 27 16.180 2.659 -2.739 1.00 10.00 C ATOM 382 C ASP A 27 14.860 1.916 -2.575 1.00 10.00 C ATOM 383 O ASP A 27 13.826 2.517 -2.268 1.00 10.00 O ATOM 384 CB ASP A 27 17.063 2.456 -1.504 1.00 10.00 C ATOM 385 CG ASP A 27 16.413 2.947 -0.222 1.00 10.00 C ATOM 386 OD1 ASP A 27 15.889 4.084 -0.214 1.00 10.00 O ATOM 387 OD2 ASP A 27 16.399 2.191 0.776 1.00 10.00 O ATOM 0 H ASP A 27 15.528 4.564 -2.179 1.00 10.00 H new ATOM 0 HA ASP A 27 16.689 2.250 -3.612 1.00 10.00 H new ATOM 0 HB2 ASP A 27 17.298 1.397 -1.403 1.00 10.00 H new ATOM 0 HB3 ASP A 27 18.008 2.980 -1.650 1.00 10.00 H new ATOM 392 N ALA A 28 14.903 0.615 -2.824 1.00 10.00 N ATOM 393 CA ALA A 28 13.739 -0.250 -2.691 1.00 10.00 C ATOM 394 C ALA A 28 13.353 -0.438 -1.230 1.00 10.00 C ATOM 395 O ALA A 28 14.177 -0.818 -0.402 1.00 10.00 O ATOM 396 CB ALA A 28 14.021 -1.605 -3.329 1.00 10.00 C ATOM 0 H ALA A 28 15.748 0.128 -3.125 1.00 10.00 H new ATOM 0 HA ALA A 28 12.905 0.228 -3.204 1.00 10.00 H new ATOM 0 HB1 ALA A 28 13.145 -2.246 -3.225 1.00 10.00 H new ATOM 0 HB2 ALA A 28 14.248 -1.469 -4.386 1.00 10.00 H new ATOM 0 HB3 ALA A 28 14.872 -2.071 -2.833 1.00 10.00 H new ATOM 402 N VAL A 29 12.099 -0.181 -0.917 1.00 10.00 N ATOM 403 CA VAL A 29 11.614 -0.385 0.440 1.00 10.00 C ATOM 404 C VAL A 29 10.401 -1.287 0.459 1.00 10.00 C ATOM 405 O VAL A 29 9.520 -1.176 -0.379 1.00 10.00 O ATOM 406 CB VAL A 29 11.272 0.932 1.171 1.00 10.00 C ATOM 407 CG1 VAL A 29 12.522 1.772 1.398 1.00 10.00 C ATOM 408 CG2 VAL A 29 10.230 1.734 0.407 1.00 10.00 C ATOM 0 H VAL A 29 11.400 0.166 -1.574 1.00 10.00 H new ATOM 0 HA VAL A 29 12.439 -0.858 0.973 1.00 10.00 H new ATOM 0 HB VAL A 29 10.853 0.666 2.142 1.00 10.00 H new ATOM 0 HG11 VAL A 29 12.252 2.693 1.914 1.00 10.00 H new ATOM 0 HG12 VAL A 29 13.232 1.211 2.005 1.00 10.00 H new ATOM 0 HG13 VAL A 29 12.977 2.014 0.438 1.00 10.00 H new ATOM 0 HG21 VAL A 29 10.011 2.655 0.948 1.00 10.00 H new ATOM 0 HG22 VAL A 29 10.613 1.977 -0.584 1.00 10.00 H new ATOM 0 HG23 VAL A 29 9.318 1.145 0.309 1.00 10.00 H new ATOM 418 N SER A 30 10.355 -2.168 1.432 1.00 10.00 N ATOM 419 CA SER A 30 9.261 -3.102 1.552 1.00 10.00 C ATOM 420 C SER A 30 8.158 -2.475 2.370 1.00 10.00 C ATOM 421 O SER A 30 8.374 -2.060 3.502 1.00 10.00 O ATOM 422 CB SER A 30 9.772 -4.396 2.178 1.00 10.00 C ATOM 423 OG SER A 30 10.925 -4.864 1.492 1.00 10.00 O ATOM 0 H SER A 30 11.068 -2.257 2.156 1.00 10.00 H new ATOM 0 HA SER A 30 8.852 -3.344 0.571 1.00 10.00 H new ATOM 0 HB2 SER A 30 10.011 -4.228 3.228 1.00 10.00 H new ATOM 0 HB3 SER A 30 8.990 -5.155 2.146 1.00 10.00 H new ATOM 0 HG SER A 30 11.239 -5.693 1.909 1.00 10.00 H new ATOM 429 N VAL A 31 6.992 -2.341 1.763 1.00 10.00 N ATOM 430 CA VAL A 31 5.874 -1.723 2.431 1.00 10.00 C ATOM 431 C VAL A 31 4.695 -2.682 2.564 1.00 10.00 C ATOM 432 O VAL A 31 4.486 -3.566 1.741 1.00 10.00 O ATOM 433 CB VAL A 31 5.430 -0.425 1.698 1.00 10.00 C ATOM 434 CG1 VAL A 31 6.617 0.275 1.041 1.00 10.00 C ATOM 435 CG2 VAL A 31 4.337 -0.700 0.667 1.00 10.00 C ATOM 0 H VAL A 31 6.801 -2.653 0.811 1.00 10.00 H new ATOM 0 HA VAL A 31 6.209 -1.459 3.434 1.00 10.00 H new ATOM 0 HB VAL A 31 5.015 0.239 2.456 1.00 10.00 H new ATOM 0 HG11 VAL A 31 6.273 1.178 0.537 1.00 10.00 H new ATOM 0 HG12 VAL A 31 7.350 0.541 1.803 1.00 10.00 H new ATOM 0 HG13 VAL A 31 7.077 -0.394 0.313 1.00 10.00 H new ATOM 0 HG21 VAL A 31 4.055 0.232 0.178 1.00 10.00 H new ATOM 0 HG22 VAL A 31 4.709 -1.403 -0.078 1.00 10.00 H new ATOM 0 HG23 VAL A 31 3.466 -1.126 1.165 1.00 10.00 H new ATOM 445 N THR A 32 3.955 -2.500 3.633 1.00 10.00 N ATOM 446 CA THR A 32 2.751 -3.263 3.908 1.00 10.00 C ATOM 447 C THR A 32 1.592 -2.299 4.179 1.00 10.00 C ATOM 448 O THR A 32 1.821 -1.131 4.471 1.00 10.00 O ATOM 449 CB THR A 32 2.949 -4.244 5.104 1.00 10.00 C ATOM 450 OG1 THR A 32 1.786 -4.282 5.936 1.00 10.00 O ATOM 451 CG2 THR A 32 4.148 -3.878 5.962 1.00 10.00 C ATOM 0 H THR A 32 4.173 -1.808 4.350 1.00 10.00 H new ATOM 0 HA THR A 32 2.520 -3.872 3.034 1.00 10.00 H new ATOM 0 HB THR A 32 3.124 -5.225 4.663 1.00 10.00 H new ATOM 0 HG1 THR A 32 1.934 -4.905 6.678 1.00 10.00 H new ATOM 0 HG21 THR A 32 4.241 -4.592 6.780 1.00 10.00 H new ATOM 0 HG22 THR A 32 5.052 -3.903 5.354 1.00 10.00 H new ATOM 0 HG23 THR A 32 4.012 -2.876 6.369 1.00 10.00 H new ATOM 459 N VAL A 33 0.358 -2.773 4.067 1.00 10.00 N ATOM 460 CA VAL A 33 -0.809 -1.920 4.267 1.00 10.00 C ATOM 461 C VAL A 33 -1.866 -2.599 5.116 1.00 10.00 C ATOM 462 O VAL A 33 -2.149 -3.785 4.957 1.00 10.00 O ATOM 463 CB VAL A 33 -1.464 -1.488 2.942 1.00 10.00 C ATOM 464 CG1 VAL A 33 -1.203 -0.022 2.666 1.00 10.00 C ATOM 465 CG2 VAL A 33 -0.957 -2.335 1.801 1.00 10.00 C ATOM 0 H VAL A 33 0.138 -3.743 3.839 1.00 10.00 H new ATOM 0 HA VAL A 33 -0.430 -1.037 4.781 1.00 10.00 H new ATOM 0 HB VAL A 33 -2.541 -1.633 3.032 1.00 10.00 H new ATOM 0 HG11 VAL A 33 -1.675 0.261 1.725 1.00 10.00 H new ATOM 0 HG12 VAL A 33 -1.617 0.580 3.475 1.00 10.00 H new ATOM 0 HG13 VAL A 33 -0.129 0.150 2.599 1.00 10.00 H new ATOM 0 HG21 VAL A 33 -1.430 -2.016 0.873 1.00 10.00 H new ATOM 0 HG22 VAL A 33 0.124 -2.221 1.715 1.00 10.00 H new ATOM 0 HG23 VAL A 33 -1.197 -3.381 1.990 1.00 10.00 H new ATOM 475 N GLU A 34 -2.446 -1.817 6.003 1.00 10.00 N ATOM 476 CA GLU A 34 -3.480 -2.284 6.901 1.00 10.00 C ATOM 477 C GLU A 34 -4.841 -1.850 6.369 1.00 10.00 C ATOM 478 O GLU A 34 -5.075 -0.659 6.179 1.00 10.00 O ATOM 479 CB GLU A 34 -3.224 -1.678 8.280 1.00 10.00 C ATOM 480 CG GLU A 34 -4.240 -2.077 9.336 1.00 10.00 C ATOM 481 CD GLU A 34 -4.256 -3.566 9.599 1.00 10.00 C ATOM 482 OE1 GLU A 34 -4.873 -4.307 8.805 1.00 10.00 O ATOM 483 OE2 GLU A 34 -3.632 -4.005 10.585 1.00 10.00 O ATOM 0 H GLU A 34 -2.211 -0.832 6.121 1.00 10.00 H new ATOM 0 HA GLU A 34 -3.468 -3.372 6.974 1.00 10.00 H new ATOM 0 HB2 GLU A 34 -2.231 -1.976 8.617 1.00 10.00 H new ATOM 0 HB3 GLU A 34 -3.217 -0.592 8.191 1.00 10.00 H new ATOM 0 HG2 GLU A 34 -4.018 -1.551 10.264 1.00 10.00 H new ATOM 0 HG3 GLU A 34 -5.233 -1.758 9.018 1.00 10.00 H new ATOM 490 N TYR A 35 -5.721 -2.799 6.090 1.00 10.00 N ATOM 491 CA TYR A 35 -7.030 -2.455 5.554 1.00 10.00 C ATOM 492 C TYR A 35 -8.096 -2.475 6.632 1.00 10.00 C ATOM 493 O TYR A 35 -7.936 -3.100 7.674 1.00 10.00 O ATOM 494 CB TYR A 35 -7.467 -3.396 4.424 1.00 10.00 C ATOM 495 CG TYR A 35 -6.439 -3.593 3.346 1.00 10.00 C ATOM 496 CD1 TYR A 35 -5.488 -4.597 3.442 1.00 10.00 C ATOM 497 CD2 TYR A 35 -6.430 -2.777 2.231 1.00 10.00 C ATOM 498 CE1 TYR A 35 -4.550 -4.779 2.449 1.00 10.00 C ATOM 499 CE2 TYR A 35 -5.497 -2.952 1.232 1.00 10.00 C ATOM 500 CZ TYR A 35 -4.562 -3.952 1.346 1.00 10.00 C ATOM 501 OH TYR A 35 -3.634 -4.124 0.355 1.00 10.00 O ATOM 0 H TYR A 35 -5.558 -3.797 6.223 1.00 10.00 H new ATOM 0 HA TYR A 35 -6.926 -1.447 5.154 1.00 10.00 H new ATOM 0 HB2 TYR A 35 -7.717 -4.367 4.852 1.00 10.00 H new ATOM 0 HB3 TYR A 35 -8.378 -3.003 3.973 1.00 10.00 H new ATOM 0 HD1 TYR A 35 -5.482 -5.245 4.306 1.00 10.00 H new ATOM 0 HD2 TYR A 35 -7.165 -1.991 2.141 1.00 10.00 H new ATOM 0 HE1 TYR A 35 -3.812 -5.563 2.534 1.00 10.00 H new ATOM 0 HE2 TYR A 35 -5.501 -2.307 0.365 1.00 10.00 H new ATOM 0 HH TYR A 35 -4.090 -4.319 -0.490 1.00 10.00 H new ATOM 511 N THR A 36 -9.180 -1.775 6.347 1.00 10.00 N ATOM 512 CA THR A 36 -10.381 -1.793 7.167 1.00 10.00 C ATOM 513 C THR A 36 -10.833 -3.221 7.523 1.00 10.00 C ATOM 514 O THR A 36 -11.330 -3.462 8.620 1.00 10.00 O ATOM 515 CB THR A 36 -11.513 -1.028 6.440 1.00 10.00 C ATOM 516 OG1 THR A 36 -11.198 0.368 6.408 1.00 10.00 O ATOM 517 CG2 THR A 36 -12.873 -1.237 7.101 1.00 10.00 C ATOM 0 H THR A 36 -9.253 -1.170 5.529 1.00 10.00 H new ATOM 0 HA THR A 36 -10.147 -1.298 8.110 1.00 10.00 H new ATOM 0 HB THR A 36 -11.583 -1.424 5.427 1.00 10.00 H new ATOM 0 HG1 THR A 36 -12.023 0.888 6.313 1.00 10.00 H new ATOM 0 HG21 THR A 36 -13.633 -0.680 6.554 1.00 10.00 H new ATOM 0 HG22 THR A 36 -13.123 -2.298 7.091 1.00 10.00 H new ATOM 0 HG23 THR A 36 -12.835 -0.883 8.131 1.00 10.00 H new ATOM 525 N HIS A 37 -10.647 -4.171 6.611 1.00 10.00 N ATOM 526 CA HIS A 37 -10.986 -5.561 6.906 1.00 10.00 C ATOM 527 C HIS A 37 -9.717 -6.354 7.193 1.00 10.00 C ATOM 528 O HIS A 37 -9.340 -6.528 8.352 1.00 10.00 O ATOM 529 CB HIS A 37 -11.775 -6.208 5.763 1.00 10.00 C ATOM 530 CG HIS A 37 -13.220 -5.814 5.701 1.00 10.00 C ATOM 531 ND1 HIS A 37 -14.229 -6.582 6.237 1.00 10.00 N ATOM 532 CD2 HIS A 37 -13.826 -4.749 5.128 1.00 10.00 C ATOM 533 CE1 HIS A 37 -15.391 -6.011 5.994 1.00 10.00 C ATOM 534 NE2 HIS A 37 -15.178 -4.896 5.320 1.00 10.00 N ATOM 0 H HIS A 37 -10.270 -4.009 5.677 1.00 10.00 H new ATOM 0 HA HIS A 37 -11.625 -5.571 7.789 1.00 10.00 H new ATOM 0 HB2 HIS A 37 -11.300 -5.947 4.818 1.00 10.00 H new ATOM 0 HB3 HIS A 37 -11.711 -7.292 5.863 1.00 10.00 H new ATOM 0 HD2 HIS A 37 -13.337 -3.934 4.615 1.00 10.00 H new ATOM 0 HE1 HIS A 37 -16.356 -6.391 6.296 1.00 10.00 H new ATOM 0 HE2 HIS A 37 -15.898 -4.251 4.996 1.00 10.00 H new ATOM 543 N GLY A 38 -9.055 -6.821 6.142 1.00 10.00 N ATOM 544 CA GLY A 38 -7.797 -7.516 6.322 1.00 10.00 C ATOM 545 C GLY A 38 -7.491 -8.484 5.195 1.00 10.00 C ATOM 546 O GLY A 38 -7.172 -9.648 5.441 1.00 10.00 O ATOM 0 H GLY A 38 -9.365 -6.731 5.174 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -6.991 -6.785 6.396 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -7.820 -8.061 7.266 1.00 10.00 H new ATOM 550 N GLN A 39 -7.602 -8.014 3.956 1.00 10.00 N ATOM 551 CA GLN A 39 -7.206 -8.817 2.802 1.00 10.00 C ATOM 552 C GLN A 39 -5.701 -9.046 2.816 1.00 10.00 C ATOM 553 O GLN A 39 -4.952 -8.238 3.372 1.00 10.00 O ATOM 554 CB GLN A 39 -7.610 -8.134 1.486 1.00 10.00 C ATOM 555 CG GLN A 39 -9.065 -8.339 1.101 1.00 10.00 C ATOM 556 CD GLN A 39 -9.426 -9.803 0.942 1.00 10.00 C ATOM 557 OE1 GLN A 39 -8.584 -10.638 0.615 1.00 10.00 O ATOM 558 NE2 GLN A 39 -10.694 -10.116 1.149 1.00 10.00 N ATOM 0 H GLN A 39 -7.960 -7.087 3.725 1.00 10.00 H new ATOM 0 HA GLN A 39 -7.722 -9.775 2.867 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -7.415 -7.065 1.569 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -6.976 -8.512 0.684 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -9.705 -7.892 1.862 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -9.267 -7.815 0.167 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -11.360 -9.393 1.419 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -11.006 -11.081 1.039 1.00 10.00 H new ATOM 567 N TRP A 40 -5.251 -10.139 2.216 1.00 10.00 N ATOM 568 CA TRP A 40 -3.826 -10.403 2.141 1.00 10.00 C ATOM 569 C TRP A 40 -3.211 -9.496 1.077 1.00 10.00 C ATOM 570 O TRP A 40 -3.781 -9.324 -0.004 1.00 10.00 O ATOM 571 CB TRP A 40 -3.540 -11.885 1.854 1.00 10.00 C ATOM 572 CG TRP A 40 -3.778 -12.296 0.433 1.00 10.00 C ATOM 573 CD1 TRP A 40 -2.882 -12.206 -0.590 1.00 10.00 C ATOM 574 CD2 TRP A 40 -4.968 -12.874 -0.124 1.00 10.00 C ATOM 575 NE1 TRP A 40 -3.442 -12.663 -1.750 1.00 10.00 N ATOM 576 CE2 TRP A 40 -4.720 -13.089 -1.492 1.00 10.00 C ATOM 577 CE3 TRP A 40 -6.219 -13.229 0.398 1.00 10.00 C ATOM 578 CZ2 TRP A 40 -5.673 -13.639 -2.344 1.00 10.00 C ATOM 579 CZ3 TRP A 40 -7.162 -13.776 -0.449 1.00 10.00 C ATOM 580 CH2 TRP A 40 -6.885 -13.979 -1.807 1.00 10.00 C ATOM 0 H TRP A 40 -5.844 -10.846 1.781 1.00 10.00 H new ATOM 0 HA TRP A 40 -3.370 -10.184 3.106 1.00 10.00 H new ATOM 0 HB2 TRP A 40 -2.503 -12.099 2.113 1.00 10.00 H new ATOM 0 HB3 TRP A 40 -4.164 -12.496 2.506 1.00 10.00 H new ATOM 0 HD1 TRP A 40 -1.875 -11.828 -0.497 1.00 10.00 H new ATOM 0 HE1 TRP A 40 -2.983 -12.684 -2.661 1.00 10.00 H new ATOM 0 HE3 TRP A 40 -6.441 -13.077 1.444 1.00 10.00 H new ATOM 0 HZ2 TRP A 40 -5.463 -13.792 -3.392 1.00 10.00 H new ATOM 0 HZ3 TRP A 40 -8.130 -14.052 -0.058 1.00 10.00 H new ATOM 0 HH2 TRP A 40 -7.643 -14.412 -2.443 1.00 10.00 H new ATOM 591 N ALA A 41 -2.058 -8.922 1.405 1.00 10.00 N ATOM 592 CA ALA A 41 -1.416 -7.878 0.603 1.00 10.00 C ATOM 593 C ALA A 41 -0.305 -7.176 1.389 1.00 10.00 C ATOM 594 O ALA A 41 0.737 -6.884 0.812 1.00 10.00 O ATOM 595 CB ALA A 41 -2.410 -6.831 0.124 1.00 10.00 C ATOM 0 H ALA A 41 -1.534 -9.169 2.245 1.00 10.00 H new ATOM 0 HA ALA A 41 -0.990 -8.383 -0.264 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -1.889 -6.077 -0.466 1.00 10.00 H new ATOM 0 HB2 ALA A 41 -3.174 -7.308 -0.490 1.00 10.00 H new ATOM 0 HB3 ALA A 41 -2.881 -6.356 0.985 1.00 10.00 H new ATOM 601 N PRO A 42 -0.533 -6.851 2.703 1.00 10.00 N ATOM 602 CA PRO A 42 0.455 -6.185 3.578 1.00 10.00 C ATOM 603 C PRO A 42 1.866 -6.804 3.568 1.00 10.00 C ATOM 604 O PRO A 42 2.251 -7.467 4.529 1.00 10.00 O ATOM 605 CB PRO A 42 -0.162 -6.311 4.996 1.00 10.00 C ATOM 606 CG PRO A 42 -1.332 -7.219 4.848 1.00 10.00 C ATOM 607 CD PRO A 42 -1.795 -7.041 3.440 1.00 10.00 C ATOM 0 HA PRO A 42 0.619 -5.164 3.233 1.00 10.00 H new ATOM 0 HB2 PRO A 42 0.562 -6.717 5.703 1.00 10.00 H new ATOM 0 HB3 PRO A 42 -0.468 -5.337 5.377 1.00 10.00 H new ATOM 0 HG2 PRO A 42 -1.053 -8.255 5.042 1.00 10.00 H new ATOM 0 HG3 PRO A 42 -2.120 -6.963 5.556 1.00 10.00 H new ATOM 0 HD2 PRO A 42 -2.345 -7.911 3.082 1.00 10.00 H new ATOM 0 HD3 PRO A 42 -2.457 -6.181 3.337 1.00 10.00 H new ATOM 615 N CYS A 43 2.589 -6.608 2.457 1.00 10.00 N ATOM 616 CA CYS A 43 4.034 -6.851 2.343 1.00 10.00 C ATOM 617 C CYS A 43 4.445 -6.904 0.875 1.00 10.00 C ATOM 618 O CYS A 43 4.290 -7.928 0.208 1.00 10.00 O ATOM 619 CB CYS A 43 4.490 -8.127 3.052 1.00 10.00 C ATOM 620 SG CYS A 43 5.409 -7.807 4.594 1.00 10.00 S ATOM 0 H CYS A 43 2.174 -6.267 1.590 1.00 10.00 H new ATOM 0 HA CYS A 43 4.527 -6.017 2.842 1.00 10.00 H new ATOM 0 HB2 CYS A 43 3.618 -8.740 3.278 1.00 10.00 H new ATOM 0 HB3 CYS A 43 5.119 -8.705 2.375 1.00 10.00 H new ATOM 625 N ARG A 44 4.953 -5.789 0.373 1.00 10.00 N ATOM 626 CA ARG A 44 5.380 -5.684 -1.009 1.00 10.00 C ATOM 627 C ARG A 44 6.509 -4.664 -1.102 1.00 10.00 C ATOM 628 O ARG A 44 6.365 -3.536 -0.633 1.00 10.00 O ATOM 629 CB ARG A 44 4.200 -5.248 -1.894 1.00 10.00 C ATOM 630 CG ARG A 44 4.103 -5.977 -3.238 1.00 10.00 C ATOM 631 CD ARG A 44 5.110 -5.485 -4.300 1.00 10.00 C ATOM 632 NE ARG A 44 5.567 -6.585 -5.154 1.00 10.00 N ATOM 633 CZ ARG A 44 6.569 -6.500 -6.028 1.00 10.00 C ATOM 634 NH1 ARG A 44 7.332 -5.412 -6.077 1.00 10.00 N ATOM 635 NH2 ARG A 44 6.824 -7.526 -6.832 1.00 10.00 N ATOM 0 H ARG A 44 5.080 -4.933 0.914 1.00 10.00 H new ATOM 0 HA ARG A 44 5.734 -6.654 -1.358 1.00 10.00 H new ATOM 0 HB2 ARG A 44 3.273 -5.406 -1.343 1.00 10.00 H new ATOM 0 HB3 ARG A 44 4.281 -4.177 -2.082 1.00 10.00 H new ATOM 0 HG2 ARG A 44 4.259 -7.043 -3.072 1.00 10.00 H new ATOM 0 HG3 ARG A 44 3.093 -5.860 -3.630 1.00 10.00 H new ATOM 0 HD2 ARG A 44 4.645 -4.714 -4.915 1.00 10.00 H new ATOM 0 HD3 ARG A 44 5.966 -5.026 -3.806 1.00 10.00 H new ATOM 0 HE ARG A 44 5.083 -7.479 -5.073 1.00 10.00 H new ATOM 0 HH11 ARG A 44 7.152 -4.634 -5.442 1.00 10.00 H new ATOM 0 HH12 ARG A 44 8.097 -5.355 -6.749 1.00 10.00 H new ATOM 0 HH21 ARG A 44 6.255 -8.371 -6.777 1.00 10.00 H new ATOM 0 HH22 ARG A 44 7.589 -7.469 -7.504 1.00 10.00 H new ATOM 649 N VAL A 45 7.629 -5.051 -1.684 1.00 10.00 N ATOM 650 CA VAL A 45 8.753 -4.138 -1.822 1.00 10.00 C ATOM 651 C VAL A 45 8.548 -3.205 -3.009 1.00 10.00 C ATOM 652 O VAL A 45 8.083 -3.617 -4.075 1.00 10.00 O ATOM 653 CB VAL A 45 10.109 -4.889 -1.928 1.00 10.00 C ATOM 654 CG1 VAL A 45 9.970 -6.141 -2.771 1.00 10.00 C ATOM 655 CG2 VAL A 45 11.207 -3.990 -2.488 1.00 10.00 C ATOM 0 H VAL A 45 7.786 -5.983 -2.067 1.00 10.00 H new ATOM 0 HA VAL A 45 8.795 -3.536 -0.914 1.00 10.00 H new ATOM 0 HB VAL A 45 10.398 -5.180 -0.918 1.00 10.00 H new ATOM 0 HG11 VAL A 45 10.933 -6.649 -2.830 1.00 10.00 H new ATOM 0 HG12 VAL A 45 9.236 -6.806 -2.316 1.00 10.00 H new ATOM 0 HG13 VAL A 45 9.641 -5.870 -3.774 1.00 10.00 H new ATOM 0 HG21 VAL A 45 12.140 -4.550 -2.547 1.00 10.00 H new ATOM 0 HG22 VAL A 45 10.925 -3.648 -3.484 1.00 10.00 H new ATOM 0 HG23 VAL A 45 11.341 -3.129 -1.833 1.00 10.00 H new ATOM 665 N ILE A 46 8.871 -1.942 -2.795 1.00 10.00 N ATOM 666 CA ILE A 46 8.697 -0.916 -3.780 1.00 10.00 C ATOM 667 C ILE A 46 9.991 -0.708 -4.518 1.00 10.00 C ATOM 668 O ILE A 46 11.077 -0.855 -3.955 1.00 10.00 O ATOM 669 CB ILE A 46 8.288 0.426 -3.123 1.00 10.00 C ATOM 670 CG1 ILE A 46 7.188 1.105 -3.921 1.00 10.00 C ATOM 671 CG2 ILE A 46 9.482 1.355 -2.962 1.00 10.00 C ATOM 672 CD1 ILE A 46 5.809 0.580 -3.584 1.00 10.00 C ATOM 0 H ILE A 46 9.266 -1.606 -1.917 1.00 10.00 H new ATOM 0 HA ILE A 46 7.908 -1.233 -4.462 1.00 10.00 H new ATOM 0 HB ILE A 46 7.905 0.200 -2.128 1.00 10.00 H new ATOM 0 HG12 ILE A 46 7.219 2.178 -3.733 1.00 10.00 H new ATOM 0 HG13 ILE A 46 7.376 0.962 -4.985 1.00 10.00 H new ATOM 0 HG21 ILE A 46 9.158 2.287 -2.498 1.00 10.00 H new ATOM 0 HG22 ILE A 46 10.232 0.877 -2.332 1.00 10.00 H new ATOM 0 HG23 ILE A 46 9.912 1.568 -3.941 1.00 10.00 H new ATOM 0 HD11 ILE A 46 5.064 1.102 -4.185 1.00 10.00 H new ATOM 0 HD12 ILE A 46 5.764 -0.488 -3.798 1.00 10.00 H new ATOM 0 HD13 ILE A 46 5.604 0.747 -2.527 1.00 10.00 H new ATOM 684 N GLU A 47 9.868 -0.400 -5.774 1.00 10.00 N ATOM 685 CA GLU A 47 10.993 0.038 -6.547 1.00 10.00 C ATOM 686 C GLU A 47 11.110 1.542 -6.385 1.00 10.00 C ATOM 687 O GLU A 47 10.094 2.220 -6.261 1.00 10.00 O ATOM 688 CB GLU A 47 10.810 -0.402 -7.998 1.00 10.00 C ATOM 689 CG GLU A 47 10.430 -1.869 -8.071 1.00 10.00 C ATOM 690 CD GLU A 47 10.429 -2.440 -9.475 1.00 10.00 C ATOM 691 OE1 GLU A 47 11.505 -2.484 -10.100 1.00 10.00 O ATOM 692 OE2 GLU A 47 9.360 -2.893 -9.936 1.00 10.00 O ATOM 0 H GLU A 47 8.990 -0.445 -6.291 1.00 10.00 H new ATOM 0 HA GLU A 47 11.926 -0.410 -6.204 1.00 10.00 H new ATOM 0 HB2 GLU A 47 10.037 0.203 -8.472 1.00 10.00 H new ATOM 0 HB3 GLU A 47 11.732 -0.232 -8.554 1.00 10.00 H new ATOM 0 HG2 GLU A 47 11.124 -2.444 -7.457 1.00 10.00 H new ATOM 0 HG3 GLU A 47 9.438 -1.998 -7.637 1.00 10.00 H new ATOM 699 N PRO A 48 12.336 2.059 -6.270 1.00 10.00 N ATOM 700 CA PRO A 48 12.594 3.492 -6.162 1.00 10.00 C ATOM 701 C PRO A 48 11.765 4.325 -7.136 1.00 10.00 C ATOM 702 O PRO A 48 12.129 4.476 -8.304 1.00 10.00 O ATOM 703 CB PRO A 48 14.074 3.618 -6.508 1.00 10.00 C ATOM 704 CG PRO A 48 14.679 2.273 -6.277 1.00 10.00 C ATOM 705 CD PRO A 48 13.563 1.266 -6.190 1.00 10.00 C ATOM 0 HA PRO A 48 12.330 3.864 -5.172 1.00 10.00 H new ATOM 0 HB2 PRO A 48 14.205 3.930 -7.544 1.00 10.00 H new ATOM 0 HB3 PRO A 48 14.555 4.372 -5.885 1.00 10.00 H new ATOM 0 HG2 PRO A 48 15.360 2.017 -7.089 1.00 10.00 H new ATOM 0 HG3 PRO A 48 15.265 2.272 -5.358 1.00 10.00 H new ATOM 0 HD2 PRO A 48 13.620 0.542 -7.003 1.00 10.00 H new ATOM 0 HD3 PRO A 48 13.610 0.703 -5.258 1.00 10.00 H new ATOM 713 N GLY A 49 10.638 4.839 -6.662 1.00 10.00 N ATOM 714 CA GLY A 49 9.811 5.682 -7.507 1.00 10.00 C ATOM 715 C GLY A 49 8.637 4.931 -8.105 1.00 10.00 C ATOM 716 O GLY A 49 7.893 5.479 -8.919 1.00 10.00 O ATOM 0 H GLY A 49 10.283 4.690 -5.717 1.00 10.00 H new ATOM 0 HA2 GLY A 49 9.440 6.524 -6.923 1.00 10.00 H new ATOM 0 HA3 GLY A 49 10.421 6.096 -8.310 1.00 10.00 H new ATOM 720 N GLY A 50 8.469 3.678 -7.694 1.00 10.00 N ATOM 721 CA GLY A 50 7.417 2.848 -8.230 1.00 10.00 C ATOM 722 C GLY A 50 6.158 2.871 -7.393 1.00 10.00 C ATOM 723 O GLY A 50 6.046 3.644 -6.439 1.00 10.00 O ATOM 0 H GLY A 50 9.052 3.223 -6.991 1.00 10.00 H new ATOM 0 HA2 GLY A 50 7.180 3.180 -9.241 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.776 1.822 -8.307 1.00 10.00 H new ATOM 727 N TRP A 51 5.226 1.999 -7.746 1.00 10.00 N ATOM 728 CA TRP A 51 3.945 1.895 -7.064 1.00 10.00 C ATOM 729 C TRP A 51 3.756 0.511 -6.469 1.00 10.00 C ATOM 730 O TRP A 51 4.494 -0.427 -6.774 1.00 10.00 O ATOM 731 CB TRP A 51 2.785 2.181 -8.029 1.00 10.00 C ATOM 732 CG TRP A 51 2.447 3.635 -8.196 1.00 10.00 C ATOM 733 CD1 TRP A 51 3.209 4.706 -7.844 1.00 10.00 C ATOM 734 CD2 TRP A 51 1.244 4.175 -8.762 1.00 10.00 C ATOM 735 NE1 TRP A 51 2.562 5.871 -8.177 1.00 10.00 N ATOM 736 CE2 TRP A 51 1.356 5.573 -8.735 1.00 10.00 C ATOM 737 CE3 TRP A 51 0.085 3.612 -9.288 1.00 10.00 C ATOM 738 CZ2 TRP A 51 0.359 6.416 -9.221 1.00 10.00 C ATOM 739 CZ3 TRP A 51 -0.908 4.446 -9.771 1.00 10.00 C ATOM 740 CH2 TRP A 51 -0.766 5.835 -9.733 1.00 10.00 C ATOM 0 H TRP A 51 5.337 1.341 -8.517 1.00 10.00 H new ATOM 0 HA TRP A 51 3.944 2.636 -6.265 1.00 10.00 H new ATOM 0 HB2 TRP A 51 3.033 1.766 -9.006 1.00 10.00 H new ATOM 0 HB3 TRP A 51 1.898 1.655 -7.675 1.00 10.00 H new ATOM 0 HD1 TRP A 51 4.179 4.649 -7.373 1.00 10.00 H new ATOM 0 HE1 TRP A 51 2.928 6.812 -8.029 1.00 10.00 H new ATOM 0 HE3 TRP A 51 -0.038 2.539 -9.319 1.00 10.00 H new ATOM 0 HZ2 TRP A 51 0.472 7.490 -9.194 1.00 10.00 H new ATOM 0 HZ3 TRP A 51 -1.808 4.016 -10.184 1.00 10.00 H new ATOM 0 HH2 TRP A 51 -1.559 6.460 -10.115 1.00 10.00 H new ATOM 751 N ALA A 52 2.756 0.412 -5.621 1.00 10.00 N ATOM 752 CA ALA A 52 2.305 -0.844 -5.082 1.00 10.00 C ATOM 753 C ALA A 52 0.798 -0.771 -4.982 1.00 10.00 C ATOM 754 O ALA A 52 0.252 0.063 -4.262 1.00 10.00 O ATOM 755 CB ALA A 52 2.939 -1.130 -3.726 1.00 10.00 C ATOM 0 H ALA A 52 2.228 1.217 -5.284 1.00 10.00 H new ATOM 0 HA ALA A 52 2.604 -1.665 -5.733 1.00 10.00 H new ATOM 0 HB1 ALA A 52 2.576 -2.086 -3.349 1.00 10.00 H new ATOM 0 HB2 ALA A 52 4.023 -1.170 -3.832 1.00 10.00 H new ATOM 0 HB3 ALA A 52 2.672 -0.339 -3.025 1.00 10.00 H new ATOM 761 N THR A 53 0.138 -1.597 -5.761 1.00 10.00 N ATOM 762 CA THR A 53 -1.306 -1.579 -5.856 1.00 10.00 C ATOM 763 C THR A 53 -1.917 -2.327 -4.699 1.00 10.00 C ATOM 764 O THR A 53 -1.548 -3.470 -4.421 1.00 10.00 O ATOM 765 CB THR A 53 -1.752 -2.242 -7.168 1.00 10.00 C ATOM 766 OG1 THR A 53 -1.039 -1.679 -8.277 1.00 10.00 O ATOM 767 CG2 THR A 53 -3.256 -2.097 -7.380 1.00 10.00 C ATOM 0 H THR A 53 0.586 -2.301 -6.347 1.00 10.00 H new ATOM 0 HA THR A 53 -1.639 -0.541 -5.833 1.00 10.00 H new ATOM 0 HB THR A 53 -1.523 -3.306 -7.100 1.00 10.00 H new ATOM 0 HG1 THR A 53 -1.517 -0.890 -8.606 1.00 10.00 H new ATOM 0 HG21 THR A 53 -3.539 -2.577 -8.317 1.00 10.00 H new ATOM 0 HG22 THR A 53 -3.787 -2.571 -6.555 1.00 10.00 H new ATOM 0 HG23 THR A 53 -3.518 -1.040 -7.420 1.00 10.00 H new ATOM 775 N PHE A 54 -2.860 -1.686 -4.039 1.00 10.00 N ATOM 776 CA PHE A 54 -3.507 -2.286 -2.900 1.00 10.00 C ATOM 777 C PHE A 54 -4.988 -2.008 -2.986 1.00 10.00 C ATOM 778 O PHE A 54 -5.390 -0.932 -3.430 1.00 10.00 O ATOM 779 CB PHE A 54 -2.894 -1.771 -1.584 1.00 10.00 C ATOM 780 CG PHE A 54 -1.451 -2.161 -1.412 1.00 10.00 C ATOM 781 CD1 PHE A 54 -1.074 -3.493 -1.385 1.00 10.00 C ATOM 782 CD2 PHE A 54 -0.469 -1.189 -1.275 1.00 10.00 C ATOM 783 CE1 PHE A 54 0.252 -3.842 -1.225 1.00 10.00 C ATOM 784 CE2 PHE A 54 0.855 -1.536 -1.112 1.00 10.00 C ATOM 785 CZ PHE A 54 1.211 -2.895 -1.101 1.00 10.00 C ATOM 0 H PHE A 54 -3.192 -0.751 -4.275 1.00 10.00 H new ATOM 0 HA PHE A 54 -3.352 -3.365 -2.908 1.00 10.00 H new ATOM 0 HB2 PHE A 54 -2.977 -0.685 -1.552 1.00 10.00 H new ATOM 0 HB3 PHE A 54 -3.471 -2.159 -0.745 1.00 10.00 H new ATOM 0 HD1 PHE A 54 -1.823 -4.264 -1.490 1.00 10.00 H new ATOM 0 HD2 PHE A 54 -0.747 -0.146 -1.296 1.00 10.00 H new ATOM 0 HE1 PHE A 54 0.528 -4.886 -1.198 1.00 10.00 H new ATOM 0 HE2 PHE A 54 1.610 -0.772 -0.994 1.00 10.00 H new ATOM 0 HZ PHE A 54 2.246 -3.183 -0.994 1.00 10.00 H new ATOM 795 N ALA A 55 -5.785 -3.001 -2.617 1.00 10.00 N ATOM 796 CA ALA A 55 -7.228 -2.921 -2.757 1.00 10.00 C ATOM 797 C ALA A 55 -7.770 -1.689 -2.061 1.00 10.00 C ATOM 798 O ALA A 55 -7.801 -1.618 -0.830 1.00 10.00 O ATOM 799 CB ALA A 55 -7.887 -4.184 -2.212 1.00 10.00 C ATOM 0 H ALA A 55 -5.451 -3.877 -2.216 1.00 10.00 H new ATOM 0 HA ALA A 55 -7.465 -2.840 -3.818 1.00 10.00 H new ATOM 0 HB1 ALA A 55 -8.968 -4.108 -2.325 1.00 10.00 H new ATOM 0 HB2 ALA A 55 -7.525 -5.051 -2.765 1.00 10.00 H new ATOM 0 HB3 ALA A 55 -7.639 -4.297 -1.157 1.00 10.00 H new ATOM 805 N GLY A 56 -8.158 -0.704 -2.867 1.00 10.00 N ATOM 806 CA GLY A 56 -8.701 0.518 -2.330 1.00 10.00 C ATOM 807 C GLY A 56 -10.060 0.298 -1.689 1.00 10.00 C ATOM 808 O GLY A 56 -10.511 -0.843 -1.548 1.00 10.00 O ATOM 0 H GLY A 56 -8.103 -0.737 -3.885 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.013 0.928 -1.591 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -8.790 1.257 -3.126 1.00 10.00 H new ATOM 812 N TYR A 57 -10.740 1.374 -1.325 1.00 10.00 N ATOM 813 CA TYR A 57 -12.007 1.254 -0.627 1.00 10.00 C ATOM 814 C TYR A 57 -13.171 1.042 -1.604 1.00 10.00 C ATOM 815 O TYR A 57 -14.063 1.883 -1.758 1.00 10.00 O ATOM 816 CB TYR A 57 -12.228 2.467 0.285 1.00 10.00 C ATOM 817 CG TYR A 57 -12.521 3.783 -0.423 1.00 10.00 C ATOM 818 CD1 TYR A 57 -11.609 4.346 -1.313 1.00 10.00 C ATOM 819 CD2 TYR A 57 -13.712 4.465 -0.191 1.00 10.00 C ATOM 820 CE1 TYR A 57 -11.875 5.546 -1.946 1.00 10.00 C ATOM 821 CE2 TYR A 57 -13.984 5.661 -0.822 1.00 10.00 C ATOM 822 CZ TYR A 57 -13.066 6.199 -1.695 1.00 10.00 C ATOM 823 OH TYR A 57 -13.342 7.397 -2.315 1.00 10.00 O ATOM 0 H TYR A 57 -10.438 2.332 -1.500 1.00 10.00 H new ATOM 0 HA TYR A 57 -11.971 0.366 0.004 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -13.056 2.246 0.958 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.341 2.599 0.904 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -10.678 3.836 -1.512 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -14.436 4.050 0.495 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -11.157 5.970 -2.632 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -14.915 6.174 -0.631 1.00 10.00 H new ATOM 0 HH TYR A 57 -14.222 7.719 -2.027 1.00 10.00 H new ATOM 887 N TYR A 63 -10.304 -0.960 2.894 1.00 10.00 N ATOM 888 CA TYR A 63 -9.868 0.431 2.856 1.00 10.00 C ATOM 889 C TYR A 63 -8.552 0.515 3.598 1.00 10.00 C ATOM 890 O TYR A 63 -8.511 0.316 4.808 1.00 10.00 O ATOM 891 CB TYR A 63 -10.935 1.346 3.494 1.00 10.00 C ATOM 892 CG TYR A 63 -10.542 2.812 3.681 1.00 10.00 C ATOM 893 CD1 TYR A 63 -9.668 3.207 4.687 1.00 10.00 C ATOM 894 CD2 TYR A 63 -11.076 3.802 2.866 1.00 10.00 C ATOM 895 CE1 TYR A 63 -9.335 4.539 4.869 1.00 10.00 C ATOM 896 CE2 TYR A 63 -10.747 5.133 3.040 1.00 10.00 C ATOM 897 CZ TYR A 63 -9.877 5.497 4.040 1.00 10.00 C ATOM 898 OH TYR A 63 -9.550 6.823 4.214 1.00 10.00 O ATOM 0 HA TYR A 63 -9.735 0.769 1.828 1.00 10.00 H new ATOM 0 HB2 TYR A 63 -11.833 1.308 2.877 1.00 10.00 H new ATOM 0 HB3 TYR A 63 -11.200 0.935 4.468 1.00 10.00 H new ATOM 0 HD1 TYR A 63 -9.240 2.460 5.340 1.00 10.00 H new ATOM 0 HD2 TYR A 63 -11.763 3.526 2.080 1.00 10.00 H new ATOM 0 HE1 TYR A 63 -8.654 4.825 5.657 1.00 10.00 H new ATOM 0 HE2 TYR A 63 -11.172 5.885 2.392 1.00 10.00 H new ATOM 0 HH TYR A 63 -9.157 7.174 3.388 1.00 10.00 H new ATOM 908 N VAL A 64 -7.472 0.728 2.870 1.00 10.00 N ATOM 909 CA VAL A 64 -6.164 0.800 3.485 1.00 10.00 C ATOM 910 C VAL A 64 -6.090 2.040 4.379 1.00 10.00 C ATOM 911 O VAL A 64 -6.456 3.143 3.965 1.00 10.00 O ATOM 912 CB VAL A 64 -5.014 0.784 2.432 1.00 10.00 C ATOM 913 CG1 VAL A 64 -5.560 0.575 1.020 1.00 10.00 C ATOM 914 CG2 VAL A 64 -4.175 2.048 2.499 1.00 10.00 C ATOM 0 H VAL A 64 -7.476 0.853 1.858 1.00 10.00 H new ATOM 0 HA VAL A 64 -6.024 -0.091 4.098 1.00 10.00 H new ATOM 0 HB VAL A 64 -4.367 -0.058 2.676 1.00 10.00 H new ATOM 0 HG11 VAL A 64 -4.735 0.568 0.308 1.00 10.00 H new ATOM 0 HG12 VAL A 64 -6.089 -0.377 0.972 1.00 10.00 H new ATOM 0 HG13 VAL A 64 -6.247 1.384 0.772 1.00 10.00 H new ATOM 0 HG21 VAL A 64 -3.384 2.000 1.751 1.00 10.00 H new ATOM 0 HG22 VAL A 64 -4.807 2.915 2.304 1.00 10.00 H new ATOM 0 HG23 VAL A 64 -3.731 2.138 3.490 1.00 10.00 H new ATOM 924 N THR A 65 -5.672 1.846 5.617 1.00 10.00 N ATOM 925 CA THR A 65 -5.640 2.938 6.570 1.00 10.00 C ATOM 926 C THR A 65 -4.228 3.193 7.069 1.00 10.00 C ATOM 927 O THR A 65 -3.887 4.317 7.448 1.00 10.00 O ATOM 928 CB THR A 65 -6.549 2.665 7.795 1.00 10.00 C ATOM 929 OG1 THR A 65 -6.050 1.541 8.532 1.00 10.00 O ATOM 930 CG2 THR A 65 -7.989 2.386 7.392 1.00 10.00 C ATOM 0 H THR A 65 -5.352 0.949 5.983 1.00 10.00 H new ATOM 0 HA THR A 65 -6.009 3.815 6.038 1.00 10.00 H new ATOM 0 HB THR A 65 -6.535 3.565 8.410 1.00 10.00 H new ATOM 0 HG1 THR A 65 -6.628 1.375 9.306 1.00 10.00 H new ATOM 0 HG21 THR A 65 -8.587 2.201 8.284 1.00 10.00 H new ATOM 0 HG22 THR A 65 -8.391 3.247 6.858 1.00 10.00 H new ATOM 0 HG23 THR A 65 -8.022 1.510 6.744 1.00 10.00 H new ATOM 938 N GLY A 66 -3.410 2.154 7.092 1.00 10.00 N ATOM 939 CA GLY A 66 -2.071 2.311 7.617 1.00 10.00 C ATOM 940 C GLY A 66 -1.028 1.574 6.815 1.00 10.00 C ATOM 941 O GLY A 66 -1.038 0.350 6.741 1.00 10.00 O ATOM 0 H GLY A 66 -3.644 1.218 6.762 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -1.819 3.371 7.641 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -2.047 1.954 8.647 1.00 10.00 H new ATOM 945 N LEU A 67 -0.131 2.327 6.212 1.00 10.00 N ATOM 946 CA LEU A 67 1.037 1.754 5.571 1.00 10.00 C ATOM 947 C LEU A 67 2.071 1.429 6.635 1.00 10.00 C ATOM 948 O LEU A 67 2.174 2.120 7.647 1.00 10.00 O ATOM 949 CB LEU A 67 1.641 2.717 4.540 1.00 10.00 C ATOM 950 CG LEU A 67 1.288 2.459 3.069 1.00 10.00 C ATOM 951 CD1 LEU A 67 1.637 3.677 2.244 1.00 10.00 C ATOM 952 CD2 LEU A 67 2.048 1.268 2.511 1.00 10.00 C ATOM 0 H LEU A 67 -0.189 3.344 6.152 1.00 10.00 H new ATOM 0 HA LEU A 67 0.736 0.849 5.044 1.00 10.00 H new ATOM 0 HB2 LEU A 67 1.326 3.729 4.794 1.00 10.00 H new ATOM 0 HB3 LEU A 67 2.726 2.687 4.640 1.00 10.00 H new ATOM 0 HG LEU A 67 0.220 2.248 3.018 1.00 10.00 H new ATOM 0 HD11 LEU A 67 1.386 3.493 1.199 1.00 10.00 H new ATOM 0 HD12 LEU A 67 1.073 4.536 2.607 1.00 10.00 H new ATOM 0 HD13 LEU A 67 2.704 3.881 2.330 1.00 10.00 H new ATOM 0 HD21 LEU A 67 1.772 1.117 1.468 1.00 10.00 H new ATOM 0 HD22 LEU A 67 3.120 1.456 2.579 1.00 10.00 H new ATOM 0 HD23 LEU A 67 1.799 0.376 3.085 1.00 10.00 H new ATOM 964 N HIS A 68 2.817 0.374 6.409 1.00 10.00 N ATOM 965 CA HIS A 68 3.800 -0.103 7.361 1.00 10.00 C ATOM 966 C HIS A 68 5.055 -0.563 6.642 1.00 10.00 C ATOM 967 O HIS A 68 5.001 -0.877 5.457 1.00 10.00 O ATOM 968 CB HIS A 68 3.232 -1.282 8.124 1.00 10.00 C ATOM 969 CG HIS A 68 2.473 -0.934 9.366 1.00 10.00 C ATOM 970 ND1 HIS A 68 2.937 -1.196 10.634 1.00 10.00 N ATOM 971 CD2 HIS A 68 1.252 -0.375 9.525 1.00 10.00 C ATOM 972 CE1 HIS A 68 2.035 -0.817 11.518 1.00 10.00 C ATOM 973 NE2 HIS A 68 0.997 -0.313 10.873 1.00 10.00 N ATOM 0 H HIS A 68 2.761 -0.183 5.556 1.00 10.00 H new ATOM 0 HA HIS A 68 4.046 0.713 8.041 1.00 10.00 H new ATOM 0 HB2 HIS A 68 2.573 -1.840 7.459 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.052 -1.948 8.393 1.00 10.00 H new ATOM 0 HD2 HIS A 68 0.597 -0.038 8.735 1.00 10.00 H new ATOM 0 HE1 HIS A 68 2.129 -0.904 12.590 1.00 10.00 H new ATOM 0 HE2 HIS A 68 0.150 0.059 11.303 1.00 10.00 H new ATOM 982 N THR A 69 6.183 -0.603 7.332 1.00 10.00 N ATOM 983 CA THR A 69 7.391 -1.149 6.744 1.00 10.00 C ATOM 984 C THR A 69 7.369 -2.666 6.792 1.00 10.00 C ATOM 985 O THR A 69 7.154 -3.264 7.846 1.00 10.00 O ATOM 986 CB THR A 69 8.655 -0.641 7.451 1.00 10.00 C ATOM 987 OG1 THR A 69 8.286 0.283 8.490 1.00 10.00 O ATOM 988 CG2 THR A 69 9.589 0.035 6.460 1.00 10.00 C ATOM 0 H THR A 69 6.286 -0.267 8.290 1.00 10.00 H new ATOM 0 HA THR A 69 7.419 -0.812 5.708 1.00 10.00 H new ATOM 0 HB THR A 69 9.178 -1.491 7.890 1.00 10.00 H new ATOM 0 HG1 THR A 69 9.093 0.606 8.942 1.00 10.00 H new ATOM 0 HG21 THR A 69 10.479 0.388 6.981 1.00 10.00 H new ATOM 0 HG22 THR A 69 9.879 -0.678 5.689 1.00 10.00 H new ATOM 0 HG23 THR A 69 9.079 0.881 5.999 1.00 10.00 H new ATOM 996 N CYS A 70 7.566 -3.279 5.644 1.00 10.00 N ATOM 997 CA CYS A 70 7.632 -4.720 5.555 1.00 10.00 C ATOM 998 C CYS A 70 9.088 -5.159 5.630 1.00 10.00 C ATOM 999 O CYS A 70 9.988 -4.361 5.358 1.00 10.00 O ATOM 1000 CB CYS A 70 6.983 -5.218 4.254 1.00 10.00 C ATOM 1001 SG CYS A 70 7.159 -7.009 3.949 1.00 10.00 S ATOM 0 H CYS A 70 7.684 -2.796 4.753 1.00 10.00 H new ATOM 0 HA CYS A 70 7.079 -5.155 6.388 1.00 10.00 H new ATOM 0 HB2 CYS A 70 5.922 -4.970 4.275 1.00 10.00 H new ATOM 0 HB3 CYS A 70 7.420 -4.676 3.415 1.00 10.00 H new ATOM 1006 N ASP A 71 9.323 -6.403 5.992 1.00 10.00 N ATOM 1007 CA ASP A 71 10.657 -6.961 5.981 1.00 10.00 C ATOM 1008 C ASP A 71 10.588 -8.344 5.387 1.00 10.00 C ATOM 1009 O ASP A 71 9.587 -9.018 5.584 1.00 10.00 O ATOM 1010 CB ASP A 71 11.257 -7.037 7.389 1.00 10.00 C ATOM 1011 CG ASP A 71 10.474 -7.928 8.332 1.00 10.00 C ATOM 1012 OD1 ASP A 71 9.347 -7.542 8.709 1.00 10.00 O ATOM 1013 OD2 ASP A 71 10.965 -9.019 8.679 1.00 10.00 O ATOM 0 H ASP A 71 8.599 -7.052 6.300 1.00 10.00 H new ATOM 0 HA ASP A 71 11.301 -6.312 5.387 1.00 10.00 H new ATOM 0 HB2 ASP A 71 12.281 -7.405 7.320 1.00 10.00 H new ATOM 0 HB3 ASP A 71 11.307 -6.032 7.809 1.00 10.00 H new