USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=13 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 18 TYR OH : rot 56:sc= 0.375 USER MOD Set 1.2: A 53 THR OG1 : rot -79:sc= 1.8 USER MOD Set 2.1: A 14 GLN : amide:sc= -0.0957 X(o=0.2,f=0.097) USER MOD Set 2.2: A 57 TYR OH : rot -56:sc= 0.298 USER MOD Single : A 12 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 SER OG : rot -88:sc= -1.33! USER MOD Single : A 19 THR OG1 : rot -100:sc= -0.84 USER MOD Single : A 22 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.71) USER MOD Single : A 23 ASN : amide:sc= -12.7! C(o=-13!,f=-13!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 35 TYR OH : rot 120:sc= -0.624 USER MOD Single : A 36 THR OG1 : rot 49:sc= -1.14 USER MOD Single : A 37 HIS : no HD1:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.228 K(o=0.23,f=-0.41) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.0515 USER MOD Single : A 65 THR OG1 : rot -41:sc= 0.0606 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.31 USER MOD ----------------------------------------------------------------- ATOM 45 N PRO A 5 4.266 6.971 7.091 1.00 10.00 N ATOM 46 CA PRO A 5 4.128 5.510 7.008 1.00 10.00 C ATOM 47 C PRO A 5 5.302 4.844 6.292 1.00 10.00 C ATOM 48 O PRO A 5 5.905 5.430 5.389 1.00 10.00 O ATOM 49 CB PRO A 5 2.839 5.321 6.202 1.00 10.00 C ATOM 50 CG PRO A 5 2.631 6.604 5.482 1.00 10.00 C ATOM 51 CD PRO A 5 3.173 7.664 6.393 1.00 10.00 C ATOM 0 HA PRO A 5 4.106 5.052 7.997 1.00 10.00 H new ATOM 0 HB2 PRO A 5 2.931 4.489 5.504 1.00 10.00 H new ATOM 0 HB3 PRO A 5 1.996 5.097 6.856 1.00 10.00 H new ATOM 0 HG2 PRO A 5 3.151 6.606 4.524 1.00 10.00 H new ATOM 0 HG3 PRO A 5 1.574 6.770 5.271 1.00 10.00 H new ATOM 0 HD2 PRO A 5 3.534 8.529 5.836 1.00 10.00 H new ATOM 0 HD3 PRO A 5 2.415 8.025 7.088 1.00 10.00 H new ATOM 59 N VAL A 6 5.599 3.608 6.708 1.00 10.00 N ATOM 60 CA VAL A 6 6.679 2.788 6.143 1.00 10.00 C ATOM 61 C VAL A 6 8.017 3.557 6.088 1.00 10.00 C ATOM 62 O VAL A 6 8.345 4.302 7.011 1.00 10.00 O ATOM 63 CB VAL A 6 6.290 2.183 4.746 1.00 10.00 C ATOM 64 CG1 VAL A 6 4.877 1.672 4.754 1.00 10.00 C ATOM 65 CG2 VAL A 6 6.448 3.142 3.596 1.00 10.00 C ATOM 0 H VAL A 6 5.089 3.141 7.458 1.00 10.00 H new ATOM 0 HA VAL A 6 6.825 1.946 6.820 1.00 10.00 H new ATOM 0 HB VAL A 6 6.994 1.366 4.589 1.00 10.00 H new ATOM 0 HG11 VAL A 6 4.634 1.259 3.775 1.00 10.00 H new ATOM 0 HG12 VAL A 6 4.775 0.895 5.511 1.00 10.00 H new ATOM 0 HG13 VAL A 6 4.195 2.491 4.981 1.00 10.00 H new ATOM 0 HG21 VAL A 6 6.159 2.648 2.668 1.00 10.00 H new ATOM 0 HG22 VAL A 6 5.811 4.012 3.757 1.00 10.00 H new ATOM 0 HG23 VAL A 6 7.488 3.461 3.529 1.00 10.00 H new ATOM 75 N ALA A 7 8.789 3.331 5.025 1.00 10.00 N ATOM 76 CA ALA A 7 10.052 4.012 4.767 1.00 10.00 C ATOM 77 C ALA A 7 9.919 5.541 4.742 1.00 10.00 C ATOM 78 O ALA A 7 10.918 6.250 4.608 1.00 10.00 O ATOM 79 CB ALA A 7 10.591 3.507 3.435 1.00 10.00 C ATOM 0 H ALA A 7 8.545 2.652 4.304 1.00 10.00 H new ATOM 0 HA ALA A 7 10.737 3.786 5.584 1.00 10.00 H new ATOM 0 HB1 ALA A 7 11.538 4.000 3.215 1.00 10.00 H new ATOM 0 HB2 ALA A 7 10.747 2.430 3.491 1.00 10.00 H new ATOM 0 HB3 ALA A 7 9.874 3.729 2.645 1.00 10.00 H new ATOM 85 N GLU A 8 8.684 6.032 4.840 1.00 10.00 N ATOM 86 CA GLU A 8 8.376 7.466 4.898 1.00 10.00 C ATOM 87 C GLU A 8 8.497 8.154 3.537 1.00 10.00 C ATOM 88 O GLU A 8 7.848 9.171 3.305 1.00 10.00 O ATOM 89 CB GLU A 8 9.233 8.173 5.952 1.00 10.00 C ATOM 90 CG GLU A 8 8.993 7.650 7.355 1.00 10.00 C ATOM 91 CD GLU A 8 9.599 8.518 8.433 1.00 10.00 C ATOM 92 OE1 GLU A 8 10.784 8.314 8.772 1.00 10.00 O ATOM 93 OE2 GLU A 8 8.899 9.422 8.933 1.00 10.00 O ATOM 0 H GLU A 8 7.855 5.439 4.882 1.00 10.00 H new ATOM 0 HA GLU A 8 7.330 7.547 5.195 1.00 10.00 H new ATOM 0 HB2 GLU A 8 10.286 8.050 5.699 1.00 10.00 H new ATOM 0 HB3 GLU A 8 9.022 9.242 5.927 1.00 10.00 H new ATOM 0 HG2 GLU A 8 7.919 7.569 7.525 1.00 10.00 H new ATOM 0 HG3 GLU A 8 9.405 6.644 7.435 1.00 10.00 H new ATOM 100 N CYS A 9 9.317 7.613 2.642 1.00 10.00 N ATOM 101 CA CYS A 9 9.466 8.186 1.313 1.00 10.00 C ATOM 102 C CYS A 9 8.507 7.549 0.312 1.00 10.00 C ATOM 103 O CYS A 9 8.684 7.694 -0.886 1.00 10.00 O ATOM 104 CB CYS A 9 10.915 8.025 0.834 1.00 10.00 C ATOM 105 SG CYS A 9 11.741 6.558 1.521 1.00 10.00 S ATOM 0 H CYS A 9 9.885 6.783 2.813 1.00 10.00 H new ATOM 0 HA CYS A 9 9.219 9.246 1.376 1.00 10.00 H new ATOM 0 HB2 CYS A 9 10.926 7.963 -0.254 1.00 10.00 H new ATOM 0 HB3 CYS A 9 11.482 8.915 1.108 1.00 10.00 H new ATOM 110 N VAL A 10 7.505 6.826 0.796 1.00 10.00 N ATOM 111 CA VAL A 10 6.475 6.280 -0.080 1.00 10.00 C ATOM 112 C VAL A 10 5.133 6.905 0.295 1.00 10.00 C ATOM 113 O VAL A 10 4.867 7.141 1.476 1.00 10.00 O ATOM 114 CB VAL A 10 6.406 4.724 -0.020 1.00 10.00 C ATOM 115 CG1 VAL A 10 7.616 4.149 0.700 1.00 10.00 C ATOM 116 CG2 VAL A 10 5.108 4.217 0.608 1.00 10.00 C ATOM 0 H VAL A 10 7.383 6.605 1.784 1.00 10.00 H new ATOM 0 HA VAL A 10 6.727 6.530 -1.111 1.00 10.00 H new ATOM 0 HB VAL A 10 6.417 4.372 -1.052 1.00 10.00 H new ATOM 0 HG11 VAL A 10 7.541 3.062 0.727 1.00 10.00 H new ATOM 0 HG12 VAL A 10 8.525 4.437 0.171 1.00 10.00 H new ATOM 0 HG13 VAL A 10 7.651 4.535 1.719 1.00 10.00 H new ATOM 0 HG21 VAL A 10 5.113 3.127 0.624 1.00 10.00 H new ATOM 0 HG22 VAL A 10 5.025 4.595 1.627 1.00 10.00 H new ATOM 0 HG23 VAL A 10 4.259 4.567 0.021 1.00 10.00 H new ATOM 126 N GLU A 11 4.300 7.194 -0.697 1.00 10.00 N ATOM 127 CA GLU A 11 3.054 7.903 -0.443 1.00 10.00 C ATOM 128 C GLU A 11 1.887 7.271 -1.195 1.00 10.00 C ATOM 129 O GLU A 11 1.905 7.208 -2.421 1.00 10.00 O ATOM 130 CB GLU A 11 3.204 9.369 -0.850 1.00 10.00 C ATOM 131 CG GLU A 11 1.910 10.157 -0.804 1.00 10.00 C ATOM 132 CD GLU A 11 2.096 11.585 -1.266 1.00 10.00 C ATOM 133 OE1 GLU A 11 2.181 11.809 -2.489 1.00 10.00 O ATOM 134 OE2 GLU A 11 2.170 12.488 -0.410 1.00 10.00 O ATOM 0 H GLU A 11 4.462 6.951 -1.674 1.00 10.00 H new ATOM 0 HA GLU A 11 2.838 7.837 0.623 1.00 10.00 H new ATOM 0 HB2 GLU A 11 3.931 9.845 -0.192 1.00 10.00 H new ATOM 0 HB3 GLU A 11 3.610 9.415 -1.861 1.00 10.00 H new ATOM 0 HG2 GLU A 11 1.166 9.667 -1.432 1.00 10.00 H new ATOM 0 HG3 GLU A 11 1.520 10.154 0.214 1.00 10.00 H new ATOM 141 N TYR A 12 0.892 6.778 -0.468 1.00 10.00 N ATOM 142 CA TYR A 12 -0.310 6.256 -1.109 1.00 10.00 C ATOM 143 C TYR A 12 -1.387 7.313 -1.273 1.00 10.00 C ATOM 144 O TYR A 12 -1.368 8.365 -0.632 1.00 10.00 O ATOM 145 CB TYR A 12 -0.896 5.027 -0.384 1.00 10.00 C ATOM 146 CG TYR A 12 -1.237 5.191 1.093 1.00 10.00 C ATOM 147 CD1 TYR A 12 -1.471 6.429 1.685 1.00 10.00 C ATOM 148 CD2 TYR A 12 -1.326 4.066 1.895 1.00 10.00 C ATOM 149 CE1 TYR A 12 -1.775 6.532 3.030 1.00 10.00 C ATOM 150 CE2 TYR A 12 -1.624 4.156 3.238 1.00 10.00 C ATOM 151 CZ TYR A 12 -1.847 5.392 3.804 1.00 10.00 C ATOM 152 OH TYR A 12 -2.130 5.487 5.147 1.00 10.00 O ATOM 0 H TYR A 12 0.891 6.728 0.551 1.00 10.00 H new ATOM 0 HA TYR A 12 0.018 5.938 -2.099 1.00 10.00 H new ATOM 0 HB2 TYR A 12 -1.802 4.724 -0.909 1.00 10.00 H new ATOM 0 HB3 TYR A 12 -0.184 4.207 -0.478 1.00 10.00 H new ATOM 0 HD1 TYR A 12 -1.414 7.324 1.084 1.00 10.00 H new ATOM 0 HD2 TYR A 12 -1.158 3.093 1.457 1.00 10.00 H new ATOM 0 HE1 TYR A 12 -1.955 7.500 3.473 1.00 10.00 H new ATOM 0 HE2 TYR A 12 -1.682 3.263 3.843 1.00 10.00 H new ATOM 0 HH TYR A 12 -2.695 6.272 5.308 1.00 10.00 H new ATOM 162 N PHE A 13 -2.310 7.008 -2.159 1.00 10.00 N ATOM 163 CA PHE A 13 -3.522 7.773 -2.336 1.00 10.00 C ATOM 164 C PHE A 13 -4.610 6.782 -2.721 1.00 10.00 C ATOM 165 O PHE A 13 -4.305 5.622 -3.005 1.00 10.00 O ATOM 166 CB PHE A 13 -3.333 8.843 -3.417 1.00 10.00 C ATOM 167 CG PHE A 13 -4.409 9.896 -3.436 1.00 10.00 C ATOM 168 CD1 PHE A 13 -4.484 10.846 -2.431 1.00 10.00 C ATOM 169 CD2 PHE A 13 -5.345 9.928 -4.454 1.00 10.00 C ATOM 170 CE1 PHE A 13 -5.472 11.811 -2.440 1.00 10.00 C ATOM 171 CE2 PHE A 13 -6.336 10.891 -4.470 1.00 10.00 C ATOM 172 CZ PHE A 13 -6.390 11.846 -3.480 1.00 10.00 C ATOM 0 H PHE A 13 -2.237 6.207 -2.787 1.00 10.00 H new ATOM 0 HA PHE A 13 -3.793 8.301 -1.422 1.00 10.00 H new ATOM 0 HB2 PHE A 13 -2.368 9.328 -3.268 1.00 10.00 H new ATOM 0 HB3 PHE A 13 -3.298 8.357 -4.392 1.00 10.00 H new ATOM 0 HD1 PHE A 13 -3.760 10.832 -1.630 1.00 10.00 H new ATOM 0 HD2 PHE A 13 -5.301 9.193 -5.244 1.00 10.00 H new ATOM 0 HE1 PHE A 13 -5.530 12.535 -1.641 1.00 10.00 H new ATOM 0 HE2 PHE A 13 -7.071 10.894 -5.262 1.00 10.00 H new ATOM 0 HZ PHE A 13 -7.143 12.619 -3.513 1.00 10.00 H new ATOM 182 N GLN A 14 -5.860 7.193 -2.706 1.00 10.00 N ATOM 183 CA GLN A 14 -6.929 6.279 -3.051 1.00 10.00 C ATOM 184 C GLN A 14 -7.639 6.702 -4.332 1.00 10.00 C ATOM 185 O GLN A 14 -8.381 7.681 -4.359 1.00 10.00 O ATOM 186 CB GLN A 14 -7.919 6.099 -1.881 1.00 10.00 C ATOM 187 CG GLN A 14 -8.034 7.285 -0.919 1.00 10.00 C ATOM 188 CD GLN A 14 -8.934 8.404 -1.420 1.00 10.00 C ATOM 189 OE1 GLN A 14 -10.147 8.370 -1.226 1.00 10.00 O ATOM 190 NE2 GLN A 14 -8.345 9.432 -2.009 1.00 10.00 N ATOM 0 H GLN A 14 -6.159 8.138 -2.463 1.00 10.00 H new ATOM 0 HA GLN A 14 -6.476 5.306 -3.243 1.00 10.00 H new ATOM 0 HB2 GLN A 14 -8.907 5.893 -2.294 1.00 10.00 H new ATOM 0 HB3 GLN A 14 -7.622 5.219 -1.310 1.00 10.00 H new ATOM 0 HG2 GLN A 14 -8.415 6.928 0.038 1.00 10.00 H new ATOM 0 HG3 GLN A 14 -7.038 7.688 -0.735 1.00 10.00 H new ATOM 0 HE21 GLN A 14 -7.335 9.427 -2.154 1.00 10.00 H new ATOM 0 HE22 GLN A 14 -8.901 10.230 -2.318 1.00 10.00 H new ATOM 199 N SER A 15 -7.397 5.954 -5.396 1.00 10.00 N ATOM 200 CA SER A 15 -8.065 6.175 -6.659 1.00 10.00 C ATOM 201 C SER A 15 -9.214 5.177 -6.790 1.00 10.00 C ATOM 202 O SER A 15 -9.341 4.461 -7.789 1.00 10.00 O ATOM 203 CB SER A 15 -7.054 6.052 -7.806 1.00 10.00 C ATOM 204 OG SER A 15 -6.071 5.069 -7.519 1.00 10.00 O ATOM 0 H SER A 15 -6.733 5.180 -5.404 1.00 10.00 H new ATOM 0 HA SER A 15 -8.484 7.180 -6.704 1.00 10.00 H new ATOM 0 HB2 SER A 15 -7.575 5.791 -8.727 1.00 10.00 H new ATOM 0 HB3 SER A 15 -6.571 7.015 -7.974 1.00 10.00 H new ATOM 0 HG SER A 15 -5.328 5.482 -7.032 1.00 10.00 H new ATOM 210 N TRP A 16 -10.034 5.140 -5.732 1.00 10.00 N ATOM 211 CA TRP A 16 -11.204 4.266 -5.633 1.00 10.00 C ATOM 212 C TRP A 16 -10.794 2.812 -5.375 1.00 10.00 C ATOM 213 O TRP A 16 -10.626 2.407 -4.227 1.00 10.00 O ATOM 214 CB TRP A 16 -12.083 4.380 -6.885 1.00 10.00 C ATOM 215 CG TRP A 16 -13.388 3.646 -6.792 1.00 10.00 C ATOM 216 CD1 TRP A 16 -13.856 2.709 -7.664 1.00 10.00 C ATOM 217 CD2 TRP A 16 -14.389 3.784 -5.775 1.00 10.00 C ATOM 218 NE1 TRP A 16 -15.087 2.262 -7.262 1.00 10.00 N ATOM 219 CE2 TRP A 16 -15.437 2.903 -6.104 1.00 10.00 C ATOM 220 CE3 TRP A 16 -14.504 4.566 -4.621 1.00 10.00 C ATOM 221 CZ2 TRP A 16 -16.584 2.781 -5.322 1.00 10.00 C ATOM 222 CZ3 TRP A 16 -15.642 4.443 -3.847 1.00 10.00 C ATOM 223 CH2 TRP A 16 -16.667 3.557 -4.199 1.00 10.00 C ATOM 0 H TRP A 16 -9.899 5.727 -4.909 1.00 10.00 H new ATOM 0 HA TRP A 16 -11.794 4.597 -4.778 1.00 10.00 H new ATOM 0 HB2 TRP A 16 -12.285 5.434 -7.078 1.00 10.00 H new ATOM 0 HB3 TRP A 16 -11.526 4.000 -7.742 1.00 10.00 H new ATOM 0 HD1 TRP A 16 -13.332 2.368 -8.545 1.00 10.00 H new ATOM 0 HE1 TRP A 16 -15.651 1.564 -7.747 1.00 10.00 H new ATOM 0 HE3 TRP A 16 -13.719 5.252 -4.340 1.00 10.00 H new ATOM 0 HZ2 TRP A 16 -17.377 2.100 -5.592 1.00 10.00 H new ATOM 0 HZ3 TRP A 16 -15.743 5.042 -2.954 1.00 10.00 H new ATOM 0 HH2 TRP A 16 -17.542 3.485 -3.570 1.00 10.00 H new ATOM 234 N ARG A 17 -10.596 2.046 -6.440 1.00 10.00 N ATOM 235 CA ARG A 17 -10.276 0.623 -6.316 1.00 10.00 C ATOM 236 C ARG A 17 -8.777 0.384 -6.486 1.00 10.00 C ATOM 237 O ARG A 17 -8.345 -0.674 -6.935 1.00 10.00 O ATOM 238 CB ARG A 17 -11.068 -0.196 -7.348 1.00 10.00 C ATOM 239 CG ARG A 17 -10.925 0.301 -8.780 1.00 10.00 C ATOM 240 CD ARG A 17 -11.610 -0.629 -9.774 1.00 10.00 C ATOM 241 NE ARG A 17 -13.037 -0.815 -9.487 1.00 10.00 N ATOM 242 CZ ARG A 17 -13.748 -1.861 -9.913 1.00 10.00 C ATOM 243 NH1 ARG A 17 -13.189 -2.766 -10.711 1.00 10.00 N ATOM 244 NH2 ARG A 17 -15.025 -1.990 -9.573 1.00 10.00 N ATOM 0 H ARG A 17 -10.651 2.383 -7.401 1.00 10.00 H new ATOM 0 HA ARG A 17 -10.561 0.297 -5.316 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -10.740 -1.234 -7.301 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -12.123 -0.183 -7.074 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -11.353 1.300 -8.862 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -9.868 0.386 -9.031 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -11.496 -0.226 -10.780 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -11.112 -1.598 -9.761 1.00 10.00 H new ATOM 0 HE ARG A 17 -13.512 -0.105 -8.930 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -12.216 -2.661 -10.998 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -13.733 -3.565 -11.036 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -15.469 -1.287 -8.982 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -15.562 -2.792 -9.902 1.00 10.00 H new ATOM 258 N TYR A 18 -7.996 1.370 -6.080 1.00 10.00 N ATOM 259 CA TYR A 18 -6.565 1.378 -6.305 1.00 10.00 C ATOM 260 C TYR A 18 -5.902 2.232 -5.240 1.00 10.00 C ATOM 261 O TYR A 18 -6.067 3.449 -5.224 1.00 10.00 O ATOM 262 CB TYR A 18 -6.266 1.977 -7.674 1.00 10.00 C ATOM 263 CG TYR A 18 -5.250 1.230 -8.502 1.00 10.00 C ATOM 264 CD1 TYR A 18 -3.888 1.471 -8.379 1.00 10.00 C ATOM 265 CD2 TYR A 18 -5.665 0.281 -9.429 1.00 10.00 C ATOM 266 CE1 TYR A 18 -2.976 0.785 -9.156 1.00 10.00 C ATOM 267 CE2 TYR A 18 -4.757 -0.405 -10.206 1.00 10.00 C ATOM 268 CZ TYR A 18 -3.415 -0.150 -10.068 1.00 10.00 C ATOM 269 OH TYR A 18 -2.504 -0.844 -10.833 1.00 10.00 O ATOM 0 H TYR A 18 -8.341 2.191 -5.582 1.00 10.00 H new ATOM 0 HA TYR A 18 -6.184 0.358 -6.261 1.00 10.00 H new ATOM 0 HB2 TYR A 18 -7.197 2.034 -8.238 1.00 10.00 H new ATOM 0 HB3 TYR A 18 -5.915 2.999 -7.535 1.00 10.00 H new ATOM 0 HD1 TYR A 18 -3.538 2.204 -7.667 1.00 10.00 H new ATOM 0 HD2 TYR A 18 -6.720 0.077 -9.542 1.00 10.00 H new ATOM 0 HE1 TYR A 18 -1.919 0.981 -9.049 1.00 10.00 H new ATOM 0 HE2 TYR A 18 -5.099 -1.140 -10.920 1.00 10.00 H new ATOM 0 HH TYR A 18 -1.866 -1.302 -10.247 1.00 10.00 H new ATOM 279 N THR A 19 -5.225 1.612 -4.313 1.00 10.00 N ATOM 280 CA THR A 19 -4.396 2.350 -3.399 1.00 10.00 C ATOM 281 C THR A 19 -2.982 2.439 -3.953 1.00 10.00 C ATOM 282 O THR A 19 -2.202 1.488 -3.883 1.00 10.00 O ATOM 283 CB THR A 19 -4.447 1.721 -2.004 1.00 10.00 C ATOM 284 OG1 THR A 19 -5.706 2.060 -1.410 1.00 10.00 O ATOM 285 CG2 THR A 19 -3.306 2.189 -1.107 1.00 10.00 C ATOM 0 H THR A 19 -5.230 0.602 -4.170 1.00 10.00 H new ATOM 0 HA THR A 19 -4.772 3.368 -3.295 1.00 10.00 H new ATOM 0 HB THR A 19 -4.337 0.642 -2.108 1.00 10.00 H new ATOM 0 HG1 THR A 19 -5.584 2.807 -0.788 1.00 10.00 H new ATOM 0 HG21 THR A 19 -3.391 1.712 -0.131 1.00 10.00 H new ATOM 0 HG22 THR A 19 -2.352 1.919 -1.561 1.00 10.00 H new ATOM 0 HG23 THR A 19 -3.357 3.271 -0.988 1.00 10.00 H new ATOM 293 N ASP A 20 -2.710 3.573 -4.586 1.00 10.00 N ATOM 294 CA ASP A 20 -1.431 3.831 -5.223 1.00 10.00 C ATOM 295 C ASP A 20 -0.402 4.334 -4.233 1.00 10.00 C ATOM 296 O ASP A 20 -0.474 5.467 -3.780 1.00 10.00 O ATOM 297 CB ASP A 20 -1.578 4.854 -6.360 1.00 10.00 C ATOM 298 CG ASP A 20 -2.440 6.058 -6.010 1.00 10.00 C ATOM 299 OD1 ASP A 20 -3.686 5.959 -6.106 1.00 10.00 O ATOM 300 OD2 ASP A 20 -1.872 7.124 -5.677 1.00 10.00 O ATOM 0 H ASP A 20 -3.375 4.341 -4.671 1.00 10.00 H new ATOM 0 HA ASP A 20 -1.087 2.881 -5.632 1.00 10.00 H new ATOM 0 HB2 ASP A 20 -0.587 5.203 -6.650 1.00 10.00 H new ATOM 0 HB3 ASP A 20 -2.007 4.355 -7.229 1.00 10.00 H new ATOM 305 N VAL A 21 0.567 3.500 -3.906 1.00 10.00 N ATOM 306 CA VAL A 21 1.679 3.953 -3.094 1.00 10.00 C ATOM 307 C VAL A 21 2.862 4.235 -3.995 1.00 10.00 C ATOM 308 O VAL A 21 3.459 3.342 -4.593 1.00 10.00 O ATOM 309 CB VAL A 21 2.032 2.994 -1.912 1.00 10.00 C ATOM 310 CG1 VAL A 21 1.203 1.724 -1.949 1.00 10.00 C ATOM 311 CG2 VAL A 21 3.516 2.660 -1.843 1.00 10.00 C ATOM 0 H VAL A 21 0.607 2.520 -4.185 1.00 10.00 H new ATOM 0 HA VAL A 21 1.379 4.875 -2.597 1.00 10.00 H new ATOM 0 HB VAL A 21 1.782 3.541 -1.003 1.00 10.00 H new ATOM 0 HG11 VAL A 21 1.479 1.085 -1.111 1.00 10.00 H new ATOM 0 HG12 VAL A 21 0.145 1.978 -1.879 1.00 10.00 H new ATOM 0 HG13 VAL A 21 1.388 1.196 -2.884 1.00 10.00 H new ATOM 0 HG21 VAL A 21 3.700 1.991 -1.002 1.00 10.00 H new ATOM 0 HG22 VAL A 21 3.823 2.173 -2.768 1.00 10.00 H new ATOM 0 HG23 VAL A 21 4.089 3.577 -1.709 1.00 10.00 H new ATOM 321 N HIS A 22 3.120 5.516 -4.159 1.00 10.00 N ATOM 322 CA HIS A 22 4.217 5.978 -4.967 1.00 10.00 C ATOM 323 C HIS A 22 5.408 6.290 -4.091 1.00 10.00 C ATOM 324 O HIS A 22 5.371 7.228 -3.296 1.00 10.00 O ATOM 325 CB HIS A 22 3.824 7.206 -5.818 1.00 10.00 C ATOM 326 CG HIS A 22 2.587 7.942 -5.365 1.00 10.00 C ATOM 327 ND1 HIS A 22 2.606 9.194 -4.784 1.00 10.00 N ATOM 328 CD2 HIS A 22 1.276 7.602 -5.465 1.00 10.00 C ATOM 329 CE1 HIS A 22 1.364 9.585 -4.545 1.00 10.00 C ATOM 330 NE2 HIS A 22 0.544 8.635 -4.947 1.00 10.00 N ATOM 0 H HIS A 22 2.571 6.263 -3.733 1.00 10.00 H new ATOM 0 HA HIS A 22 4.485 5.180 -5.660 1.00 10.00 H new ATOM 0 HB2 HIS A 22 4.660 7.905 -5.823 1.00 10.00 H new ATOM 0 HB3 HIS A 22 3.675 6.880 -6.847 1.00 10.00 H new ATOM 0 HD2 HIS A 22 0.883 6.684 -5.878 1.00 10.00 H new ATOM 0 HE1 HIS A 22 1.072 10.523 -4.097 1.00 10.00 H new ATOM 0 HE2 HIS A 22 -0.473 8.665 -4.882 1.00 10.00 H new ATOM 339 N ASN A 23 6.447 5.481 -4.210 1.00 10.00 N ATOM 340 CA ASN A 23 7.666 5.718 -3.467 1.00 10.00 C ATOM 341 C ASN A 23 8.494 6.797 -4.164 1.00 10.00 C ATOM 342 O ASN A 23 8.337 7.028 -5.360 1.00 10.00 O ATOM 343 CB ASN A 23 8.470 4.419 -3.316 1.00 10.00 C ATOM 344 CG ASN A 23 9.890 4.633 -2.823 1.00 10.00 C ATOM 345 OD1 ASN A 23 10.812 4.790 -3.617 1.00 10.00 O ATOM 346 ND2 ASN A 23 10.072 4.638 -1.512 1.00 10.00 N ATOM 0 H ASN A 23 6.468 4.658 -4.812 1.00 10.00 H new ATOM 0 HA ASN A 23 7.410 6.067 -2.467 1.00 10.00 H new ATOM 0 HB2 ASN A 23 7.950 3.759 -2.622 1.00 10.00 H new ATOM 0 HB3 ASN A 23 8.502 3.908 -4.278 1.00 10.00 H new ATOM 0 HD21 ASN A 23 11.007 4.776 -1.127 1.00 10.00 H new ATOM 0 HD22 ASN A 23 9.278 4.504 -0.886 1.00 10.00 H new ATOM 353 N GLY A 24 9.320 7.492 -3.405 1.00 10.00 N ATOM 354 CA GLY A 24 10.236 8.452 -3.976 1.00 10.00 C ATOM 355 C GLY A 24 11.605 8.361 -3.340 1.00 10.00 C ATOM 356 O GLY A 24 12.380 9.313 -3.371 1.00 10.00 O ATOM 0 H GLY A 24 9.373 7.407 -2.390 1.00 10.00 H new ATOM 0 HA2 GLY A 24 10.321 8.281 -5.049 1.00 10.00 H new ATOM 0 HA3 GLY A 24 9.839 9.458 -3.844 1.00 10.00 H new ATOM 360 N CYS A 25 11.888 7.217 -2.737 1.00 10.00 N ATOM 361 CA CYS A 25 13.200 6.945 -2.190 1.00 10.00 C ATOM 362 C CYS A 25 14.115 6.449 -3.298 1.00 10.00 C ATOM 363 O CYS A 25 13.646 6.009 -4.345 1.00 10.00 O ATOM 364 CB CYS A 25 13.124 5.916 -1.062 1.00 10.00 C ATOM 365 SG CYS A 25 13.533 6.571 0.582 1.00 10.00 S ATOM 0 H CYS A 25 11.217 6.458 -2.615 1.00 10.00 H new ATOM 0 HA CYS A 25 13.603 7.867 -1.771 1.00 10.00 H new ATOM 0 HB2 CYS A 25 12.117 5.500 -1.034 1.00 10.00 H new ATOM 0 HB3 CYS A 25 13.802 5.094 -1.291 1.00 10.00 H new ATOM 370 N ALA A 26 15.412 6.543 -3.076 1.00 10.00 N ATOM 371 CA ALA A 26 16.392 6.112 -4.067 1.00 10.00 C ATOM 372 C ALA A 26 16.583 4.596 -4.042 1.00 10.00 C ATOM 373 O ALA A 26 17.230 4.031 -4.925 1.00 10.00 O ATOM 374 CB ALA A 26 17.718 6.825 -3.843 1.00 10.00 C ATOM 0 H ALA A 26 15.817 6.915 -2.217 1.00 10.00 H new ATOM 0 HA ALA A 26 16.012 6.379 -5.053 1.00 10.00 H new ATOM 0 HB1 ALA A 26 18.440 6.494 -4.590 1.00 10.00 H new ATOM 0 HB2 ALA A 26 17.572 7.901 -3.932 1.00 10.00 H new ATOM 0 HB3 ALA A 26 18.093 6.591 -2.847 1.00 10.00 H new ATOM 380 N ASP A 27 16.039 3.940 -3.032 1.00 10.00 N ATOM 381 CA ASP A 27 16.215 2.506 -2.880 1.00 10.00 C ATOM 382 C ASP A 27 14.881 1.792 -2.687 1.00 10.00 C ATOM 383 O ASP A 27 13.872 2.402 -2.325 1.00 10.00 O ATOM 384 CB ASP A 27 17.144 2.221 -1.700 1.00 10.00 C ATOM 385 CG ASP A 27 16.513 2.543 -0.357 1.00 10.00 C ATOM 386 OD1 ASP A 27 16.084 3.698 -0.158 1.00 10.00 O ATOM 387 OD2 ASP A 27 16.485 1.645 0.515 1.00 10.00 O ATOM 0 H ASP A 27 15.472 4.377 -2.305 1.00 10.00 H new ATOM 0 HA ASP A 27 16.663 2.122 -3.797 1.00 10.00 H new ATOM 0 HB2 ASP A 27 17.432 1.170 -1.717 1.00 10.00 H new ATOM 0 HB3 ASP A 27 18.058 2.804 -1.815 1.00 10.00 H new ATOM 392 N ALA A 28 14.897 0.492 -2.968 1.00 10.00 N ATOM 393 CA ALA A 28 13.723 -0.367 -2.843 1.00 10.00 C ATOM 394 C ALA A 28 13.374 -0.614 -1.385 1.00 10.00 C ATOM 395 O ALA A 28 14.213 -1.081 -0.608 1.00 10.00 O ATOM 396 CB ALA A 28 13.976 -1.693 -3.552 1.00 10.00 C ATOM 0 H ALA A 28 15.731 0.001 -3.291 1.00 10.00 H new ATOM 0 HA ALA A 28 12.878 0.140 -3.310 1.00 10.00 H new ATOM 0 HB1 ALA A 28 13.097 -2.330 -3.456 1.00 10.00 H new ATOM 0 HB2 ALA A 28 14.177 -1.509 -4.607 1.00 10.00 H new ATOM 0 HB3 ALA A 28 14.835 -2.189 -3.100 1.00 10.00 H new ATOM 402 N VAL A 29 12.136 -0.326 -1.016 1.00 10.00 N ATOM 403 CA VAL A 29 11.687 -0.541 0.355 1.00 10.00 C ATOM 404 C VAL A 29 10.446 -1.407 0.396 1.00 10.00 C ATOM 405 O VAL A 29 9.572 -1.297 -0.456 1.00 10.00 O ATOM 406 CB VAL A 29 11.394 0.772 1.108 1.00 10.00 C ATOM 407 CG1 VAL A 29 12.651 1.614 1.242 1.00 10.00 C ATOM 408 CG2 VAL A 29 10.297 1.563 0.418 1.00 10.00 C ATOM 0 H VAL A 29 11.426 0.055 -1.641 1.00 10.00 H new ATOM 0 HA VAL A 29 12.514 -1.044 0.855 1.00 10.00 H new ATOM 0 HB VAL A 29 11.049 0.510 2.108 1.00 10.00 H new ATOM 0 HG11 VAL A 29 12.417 2.535 1.777 1.00 10.00 H new ATOM 0 HG12 VAL A 29 13.406 1.055 1.795 1.00 10.00 H new ATOM 0 HG13 VAL A 29 13.033 1.857 0.251 1.00 10.00 H new ATOM 0 HG21 VAL A 29 10.110 2.484 0.970 1.00 10.00 H new ATOM 0 HG22 VAL A 29 10.608 1.805 -0.598 1.00 10.00 H new ATOM 0 HG23 VAL A 29 9.384 0.968 0.386 1.00 10.00 H new ATOM 418 N SER A 30 10.362 -2.248 1.402 1.00 10.00 N ATOM 419 CA SER A 30 9.242 -3.153 1.533 1.00 10.00 C ATOM 420 C SER A 30 8.155 -2.492 2.355 1.00 10.00 C ATOM 421 O SER A 30 8.384 -2.072 3.482 1.00 10.00 O ATOM 422 CB SER A 30 9.705 -4.454 2.183 1.00 10.00 C ATOM 423 OG SER A 30 10.960 -4.867 1.658 1.00 10.00 O ATOM 0 H SER A 30 11.058 -2.324 2.144 1.00 10.00 H new ATOM 0 HA SER A 30 8.838 -3.388 0.548 1.00 10.00 H new ATOM 0 HB2 SER A 30 9.785 -4.318 3.261 1.00 10.00 H new ATOM 0 HB3 SER A 30 8.962 -5.233 2.015 1.00 10.00 H new ATOM 0 HG SER A 30 11.237 -5.702 2.091 1.00 10.00 H new ATOM 429 N VAL A 31 6.981 -2.361 1.768 1.00 10.00 N ATOM 430 CA VAL A 31 5.877 -1.714 2.437 1.00 10.00 C ATOM 431 C VAL A 31 4.674 -2.659 2.552 1.00 10.00 C ATOM 432 O VAL A 31 4.418 -3.480 1.678 1.00 10.00 O ATOM 433 CB VAL A 31 5.473 -0.400 1.702 1.00 10.00 C ATOM 434 CG1 VAL A 31 6.686 0.252 1.034 1.00 10.00 C ATOM 435 CG2 VAL A 31 4.360 -0.632 0.677 1.00 10.00 C ATOM 0 H VAL A 31 6.770 -2.696 0.828 1.00 10.00 H new ATOM 0 HA VAL A 31 6.204 -1.455 3.444 1.00 10.00 H new ATOM 0 HB VAL A 31 5.085 0.280 2.461 1.00 10.00 H new ATOM 0 HG11 VAL A 31 6.375 1.167 0.529 1.00 10.00 H new ATOM 0 HG12 VAL A 31 7.433 0.491 1.791 1.00 10.00 H new ATOM 0 HG13 VAL A 31 7.115 -0.437 0.306 1.00 10.00 H new ATOM 0 HG21 VAL A 31 4.112 0.311 0.190 1.00 10.00 H new ATOM 0 HG22 VAL A 31 4.698 -1.349 -0.071 1.00 10.00 H new ATOM 0 HG23 VAL A 31 3.477 -1.024 1.181 1.00 10.00 H new ATOM 445 N THR A 32 3.981 -2.551 3.663 1.00 10.00 N ATOM 446 CA THR A 32 2.766 -3.306 3.918 1.00 10.00 C ATOM 447 C THR A 32 1.614 -2.338 4.196 1.00 10.00 C ATOM 448 O THR A 32 1.848 -1.175 4.520 1.00 10.00 O ATOM 449 CB THR A 32 2.939 -4.306 5.107 1.00 10.00 C ATOM 450 OG1 THR A 32 1.764 -4.341 5.921 1.00 10.00 O ATOM 451 CG2 THR A 32 4.126 -3.974 5.990 1.00 10.00 C ATOM 0 H THR A 32 4.245 -1.929 4.427 1.00 10.00 H new ATOM 0 HA THR A 32 2.542 -3.899 3.031 1.00 10.00 H new ATOM 0 HB THR A 32 3.114 -5.280 4.650 1.00 10.00 H new ATOM 0 HG1 THR A 32 1.895 -4.974 6.657 1.00 10.00 H new ATOM 0 HG21 THR A 32 4.194 -4.703 6.797 1.00 10.00 H new ATOM 0 HG22 THR A 32 5.040 -4.003 5.397 1.00 10.00 H new ATOM 0 HG23 THR A 32 3.998 -2.977 6.411 1.00 10.00 H new ATOM 459 N VAL A 33 0.375 -2.804 4.061 1.00 10.00 N ATOM 460 CA VAL A 33 -0.784 -1.941 4.243 1.00 10.00 C ATOM 461 C VAL A 33 -1.832 -2.592 5.124 1.00 10.00 C ATOM 462 O VAL A 33 -2.087 -3.790 5.028 1.00 10.00 O ATOM 463 CB VAL A 33 -1.446 -1.555 2.909 1.00 10.00 C ATOM 464 CG1 VAL A 33 -1.223 -0.089 2.600 1.00 10.00 C ATOM 465 CG2 VAL A 33 -0.926 -2.414 1.779 1.00 10.00 C ATOM 0 H VAL A 33 0.150 -3.771 3.827 1.00 10.00 H new ATOM 0 HA VAL A 33 -0.403 -1.040 4.723 1.00 10.00 H new ATOM 0 HB VAL A 33 -2.518 -1.728 3.007 1.00 10.00 H new ATOM 0 HG11 VAL A 33 -1.700 0.160 1.652 1.00 10.00 H new ATOM 0 HG12 VAL A 33 -1.654 0.520 3.394 1.00 10.00 H new ATOM 0 HG13 VAL A 33 -0.153 0.110 2.531 1.00 10.00 H new ATOM 0 HG21 VAL A 33 -1.410 -2.121 0.847 1.00 10.00 H new ATOM 0 HG22 VAL A 33 0.152 -2.280 1.686 1.00 10.00 H new ATOM 0 HG23 VAL A 33 -1.145 -3.461 1.988 1.00 10.00 H new ATOM 475 N GLU A 34 -2.441 -1.783 5.969 1.00 10.00 N ATOM 476 CA GLU A 34 -3.425 -2.264 6.918 1.00 10.00 C ATOM 477 C GLU A 34 -4.818 -1.799 6.493 1.00 10.00 C ATOM 478 O GLU A 34 -5.091 -0.595 6.453 1.00 10.00 O ATOM 479 CB GLU A 34 -3.058 -1.733 8.303 1.00 10.00 C ATOM 480 CG GLU A 34 -3.804 -2.383 9.451 1.00 10.00 C ATOM 481 CD GLU A 34 -3.336 -1.866 10.799 1.00 10.00 C ATOM 482 OE1 GLU A 34 -2.247 -2.285 11.256 1.00 10.00 O ATOM 483 OE2 GLU A 34 -4.043 -1.033 11.401 1.00 10.00 O ATOM 0 H GLU A 34 -2.269 -0.779 6.017 1.00 10.00 H new ATOM 0 HA GLU A 34 -3.434 -3.354 6.947 1.00 10.00 H new ATOM 0 HB2 GLU A 34 -1.988 -1.872 8.458 1.00 10.00 H new ATOM 0 HB3 GLU A 34 -3.247 -0.660 8.327 1.00 10.00 H new ATOM 0 HG2 GLU A 34 -4.872 -2.195 9.342 1.00 10.00 H new ATOM 0 HG3 GLU A 34 -3.664 -3.463 9.409 1.00 10.00 H new ATOM 490 N TYR A 35 -5.681 -2.746 6.134 1.00 10.00 N ATOM 491 CA TYR A 35 -7.013 -2.406 5.646 1.00 10.00 C ATOM 492 C TYR A 35 -8.030 -2.330 6.771 1.00 10.00 C ATOM 493 O TYR A 35 -7.852 -2.922 7.833 1.00 10.00 O ATOM 494 CB TYR A 35 -7.512 -3.404 4.600 1.00 10.00 C ATOM 495 CG TYR A 35 -6.565 -3.631 3.451 1.00 10.00 C ATOM 496 CD1 TYR A 35 -6.587 -2.803 2.340 1.00 10.00 C ATOM 497 CD2 TYR A 35 -5.633 -4.651 3.489 1.00 10.00 C ATOM 498 CE1 TYR A 35 -5.710 -2.993 1.293 1.00 10.00 C ATOM 499 CE2 TYR A 35 -4.747 -4.845 2.449 1.00 10.00 C ATOM 500 CZ TYR A 35 -4.854 -4.079 1.316 1.00 10.00 C ATOM 501 OH TYR A 35 -3.905 -4.211 0.323 1.00 10.00 O ATOM 0 H TYR A 35 -5.484 -3.746 6.171 1.00 10.00 H new ATOM 0 HA TYR A 35 -6.915 -1.423 5.185 1.00 10.00 H new ATOM 0 HB2 TYR A 35 -7.704 -4.359 5.090 1.00 10.00 H new ATOM 0 HB3 TYR A 35 -8.465 -3.051 4.205 1.00 10.00 H new ATOM 0 HD1 TYR A 35 -7.303 -1.996 2.293 1.00 10.00 H new ATOM 0 HD2 TYR A 35 -5.598 -5.307 4.346 1.00 10.00 H new ATOM 0 HE1 TYR A 35 -5.692 -2.301 0.464 1.00 10.00 H new ATOM 0 HE2 TYR A 35 -3.974 -5.595 2.527 1.00 10.00 H new ATOM 0 HH TYR A 35 -3.011 -4.213 0.724 1.00 10.00 H new ATOM 511 N THR A 36 -9.088 -1.578 6.496 1.00 10.00 N ATOM 512 CA THR A 36 -10.239 -1.426 7.372 1.00 10.00 C ATOM 513 C THR A 36 -10.710 -2.749 7.994 1.00 10.00 C ATOM 514 O THR A 36 -10.963 -2.809 9.193 1.00 10.00 O ATOM 515 CB THR A 36 -11.397 -0.764 6.584 1.00 10.00 C ATOM 516 OG1 THR A 36 -11.054 0.591 6.285 1.00 10.00 O ATOM 517 CG2 THR A 36 -12.716 -0.803 7.348 1.00 10.00 C ATOM 0 H THR A 36 -9.170 -1.042 5.632 1.00 10.00 H new ATOM 0 HA THR A 36 -9.930 -0.792 8.203 1.00 10.00 H new ATOM 0 HB THR A 36 -11.538 -1.333 5.665 1.00 10.00 H new ATOM 0 HG1 THR A 36 -10.154 0.623 5.898 1.00 10.00 H new ATOM 0 HG21 THR A 36 -13.495 -0.327 6.753 1.00 10.00 H new ATOM 0 HG22 THR A 36 -12.992 -1.839 7.545 1.00 10.00 H new ATOM 0 HG23 THR A 36 -12.605 -0.271 8.293 1.00 10.00 H new ATOM 525 N HIS A 37 -10.824 -3.807 7.196 1.00 10.00 N ATOM 526 CA HIS A 37 -11.263 -5.094 7.735 1.00 10.00 C ATOM 527 C HIS A 37 -10.095 -6.069 7.811 1.00 10.00 C ATOM 528 O HIS A 37 -9.539 -6.298 8.884 1.00 10.00 O ATOM 529 CB HIS A 37 -12.407 -5.696 6.919 1.00 10.00 C ATOM 530 CG HIS A 37 -13.699 -4.952 7.044 1.00 10.00 C ATOM 531 ND1 HIS A 37 -14.628 -5.196 8.031 1.00 10.00 N ATOM 532 CD2 HIS A 37 -14.214 -3.960 6.287 1.00 10.00 C ATOM 533 CE1 HIS A 37 -15.662 -4.394 7.869 1.00 10.00 C ATOM 534 NE2 HIS A 37 -15.437 -3.629 6.815 1.00 10.00 N ATOM 0 H HIS A 37 -10.624 -3.803 6.196 1.00 10.00 H new ATOM 0 HA HIS A 37 -11.639 -4.912 8.742 1.00 10.00 H new ATOM 0 HB2 HIS A 37 -12.116 -5.724 5.869 1.00 10.00 H new ATOM 0 HB3 HIS A 37 -12.561 -6.728 7.235 1.00 10.00 H new ATOM 0 HD2 HIS A 37 -13.748 -3.509 5.423 1.00 10.00 H new ATOM 0 HE1 HIS A 37 -16.544 -4.367 8.492 1.00 10.00 H new ATOM 0 HE2 HIS A 37 -16.067 -2.912 6.454 1.00 10.00 H new ATOM 543 N GLY A 38 -9.710 -6.638 6.676 1.00 10.00 N ATOM 544 CA GLY A 38 -8.575 -7.530 6.672 1.00 10.00 C ATOM 545 C GLY A 38 -8.553 -8.464 5.480 1.00 10.00 C ATOM 546 O GLY A 38 -9.508 -9.202 5.247 1.00 10.00 O ATOM 0 H GLY A 38 -10.159 -6.498 5.771 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.658 -6.941 6.680 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -8.582 -8.121 7.588 1.00 10.00 H new ATOM 550 N GLN A 39 -7.442 -8.430 4.752 1.00 10.00 N ATOM 551 CA GLN A 39 -7.191 -9.297 3.601 1.00 10.00 C ATOM 552 C GLN A 39 -5.700 -9.260 3.305 1.00 10.00 C ATOM 553 O GLN A 39 -5.038 -8.267 3.610 1.00 10.00 O ATOM 554 CB GLN A 39 -7.970 -8.851 2.346 1.00 10.00 C ATOM 555 CG GLN A 39 -9.407 -9.355 2.272 1.00 10.00 C ATOM 556 CD GLN A 39 -9.499 -10.868 2.363 1.00 10.00 C ATOM 557 OE1 GLN A 39 -9.447 -11.569 1.354 1.00 10.00 O ATOM 558 NE2 GLN A 39 -9.651 -11.379 3.572 1.00 10.00 N ATOM 0 H GLN A 39 -6.674 -7.787 4.947 1.00 10.00 H new ATOM 0 HA GLN A 39 -7.529 -10.304 3.847 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -7.980 -7.762 2.310 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -7.433 -9.194 1.462 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -9.987 -8.910 3.081 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -9.857 -9.023 1.337 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -9.689 -10.764 4.385 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -9.730 -12.389 3.693 1.00 10.00 H new ATOM 567 N TRP A 40 -5.166 -10.326 2.735 1.00 10.00 N ATOM 568 CA TRP A 40 -3.728 -10.412 2.538 1.00 10.00 C ATOM 569 C TRP A 40 -3.268 -9.537 1.369 1.00 10.00 C ATOM 570 O TRP A 40 -3.973 -9.385 0.371 1.00 10.00 O ATOM 571 CB TRP A 40 -3.270 -11.866 2.368 1.00 10.00 C ATOM 572 CG TRP A 40 -3.710 -12.524 1.099 1.00 10.00 C ATOM 573 CD1 TRP A 40 -3.100 -12.434 -0.118 1.00 10.00 C ATOM 574 CD2 TRP A 40 -4.839 -13.385 0.924 1.00 10.00 C ATOM 575 NE1 TRP A 40 -3.783 -13.176 -1.040 1.00 10.00 N ATOM 576 CE2 TRP A 40 -4.854 -13.774 -0.428 1.00 10.00 C ATOM 577 CE3 TRP A 40 -5.838 -13.863 1.775 1.00 10.00 C ATOM 578 CZ2 TRP A 40 -5.827 -14.625 -0.948 1.00 10.00 C ATOM 579 CZ3 TRP A 40 -6.804 -14.707 1.260 1.00 10.00 C ATOM 580 CH2 TRP A 40 -6.793 -15.077 -0.092 1.00 10.00 C ATOM 0 H TRP A 40 -5.696 -11.133 2.405 1.00 10.00 H new ATOM 0 HA TRP A 40 -3.252 -10.025 3.439 1.00 10.00 H new ATOM 0 HB2 TRP A 40 -2.181 -11.896 2.417 1.00 10.00 H new ATOM 0 HB3 TRP A 40 -3.643 -12.449 3.210 1.00 10.00 H new ATOM 0 HD1 TRP A 40 -2.208 -11.860 -0.323 1.00 10.00 H new ATOM 0 HE1 TRP A 40 -3.536 -13.270 -2.025 1.00 10.00 H new ATOM 0 HE3 TRP A 40 -5.855 -13.578 2.817 1.00 10.00 H new ATOM 0 HZ2 TRP A 40 -5.819 -14.917 -1.988 1.00 10.00 H new ATOM 0 HZ3 TRP A 40 -7.579 -15.087 1.909 1.00 10.00 H new ATOM 0 HH2 TRP A 40 -7.565 -15.734 -0.466 1.00 10.00 H new ATOM 591 N ALA A 41 -2.064 -8.995 1.531 1.00 10.00 N ATOM 592 CA ALA A 41 -1.480 -7.970 0.658 1.00 10.00 C ATOM 593 C ALA A 41 -0.360 -7.227 1.393 1.00 10.00 C ATOM 594 O ALA A 41 0.668 -6.942 0.791 1.00 10.00 O ATOM 595 CB ALA A 41 -2.500 -6.940 0.188 1.00 10.00 C ATOM 0 H ALA A 41 -1.445 -9.263 2.296 1.00 10.00 H new ATOM 0 HA ALA A 41 -1.097 -8.497 -0.216 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -2.009 -6.208 -0.454 1.00 10.00 H new ATOM 0 HB2 ALA A 41 -3.291 -7.440 -0.371 1.00 10.00 H new ATOM 0 HB3 ALA A 41 -2.930 -6.434 1.052 1.00 10.00 H new ATOM 601 N PRO A 42 -0.593 -6.843 2.693 1.00 10.00 N ATOM 602 CA PRO A 42 0.386 -6.159 3.573 1.00 10.00 C ATOM 603 C PRO A 42 1.823 -6.729 3.581 1.00 10.00 C ATOM 604 O PRO A 42 2.270 -7.241 4.604 1.00 10.00 O ATOM 605 CB PRO A 42 -0.238 -6.311 4.991 1.00 10.00 C ATOM 606 CG PRO A 42 -1.449 -7.160 4.816 1.00 10.00 C ATOM 607 CD PRO A 42 -1.878 -6.958 3.406 1.00 10.00 C ATOM 0 HA PRO A 42 0.530 -5.139 3.218 1.00 10.00 H new ATOM 0 HB2 PRO A 42 0.468 -6.775 5.680 1.00 10.00 H new ATOM 0 HB3 PRO A 42 -0.500 -5.339 5.409 1.00 10.00 H new ATOM 0 HG2 PRO A 42 -1.224 -8.209 5.011 1.00 10.00 H new ATOM 0 HG3 PRO A 42 -2.236 -6.868 5.511 1.00 10.00 H new ATOM 0 HD2 PRO A 42 -2.472 -7.795 3.039 1.00 10.00 H new ATOM 0 HD3 PRO A 42 -2.487 -6.061 3.292 1.00 10.00 H new ATOM 615 N CYS A 43 2.515 -6.635 2.441 1.00 10.00 N ATOM 616 CA CYS A 43 3.974 -6.806 2.336 1.00 10.00 C ATOM 617 C CYS A 43 4.391 -6.860 0.868 1.00 10.00 C ATOM 618 O CYS A 43 4.239 -7.884 0.206 1.00 10.00 O ATOM 619 CB CYS A 43 4.492 -8.049 3.071 1.00 10.00 C ATOM 620 SG CYS A 43 5.199 -7.688 4.717 1.00 10.00 S ATOM 0 H CYS A 43 2.071 -6.434 1.545 1.00 10.00 H new ATOM 0 HA CYS A 43 4.424 -5.941 2.823 1.00 10.00 H new ATOM 0 HB2 CYS A 43 3.674 -8.760 3.185 1.00 10.00 H new ATOM 0 HB3 CYS A 43 5.252 -8.533 2.457 1.00 10.00 H new ATOM 625 N ARG A 44 4.898 -5.746 0.361 1.00 10.00 N ATOM 626 CA ARG A 44 5.337 -5.654 -1.021 1.00 10.00 C ATOM 627 C ARG A 44 6.500 -4.670 -1.115 1.00 10.00 C ATOM 628 O ARG A 44 6.420 -3.564 -0.589 1.00 10.00 O ATOM 629 CB ARG A 44 4.182 -5.176 -1.914 1.00 10.00 C ATOM 630 CG ARG A 44 3.976 -6.000 -3.186 1.00 10.00 C ATOM 631 CD ARG A 44 5.008 -5.707 -4.285 1.00 10.00 C ATOM 632 NE ARG A 44 5.565 -6.952 -4.832 1.00 10.00 N ATOM 633 CZ ARG A 44 6.697 -7.034 -5.535 1.00 10.00 C ATOM 634 NH1 ARG A 44 7.452 -5.957 -5.719 1.00 10.00 N ATOM 635 NH2 ARG A 44 7.079 -8.211 -6.034 1.00 10.00 N ATOM 0 H ARG A 44 5.016 -4.885 0.894 1.00 10.00 H new ATOM 0 HA ARG A 44 5.659 -6.638 -1.361 1.00 10.00 H new ATOM 0 HB2 ARG A 44 3.260 -5.193 -1.333 1.00 10.00 H new ATOM 0 HB3 ARG A 44 4.363 -4.138 -2.195 1.00 10.00 H new ATOM 0 HG2 ARG A 44 4.019 -7.059 -2.933 1.00 10.00 H new ATOM 0 HG3 ARG A 44 2.977 -5.805 -3.577 1.00 10.00 H new ATOM 0 HD2 ARG A 44 4.540 -5.132 -5.084 1.00 10.00 H new ATOM 0 HD3 ARG A 44 5.812 -5.093 -3.879 1.00 10.00 H new ATOM 0 HE ARG A 44 5.050 -7.816 -4.662 1.00 10.00 H new ATOM 0 HH11 ARG A 44 7.168 -5.061 -5.322 1.00 10.00 H new ATOM 0 HH12 ARG A 44 8.316 -6.026 -6.257 1.00 10.00 H new ATOM 0 HH21 ARG A 44 6.507 -9.041 -5.877 1.00 10.00 H new ATOM 0 HH22 ARG A 44 7.943 -8.281 -6.572 1.00 10.00 H new ATOM 649 N VAL A 45 7.577 -5.065 -1.769 1.00 10.00 N ATOM 650 CA VAL A 45 8.719 -4.173 -1.936 1.00 10.00 C ATOM 651 C VAL A 45 8.489 -3.223 -3.107 1.00 10.00 C ATOM 652 O VAL A 45 7.978 -3.619 -4.160 1.00 10.00 O ATOM 653 CB VAL A 45 10.053 -4.950 -2.115 1.00 10.00 C ATOM 654 CG1 VAL A 45 9.847 -6.193 -2.950 1.00 10.00 C ATOM 655 CG2 VAL A 45 11.130 -4.072 -2.743 1.00 10.00 C ATOM 0 H VAL A 45 7.689 -5.987 -2.191 1.00 10.00 H new ATOM 0 HA VAL A 45 8.809 -3.590 -1.019 1.00 10.00 H new ATOM 0 HB VAL A 45 10.390 -5.246 -1.122 1.00 10.00 H new ATOM 0 HG11 VAL A 45 10.796 -6.719 -3.060 1.00 10.00 H new ATOM 0 HG12 VAL A 45 9.125 -6.846 -2.459 1.00 10.00 H new ATOM 0 HG13 VAL A 45 9.471 -5.912 -3.934 1.00 10.00 H new ATOM 0 HG21 VAL A 45 12.049 -4.647 -2.854 1.00 10.00 H new ATOM 0 HG22 VAL A 45 10.796 -3.730 -3.723 1.00 10.00 H new ATOM 0 HG23 VAL A 45 11.316 -3.210 -2.102 1.00 10.00 H new ATOM 665 N ILE A 46 8.833 -1.967 -2.889 1.00 10.00 N ATOM 666 CA ILE A 46 8.677 -0.930 -3.865 1.00 10.00 C ATOM 667 C ILE A 46 9.978 -0.720 -4.593 1.00 10.00 C ATOM 668 O ILE A 46 11.057 -0.888 -4.024 1.00 10.00 O ATOM 669 CB ILE A 46 8.276 0.398 -3.181 1.00 10.00 C ATOM 670 CG1 ILE A 46 7.144 1.081 -3.925 1.00 10.00 C ATOM 671 CG2 ILE A 46 9.463 1.334 -3.030 1.00 10.00 C ATOM 672 CD1 ILE A 46 5.789 0.530 -3.557 1.00 10.00 C ATOM 0 H ILE A 46 9.235 -1.644 -2.009 1.00 10.00 H new ATOM 0 HA ILE A 46 7.897 -1.230 -4.565 1.00 10.00 H new ATOM 0 HB ILE A 46 7.922 0.149 -2.181 1.00 10.00 H new ATOM 0 HG12 ILE A 46 7.167 2.150 -3.712 1.00 10.00 H new ATOM 0 HG13 ILE A 46 7.299 0.967 -4.998 1.00 10.00 H new ATOM 0 HG21 ILE A 46 9.140 2.256 -2.545 1.00 10.00 H new ATOM 0 HG22 ILE A 46 10.230 0.854 -2.422 1.00 10.00 H new ATOM 0 HG23 ILE A 46 9.871 1.565 -4.014 1.00 10.00 H new ATOM 0 HD11 ILE A 46 5.017 1.056 -4.119 1.00 10.00 H new ATOM 0 HD12 ILE A 46 5.751 -0.533 -3.796 1.00 10.00 H new ATOM 0 HD13 ILE A 46 5.618 0.668 -2.489 1.00 10.00 H new ATOM 684 N GLU A 47 9.871 -0.392 -5.845 1.00 10.00 N ATOM 685 CA GLU A 47 11.002 0.092 -6.581 1.00 10.00 C ATOM 686 C GLU A 47 11.113 1.586 -6.344 1.00 10.00 C ATOM 687 O GLU A 47 10.089 2.255 -6.239 1.00 10.00 O ATOM 688 CB GLU A 47 10.831 -0.251 -8.053 1.00 10.00 C ATOM 689 CG GLU A 47 10.456 -1.707 -8.243 1.00 10.00 C ATOM 690 CD GLU A 47 10.452 -2.127 -9.694 1.00 10.00 C ATOM 691 OE1 GLU A 47 11.549 -2.339 -10.255 1.00 10.00 O ATOM 692 OE2 GLU A 47 9.355 -2.262 -10.280 1.00 10.00 O ATOM 0 H GLU A 47 9.006 -0.451 -6.382 1.00 10.00 H new ATOM 0 HA GLU A 47 11.927 -0.379 -6.248 1.00 10.00 H new ATOM 0 HB2 GLU A 47 10.060 0.384 -8.489 1.00 10.00 H new ATOM 0 HB3 GLU A 47 11.757 -0.040 -8.587 1.00 10.00 H new ATOM 0 HG2 GLU A 47 11.157 -2.333 -7.691 1.00 10.00 H new ATOM 0 HG3 GLU A 47 9.468 -1.881 -7.816 1.00 10.00 H new ATOM 699 N PRO A 48 12.330 2.109 -6.168 1.00 10.00 N ATOM 700 CA PRO A 48 12.570 3.543 -6.013 1.00 10.00 C ATOM 701 C PRO A 48 11.764 4.376 -7.006 1.00 10.00 C ATOM 702 O PRO A 48 12.129 4.487 -8.180 1.00 10.00 O ATOM 703 CB PRO A 48 14.065 3.702 -6.307 1.00 10.00 C ATOM 704 CG PRO A 48 14.666 2.334 -6.285 1.00 10.00 C ATOM 705 CD PRO A 48 13.562 1.329 -6.061 1.00 10.00 C ATOM 0 HA PRO A 48 12.274 3.889 -5.023 1.00 10.00 H new ATOM 0 HB2 PRO A 48 14.218 4.174 -7.277 1.00 10.00 H new ATOM 0 HB3 PRO A 48 14.538 4.342 -5.562 1.00 10.00 H new ATOM 0 HG2 PRO A 48 15.179 2.130 -7.225 1.00 10.00 H new ATOM 0 HG3 PRO A 48 15.411 2.261 -5.493 1.00 10.00 H new ATOM 0 HD2 PRO A 48 13.593 0.533 -6.804 1.00 10.00 H new ATOM 0 HD3 PRO A 48 13.648 0.856 -5.083 1.00 10.00 H new ATOM 713 N GLY A 49 10.642 4.915 -6.549 1.00 10.00 N ATOM 714 CA GLY A 49 9.840 5.759 -7.412 1.00 10.00 C ATOM 715 C GLY A 49 8.672 5.017 -8.025 1.00 10.00 C ATOM 716 O GLY A 49 7.915 5.585 -8.816 1.00 10.00 O ATOM 0 H GLY A 49 10.275 4.785 -5.606 1.00 10.00 H new ATOM 0 HA2 GLY A 49 9.467 6.608 -6.840 1.00 10.00 H new ATOM 0 HA3 GLY A 49 10.468 6.162 -8.207 1.00 10.00 H new ATOM 720 N GLY A 50 8.514 3.751 -7.661 1.00 10.00 N ATOM 721 CA GLY A 50 7.465 2.941 -8.234 1.00 10.00 C ATOM 722 C GLY A 50 6.206 2.923 -7.393 1.00 10.00 C ATOM 723 O GLY A 50 6.085 3.668 -6.416 1.00 10.00 O ATOM 0 H GLY A 50 9.098 3.272 -6.976 1.00 10.00 H new ATOM 0 HA2 GLY A 50 7.226 3.317 -9.229 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.828 1.921 -8.357 1.00 10.00 H new ATOM 727 N TRP A 51 5.284 2.049 -7.773 1.00 10.00 N ATOM 728 CA TRP A 51 3.996 1.929 -7.111 1.00 10.00 C ATOM 729 C TRP A 51 3.796 0.534 -6.547 1.00 10.00 C ATOM 730 O TRP A 51 4.524 -0.405 -6.880 1.00 10.00 O ATOM 731 CB TRP A 51 2.856 2.233 -8.090 1.00 10.00 C ATOM 732 CG TRP A 51 2.507 3.687 -8.227 1.00 10.00 C ATOM 733 CD1 TRP A 51 3.232 4.764 -7.818 1.00 10.00 C ATOM 734 CD2 TRP A 51 1.318 4.212 -8.821 1.00 10.00 C ATOM 735 NE1 TRP A 51 2.567 5.921 -8.139 1.00 10.00 N ATOM 736 CE2 TRP A 51 1.391 5.608 -8.752 1.00 10.00 C ATOM 737 CE3 TRP A 51 0.203 3.630 -9.409 1.00 10.00 C ATOM 738 CZ2 TRP A 51 0.388 6.433 -9.247 1.00 10.00 C ATOM 739 CZ3 TRP A 51 -0.796 4.444 -9.902 1.00 10.00 C ATOM 740 CH2 TRP A 51 -0.698 5.834 -9.819 1.00 10.00 C ATOM 0 H TRP A 51 5.410 1.402 -8.552 1.00 10.00 H new ATOM 0 HA TRP A 51 3.984 2.650 -6.294 1.00 10.00 H new ATOM 0 HB2 TRP A 51 3.128 1.846 -9.072 1.00 10.00 H new ATOM 0 HB3 TRP A 51 1.967 1.690 -7.769 1.00 10.00 H new ATOM 0 HD1 TRP A 51 4.187 4.715 -7.316 1.00 10.00 H new ATOM 0 HE1 TRP A 51 2.900 6.866 -7.949 1.00 10.00 H new ATOM 0 HE3 TRP A 51 0.119 2.556 -9.479 1.00 10.00 H new ATOM 0 HZ2 TRP A 51 0.465 7.508 -9.182 1.00 10.00 H new ATOM 0 HZ3 TRP A 51 -1.667 3.999 -10.359 1.00 10.00 H new ATOM 0 HH2 TRP A 51 -1.495 6.447 -10.214 1.00 10.00 H new ATOM 751 N ALA A 52 2.792 0.424 -5.698 1.00 10.00 N ATOM 752 CA ALA A 52 2.325 -0.842 -5.177 1.00 10.00 C ATOM 753 C ALA A 52 0.817 -0.764 -5.073 1.00 10.00 C ATOM 754 O ALA A 52 0.274 0.067 -4.355 1.00 10.00 O ATOM 755 CB ALA A 52 2.959 -1.158 -3.825 1.00 10.00 C ATOM 0 H ALA A 52 2.271 1.227 -5.346 1.00 10.00 H new ATOM 0 HA ALA A 52 2.615 -1.652 -5.846 1.00 10.00 H new ATOM 0 HB1 ALA A 52 2.586 -2.116 -3.463 1.00 10.00 H new ATOM 0 HB2 ALA A 52 4.042 -1.208 -3.934 1.00 10.00 H new ATOM 0 HB3 ALA A 52 2.702 -0.375 -3.111 1.00 10.00 H new ATOM 761 N THR A 53 0.152 -1.591 -5.844 1.00 10.00 N ATOM 762 CA THR A 53 -1.292 -1.571 -5.925 1.00 10.00 C ATOM 763 C THR A 53 -1.895 -2.346 -4.785 1.00 10.00 C ATOM 764 O THR A 53 -1.540 -3.503 -4.551 1.00 10.00 O ATOM 765 CB THR A 53 -1.743 -2.190 -7.254 1.00 10.00 C ATOM 766 OG1 THR A 53 -1.122 -1.496 -8.345 1.00 10.00 O ATOM 767 CG2 THR A 53 -3.259 -2.159 -7.390 1.00 10.00 C ATOM 0 H THR A 53 0.594 -2.297 -6.433 1.00 10.00 H new ATOM 0 HA THR A 53 -1.629 -0.536 -5.866 1.00 10.00 H new ATOM 0 HB THR A 53 -1.434 -3.235 -7.273 1.00 10.00 H new ATOM 0 HG1 THR A 53 -1.602 -0.659 -8.515 1.00 10.00 H new ATOM 0 HG21 THR A 53 -3.548 -2.604 -8.342 1.00 10.00 H new ATOM 0 HG22 THR A 53 -3.709 -2.724 -6.573 1.00 10.00 H new ATOM 0 HG23 THR A 53 -3.607 -1.127 -7.352 1.00 10.00 H new ATOM 775 N PHE A 54 -2.828 -1.722 -4.090 1.00 10.00 N ATOM 776 CA PHE A 54 -3.451 -2.352 -2.948 1.00 10.00 C ATOM 777 C PHE A 54 -4.942 -2.113 -3.016 1.00 10.00 C ATOM 778 O PHE A 54 -5.379 -1.068 -3.503 1.00 10.00 O ATOM 779 CB PHE A 54 -2.845 -1.846 -1.620 1.00 10.00 C ATOM 780 CG PHE A 54 -1.401 -2.241 -1.440 1.00 10.00 C ATOM 781 CD1 PHE A 54 -1.030 -3.583 -1.415 1.00 10.00 C ATOM 782 CD2 PHE A 54 -0.410 -1.278 -1.309 1.00 10.00 C ATOM 783 CE1 PHE A 54 0.288 -3.951 -1.260 1.00 10.00 C ATOM 784 CE2 PHE A 54 0.911 -1.648 -1.156 1.00 10.00 C ATOM 785 CZ PHE A 54 1.262 -2.983 -1.131 1.00 10.00 C ATOM 0 H PHE A 54 -3.168 -0.783 -4.298 1.00 10.00 H new ATOM 0 HA PHE A 54 -3.261 -3.425 -2.977 1.00 10.00 H new ATOM 0 HB2 PHE A 54 -2.926 -0.760 -1.581 1.00 10.00 H new ATOM 0 HB3 PHE A 54 -3.429 -2.239 -0.788 1.00 10.00 H new ATOM 0 HD1 PHE A 54 -1.787 -4.346 -1.519 1.00 10.00 H new ATOM 0 HD2 PHE A 54 -0.675 -0.231 -1.327 1.00 10.00 H new ATOM 0 HE1 PHE A 54 0.559 -4.996 -1.239 1.00 10.00 H new ATOM 0 HE2 PHE A 54 1.673 -0.890 -1.055 1.00 10.00 H new ATOM 0 HZ PHE A 54 2.297 -3.269 -1.011 1.00 10.00 H new ATOM 795 N ALA A 55 -5.708 -3.101 -2.585 1.00 10.00 N ATOM 796 CA ALA A 55 -7.154 -3.042 -2.678 1.00 10.00 C ATOM 797 C ALA A 55 -7.687 -1.818 -1.963 1.00 10.00 C ATOM 798 O ALA A 55 -7.755 -1.776 -0.733 1.00 10.00 O ATOM 799 CB ALA A 55 -7.772 -4.314 -2.118 1.00 10.00 C ATOM 0 H ALA A 55 -5.348 -3.958 -2.165 1.00 10.00 H new ATOM 0 HA ALA A 55 -7.432 -2.962 -3.729 1.00 10.00 H new ATOM 0 HB1 ALA A 55 -8.858 -4.255 -2.194 1.00 10.00 H new ATOM 0 HB2 ALA A 55 -7.414 -5.173 -2.686 1.00 10.00 H new ATOM 0 HB3 ALA A 55 -7.488 -4.427 -1.072 1.00 10.00 H new ATOM 805 N GLY A 56 -8.026 -0.813 -2.755 1.00 10.00 N ATOM 806 CA GLY A 56 -8.562 0.402 -2.210 1.00 10.00 C ATOM 807 C GLY A 56 -9.948 0.192 -1.635 1.00 10.00 C ATOM 808 O GLY A 56 -10.399 -0.944 -1.481 1.00 10.00 O ATOM 0 H GLY A 56 -7.936 -0.824 -3.771 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -7.897 0.776 -1.431 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -8.602 1.164 -2.988 1.00 10.00 H new ATOM 812 N TYR A 57 -10.643 1.269 -1.349 1.00 10.00 N ATOM 813 CA TYR A 57 -11.924 1.164 -0.686 1.00 10.00 C ATOM 814 C TYR A 57 -13.049 0.961 -1.706 1.00 10.00 C ATOM 815 O TYR A 57 -13.789 1.880 -2.051 1.00 10.00 O ATOM 816 CB TYR A 57 -12.160 2.393 0.205 1.00 10.00 C ATOM 817 CG TYR A 57 -12.284 3.717 -0.537 1.00 10.00 C ATOM 818 CD1 TYR A 57 -11.241 4.204 -1.319 1.00 10.00 C ATOM 819 CD2 TYR A 57 -13.447 4.480 -0.458 1.00 10.00 C ATOM 820 CE1 TYR A 57 -11.353 5.401 -1.996 1.00 10.00 C ATOM 821 CE2 TYR A 57 -13.562 5.679 -1.133 1.00 10.00 C ATOM 822 CZ TYR A 57 -12.511 6.134 -1.903 1.00 10.00 C ATOM 823 OH TYR A 57 -12.620 7.325 -2.580 1.00 10.00 O ATOM 0 H TYR A 57 -10.347 2.221 -1.563 1.00 10.00 H new ATOM 0 HA TYR A 57 -11.921 0.286 -0.040 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -13.069 2.233 0.784 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.338 2.469 0.917 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -10.327 3.634 -1.397 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -14.273 4.127 0.142 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -10.532 5.761 -2.598 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -14.470 6.258 -1.059 1.00 10.00 H new ATOM 0 HH TYR A 57 -11.886 7.919 -2.318 1.00 10.00 H new ATOM 887 N TYR A 63 -10.368 -1.006 3.040 1.00 10.00 N ATOM 888 CA TYR A 63 -9.769 0.293 2.780 1.00 10.00 C ATOM 889 C TYR A 63 -8.465 0.383 3.533 1.00 10.00 C ATOM 890 O TYR A 63 -8.439 0.254 4.750 1.00 10.00 O ATOM 891 CB TYR A 63 -10.686 1.444 3.197 1.00 10.00 C ATOM 892 CG TYR A 63 -10.057 2.812 3.017 1.00 10.00 C ATOM 893 CD1 TYR A 63 -9.423 3.155 1.830 1.00 10.00 C ATOM 894 CD2 TYR A 63 -10.100 3.757 4.033 1.00 10.00 C ATOM 895 CE1 TYR A 63 -8.851 4.399 1.660 1.00 10.00 C ATOM 896 CE2 TYR A 63 -9.531 5.007 3.870 1.00 10.00 C ATOM 897 CZ TYR A 63 -8.908 5.321 2.681 1.00 10.00 C ATOM 898 OH TYR A 63 -8.343 6.564 2.511 1.00 10.00 O ATOM 0 HA TYR A 63 -9.603 0.385 1.707 1.00 10.00 H new ATOM 0 HB2 TYR A 63 -11.605 1.396 2.614 1.00 10.00 H new ATOM 0 HB3 TYR A 63 -10.965 1.316 4.243 1.00 10.00 H new ATOM 0 HD1 TYR A 63 -9.377 2.435 1.026 1.00 10.00 H new ATOM 0 HD2 TYR A 63 -10.586 3.512 4.966 1.00 10.00 H new ATOM 0 HE1 TYR A 63 -8.361 4.648 0.730 1.00 10.00 H new ATOM 0 HE2 TYR A 63 -9.574 5.732 4.669 1.00 10.00 H new ATOM 0 HH TYR A 63 -8.471 7.095 3.324 1.00 10.00 H new ATOM 908 N VAL A 64 -7.382 0.553 2.808 1.00 10.00 N ATOM 909 CA VAL A 64 -6.087 0.719 3.431 1.00 10.00 C ATOM 910 C VAL A 64 -6.086 2.005 4.243 1.00 10.00 C ATOM 911 O VAL A 64 -6.530 3.055 3.772 1.00 10.00 O ATOM 912 CB VAL A 64 -4.941 0.710 2.387 1.00 10.00 C ATOM 913 CG1 VAL A 64 -5.502 0.478 0.990 1.00 10.00 C ATOM 914 CG2 VAL A 64 -4.128 1.996 2.440 1.00 10.00 C ATOM 0 H VAL A 64 -7.371 0.580 1.788 1.00 10.00 H new ATOM 0 HA VAL A 64 -5.906 -0.126 4.095 1.00 10.00 H new ATOM 0 HB VAL A 64 -4.267 -0.111 2.633 1.00 10.00 H new ATOM 0 HG11 VAL A 64 -4.687 0.474 0.267 1.00 10.00 H new ATOM 0 HG12 VAL A 64 -6.018 -0.481 0.960 1.00 10.00 H new ATOM 0 HG13 VAL A 64 -6.203 1.275 0.742 1.00 10.00 H new ATOM 0 HG21 VAL A 64 -3.333 1.955 1.695 1.00 10.00 H new ATOM 0 HG22 VAL A 64 -4.778 2.846 2.231 1.00 10.00 H new ATOM 0 HG23 VAL A 64 -3.690 2.109 3.432 1.00 10.00 H new ATOM 924 N THR A 65 -5.633 1.915 5.479 1.00 10.00 N ATOM 925 CA THR A 65 -5.656 3.061 6.366 1.00 10.00 C ATOM 926 C THR A 65 -4.270 3.379 6.896 1.00 10.00 C ATOM 927 O THR A 65 -3.991 4.515 7.284 1.00 10.00 O ATOM 928 CB THR A 65 -6.599 2.821 7.564 1.00 10.00 C ATOM 929 OG1 THR A 65 -6.191 1.635 8.265 1.00 10.00 O ATOM 930 CG2 THR A 65 -8.053 2.676 7.121 1.00 10.00 C ATOM 0 H THR A 65 -5.247 1.065 5.889 1.00 10.00 H new ATOM 0 HA THR A 65 -6.020 3.904 5.779 1.00 10.00 H new ATOM 0 HB THR A 65 -6.534 3.689 8.220 1.00 10.00 H new ATOM 0 HG1 THR A 65 -5.946 0.941 7.618 1.00 10.00 H new ATOM 0 HG21 THR A 65 -8.684 2.508 7.994 1.00 10.00 H new ATOM 0 HG22 THR A 65 -8.371 3.586 6.613 1.00 10.00 H new ATOM 0 HG23 THR A 65 -8.143 1.830 6.440 1.00 10.00 H new ATOM 938 N GLY A 66 -3.407 2.377 6.921 1.00 10.00 N ATOM 939 CA GLY A 66 -2.073 2.581 7.435 1.00 10.00 C ATOM 940 C GLY A 66 -1.036 1.788 6.682 1.00 10.00 C ATOM 941 O GLY A 66 -1.159 0.573 6.531 1.00 10.00 O ATOM 0 H GLY A 66 -3.606 1.431 6.596 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -1.825 3.641 7.381 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -2.046 2.300 8.488 1.00 10.00 H new ATOM 945 N LEU A 67 -0.030 2.481 6.191 1.00 10.00 N ATOM 946 CA LEU A 67 1.121 1.832 5.594 1.00 10.00 C ATOM 947 C LEU A 67 2.128 1.492 6.682 1.00 10.00 C ATOM 948 O LEU A 67 2.379 2.286 7.590 1.00 10.00 O ATOM 949 CB LEU A 67 1.772 2.718 4.527 1.00 10.00 C ATOM 950 CG LEU A 67 1.376 2.432 3.075 1.00 10.00 C ATOM 951 CD1 LEU A 67 1.750 3.610 2.205 1.00 10.00 C ATOM 952 CD2 LEU A 67 2.088 1.207 2.538 1.00 10.00 C ATOM 0 H LEU A 67 0.015 3.500 6.193 1.00 10.00 H new ATOM 0 HA LEU A 67 0.787 0.918 5.103 1.00 10.00 H new ATOM 0 HB2 LEU A 67 1.529 3.757 4.750 1.00 10.00 H new ATOM 0 HB3 LEU A 67 2.854 2.618 4.613 1.00 10.00 H new ATOM 0 HG LEU A 67 0.300 2.258 3.055 1.00 10.00 H new ATOM 0 HD11 LEU A 67 1.467 3.404 1.173 1.00 10.00 H new ATOM 0 HD12 LEU A 67 1.227 4.500 2.554 1.00 10.00 H new ATOM 0 HD13 LEU A 67 2.826 3.776 2.260 1.00 10.00 H new ATOM 0 HD21 LEU A 67 1.784 1.033 1.506 1.00 10.00 H new ATOM 0 HD22 LEU A 67 3.166 1.366 2.577 1.00 10.00 H new ATOM 0 HD23 LEU A 67 1.827 0.340 3.144 1.00 10.00 H new ATOM 964 N HIS A 68 2.689 0.311 6.583 1.00 10.00 N ATOM 965 CA HIS A 68 3.654 -0.185 7.548 1.00 10.00 C ATOM 966 C HIS A 68 4.898 -0.647 6.808 1.00 10.00 C ATOM 967 O HIS A 68 4.789 -1.123 5.691 1.00 10.00 O ATOM 968 CB HIS A 68 3.050 -1.366 8.309 1.00 10.00 C ATOM 969 CG HIS A 68 2.315 -0.992 9.561 1.00 10.00 C ATOM 970 ND1 HIS A 68 2.895 -1.032 10.810 1.00 10.00 N ATOM 971 CD2 HIS A 68 1.029 -0.610 9.757 1.00 10.00 C ATOM 972 CE1 HIS A 68 1.998 -0.701 11.721 1.00 10.00 C ATOM 973 NE2 HIS A 68 0.856 -0.441 11.112 1.00 10.00 N ATOM 0 H HIS A 68 2.490 -0.342 5.825 1.00 10.00 H new ATOM 0 HA HIS A 68 3.913 0.606 8.252 1.00 10.00 H new ATOM 0 HB2 HIS A 68 2.366 -1.896 7.647 1.00 10.00 H new ATOM 0 HB3 HIS A 68 3.848 -2.062 8.566 1.00 10.00 H new ATOM 0 HD2 HIS A 68 0.280 -0.465 8.992 1.00 10.00 H new ATOM 0 HE1 HIS A 68 2.170 -0.651 12.786 1.00 10.00 H new ATOM 0 HE2 HIS A 68 -0.011 -0.161 11.570 1.00 10.00 H new ATOM 982 N THR A 69 6.076 -0.497 7.374 1.00 10.00 N ATOM 983 CA THR A 69 7.262 -0.963 6.677 1.00 10.00 C ATOM 984 C THR A 69 7.407 -2.471 6.833 1.00 10.00 C ATOM 985 O THR A 69 7.358 -2.995 7.944 1.00 10.00 O ATOM 986 CB THR A 69 8.536 -0.261 7.164 1.00 10.00 C ATOM 987 OG1 THR A 69 8.195 0.803 8.064 1.00 10.00 O ATOM 988 CG2 THR A 69 9.324 0.296 5.980 1.00 10.00 C ATOM 0 H THR A 69 6.240 -0.070 8.286 1.00 10.00 H new ATOM 0 HA THR A 69 7.134 -0.715 5.623 1.00 10.00 H new ATOM 0 HB THR A 69 9.156 -0.989 7.687 1.00 10.00 H new ATOM 0 HG1 THR A 69 9.013 1.246 8.372 1.00 10.00 H new ATOM 0 HG21 THR A 69 10.225 0.791 6.343 1.00 10.00 H new ATOM 0 HG22 THR A 69 9.602 -0.519 5.312 1.00 10.00 H new ATOM 0 HG23 THR A 69 8.708 1.015 5.439 1.00 10.00 H new ATOM 996 N CYS A 70 7.556 -3.155 5.714 1.00 10.00 N ATOM 997 CA CYS A 70 7.648 -4.604 5.709 1.00 10.00 C ATOM 998 C CYS A 70 9.117 -5.032 5.743 1.00 10.00 C ATOM 999 O CYS A 70 9.993 -4.269 5.329 1.00 10.00 O ATOM 1000 CB CYS A 70 6.960 -5.187 4.464 1.00 10.00 C ATOM 1001 SG CYS A 70 7.072 -7.005 4.312 1.00 10.00 S ATOM 0 H CYS A 70 7.616 -2.727 4.790 1.00 10.00 H new ATOM 0 HA CYS A 70 7.141 -4.987 6.595 1.00 10.00 H new ATOM 0 HB2 CYS A 70 5.908 -4.901 4.479 1.00 10.00 H new ATOM 0 HB3 CYS A 70 7.401 -4.734 3.576 1.00 10.00 H new ATOM 1006 N ASP A 71 9.391 -6.236 6.229 1.00 10.00 N ATOM 1007 CA ASP A 71 10.734 -6.791 6.173 1.00 10.00 C ATOM 1008 C ASP A 71 10.758 -7.928 5.170 1.00 10.00 C ATOM 1009 O ASP A 71 9.746 -8.592 4.997 1.00 10.00 O ATOM 1010 CB ASP A 71 11.201 -7.302 7.544 1.00 10.00 C ATOM 1011 CG ASP A 71 10.400 -8.491 8.050 1.00 10.00 C ATOM 1012 OD1 ASP A 71 9.208 -8.312 8.380 1.00 10.00 O ATOM 1013 OD2 ASP A 71 10.954 -9.608 8.120 1.00 10.00 O ATOM 0 H ASP A 71 8.700 -6.846 6.666 1.00 10.00 H new ATOM 0 HA ASP A 71 11.417 -5.998 5.868 1.00 10.00 H new ATOM 0 HB2 ASP A 71 12.252 -7.582 7.480 1.00 10.00 H new ATOM 0 HB3 ASP A 71 11.131 -6.491 8.269 1.00 10.00 H new