USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 509 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 Single : A 1 SER N :NH3+ -170:sc= 0 (180deg=-0.123) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 81:sc= 0.00504 USER MOD Single : A 8 CYS SG : rot 78:sc= 0.819 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0238 K(o=-0.024,f=-1.3!) USER MOD Single : A 32 THR OG1 : rot -0:sc= 0.512 USER MOD Single : A 35 GLN : amide:sc= -0.0906 X(o=-0.091,f=-0.12) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.307 USER MOD Single : A 48 SER OG : rot 80:sc= 0.555 USER MOD Single : A 50 THR OG1 : rot -18:sc= 0.83 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.521 K(o=0.52,f=-6.6!) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 0.961 (180deg=0.919) USER MOD Single : A 64 MET CE :methyl -175:sc= -0.763 (180deg=-0.824) USER MOD Single : A 65 MET CE :methyl -164:sc= -0.0465 (180deg=-0.365) USER MOD Single : A 67 ASN : amide:sc=-0.00877 X(o=-0.0088,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.795 0.314 2.495 1.00 0.00 N ATOM 2 CA SER A 1 -14.511 -0.365 2.376 1.00 0.00 C ATOM 3 C SER A 1 -13.387 0.471 2.975 1.00 0.00 C ATOM 4 O SER A 1 -12.490 -0.057 3.632 1.00 0.00 O ATOM 5 CB SER A 1 -14.218 -0.676 0.921 1.00 0.00 C ATOM 6 OG SER A 1 -15.192 -1.510 0.355 1.00 0.00 O ATOM 0 H1 SER A 1 -16.560 -0.342 2.237 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.929 0.633 3.476 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.814 1.136 1.858 1.00 0.00 H new ATOM 0 HA SER A 1 -14.569 -1.299 2.935 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.164 0.254 0.355 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.242 -1.154 0.842 1.00 0.00 H new ATOM 0 HG SER A 1 -14.968 -1.685 -0.583 1.00 0.00 H new ATOM 14 N GLU A 2 -13.443 1.778 2.746 1.00 0.00 N ATOM 15 CA GLU A 2 -12.388 2.681 3.193 1.00 0.00 C ATOM 16 C GLU A 2 -12.257 2.666 4.710 1.00 0.00 C ATOM 17 O GLU A 2 -11.171 2.877 5.252 1.00 0.00 O ATOM 18 CB GLU A 2 -12.657 4.105 2.702 1.00 0.00 C ATOM 19 CG GLU A 2 -12.482 4.297 1.203 1.00 0.00 C ATOM 20 CD GLU A 2 -12.892 5.680 0.777 1.00 0.00 C ATOM 21 OE1 GLU A 2 -13.354 6.424 1.608 1.00 0.00 O ATOM 22 OE2 GLU A 2 -12.640 6.031 -0.351 1.00 0.00 O ATOM 0 H GLU A 2 -14.209 2.237 2.253 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.448 2.332 2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.675 4.384 2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.988 4.789 3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.441 4.124 0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.078 3.558 0.668 1.00 0.00 H new ATOM 29 N GLU A 3 -13.369 2.415 5.393 1.00 0.00 N ATOM 30 CA GLU A 3 -13.363 2.279 6.845 1.00 0.00 C ATOM 31 C GLU A 3 -12.471 1.126 7.285 1.00 0.00 C ATOM 32 O GLU A 3 -11.720 1.244 8.253 1.00 0.00 O ATOM 33 CB GLU A 3 -14.786 2.074 7.369 1.00 0.00 C ATOM 34 CG GLU A 3 -14.888 1.964 8.884 1.00 0.00 C ATOM 35 CD GLU A 3 -16.316 1.808 9.326 1.00 0.00 C ATOM 36 OE1 GLU A 3 -17.181 1.804 8.484 1.00 0.00 O ATOM 37 OE2 GLU A 3 -16.535 1.582 10.493 1.00 0.00 O ATOM 0 H GLU A 3 -14.287 2.301 4.963 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.961 3.201 7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.407 2.905 7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.198 1.169 6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.303 1.111 9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.458 2.853 9.345 1.00 0.00 H new ATOM 44 N GLU A 4 -12.558 0.010 6.570 1.00 0.00 N ATOM 45 CA GLU A 4 -11.735 -1.157 6.867 1.00 0.00 C ATOM 46 C GLU A 4 -10.296 -0.946 6.416 1.00 0.00 C ATOM 47 O GLU A 4 -9.362 -1.469 7.024 1.00 0.00 O ATOM 48 CB GLU A 4 -12.317 -2.406 6.201 1.00 0.00 C ATOM 49 CG GLU A 4 -13.652 -2.860 6.773 1.00 0.00 C ATOM 50 CD GLU A 4 -14.197 -4.041 6.019 1.00 0.00 C ATOM 51 OE1 GLU A 4 -13.568 -4.463 5.078 1.00 0.00 O ATOM 52 OE2 GLU A 4 -15.182 -4.593 6.450 1.00 0.00 O ATOM 0 H GLU A 4 -13.191 -0.111 5.779 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.736 -1.299 7.948 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.440 -2.211 5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.599 -3.221 6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.529 -3.122 7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.366 -2.038 6.731 1.00 0.00 H new ATOM 59 N LEU A 5 -10.123 -0.176 5.347 1.00 0.00 N ATOM 60 CA LEU A 5 -8.795 0.119 4.822 1.00 0.00 C ATOM 61 C LEU A 5 -8.068 1.131 5.698 1.00 0.00 C ATOM 62 O LEU A 5 -6.839 1.196 5.700 1.00 0.00 O ATOM 63 CB LEU A 5 -8.897 0.634 3.382 1.00 0.00 C ATOM 64 CG LEU A 5 -9.456 -0.371 2.366 1.00 0.00 C ATOM 65 CD1 LEU A 5 -9.501 0.258 0.980 1.00 0.00 C ATOM 66 CD2 LEU A 5 -8.592 -1.624 2.361 1.00 0.00 C ATOM 0 H LEU A 5 -10.887 0.255 4.827 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.216 -0.805 4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.528 1.523 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.905 0.945 3.053 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.472 -0.647 2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.899 -0.463 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.142 1.140 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -8.494 0.548 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -8.990 -2.337 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.571 -1.361 2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.596 -2.073 3.354 1.00 0.00 H new ATOM 78 N SER A 6 -8.836 1.922 6.440 1.00 0.00 N ATOM 79 CA SER A 6 -8.273 2.788 7.469 1.00 0.00 C ATOM 80 C SER A 6 -7.650 1.974 8.596 1.00 0.00 C ATOM 81 O SER A 6 -6.590 2.322 9.114 1.00 0.00 O ATOM 82 CB SER A 6 -9.344 3.713 8.016 1.00 0.00 C ATOM 83 OG SER A 6 -8.847 4.562 9.013 1.00 0.00 O ATOM 0 H SER A 6 -9.850 1.981 6.348 1.00 0.00 H new ATOM 0 HA SER A 6 -7.484 3.387 7.013 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.756 4.311 7.203 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.163 3.119 8.421 1.00 0.00 H new ATOM 0 HG SER A 6 -8.382 5.318 8.597 1.00 0.00 H new ATOM 89 N GLU A 7 -8.316 0.886 8.970 1.00 0.00 N ATOM 90 CA GLU A 7 -7.781 -0.033 9.968 1.00 0.00 C ATOM 91 C GLU A 7 -6.538 -0.745 9.451 1.00 0.00 C ATOM 92 O GLU A 7 -5.561 -0.919 10.180 1.00 0.00 O ATOM 93 CB GLU A 7 -8.842 -1.058 10.376 1.00 0.00 C ATOM 94 CG GLU A 7 -10.000 -0.479 11.177 1.00 0.00 C ATOM 95 CD GLU A 7 -11.062 -1.515 11.427 1.00 0.00 C ATOM 96 OE1 GLU A 7 -10.933 -2.605 10.924 1.00 0.00 O ATOM 97 OE2 GLU A 7 -11.945 -1.253 12.210 1.00 0.00 O ATOM 0 H GLU A 7 -9.227 0.619 8.597 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.499 0.553 10.843 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.238 -1.530 9.477 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.365 -1.842 10.964 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.631 -0.096 12.128 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.431 0.365 10.639 1.00 0.00 H new ATOM 104 N CYS A 8 -6.580 -1.155 8.188 1.00 0.00 N ATOM 105 CA CYS A 8 -5.440 -1.810 7.557 1.00 0.00 C ATOM 106 C CYS A 8 -4.220 -0.898 7.541 1.00 0.00 C ATOM 107 O CYS A 8 -3.097 -1.344 7.772 1.00 0.00 O ATOM 108 CB CYS A 8 -5.941 -2.065 6.135 1.00 0.00 C ATOM 109 SG CYS A 8 -7.174 -3.382 5.999 1.00 0.00 S ATOM 0 H CYS A 8 -7.392 -1.045 7.581 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.124 -2.714 8.078 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.369 -1.142 5.743 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.089 -2.315 5.503 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.333 -2.932 6.377 1.00 0.00 H new ATOM 115 N PHE A 9 -4.449 0.382 7.267 1.00 0.00 N ATOM 116 CA PHE A 9 -3.380 1.374 7.295 1.00 0.00 C ATOM 117 C PHE A 9 -2.636 1.343 8.624 1.00 0.00 C ATOM 118 O PHE A 9 -1.406 1.340 8.657 1.00 0.00 O ATOM 119 CB PHE A 9 -3.945 2.773 7.040 1.00 0.00 C ATOM 120 CG PHE A 9 -2.908 3.861 7.079 1.00 0.00 C ATOM 121 CD1 PHE A 9 -2.078 4.088 5.992 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.761 4.657 8.205 1.00 0.00 C ATOM 123 CE1 PHE A 9 -1.125 5.088 6.027 1.00 0.00 C ATOM 124 CE2 PHE A 9 -1.809 5.658 8.243 1.00 0.00 C ATOM 125 CZ PHE A 9 -0.990 5.872 7.152 1.00 0.00 C ATOM 0 H PHE A 9 -5.366 0.757 7.023 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.672 1.127 6.503 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.435 2.785 6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.711 2.987 7.785 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.177 3.476 5.108 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.398 4.493 9.062 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.486 5.255 5.173 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.706 6.272 9.125 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.245 6.653 7.180 1.00 0.00 H new ATOM 135 N ARG A 10 -3.390 1.321 9.718 1.00 0.00 N ATOM 136 CA ARG A 10 -2.803 1.271 11.051 1.00 0.00 C ATOM 137 C ARG A 10 -2.063 -0.041 11.278 1.00 0.00 C ATOM 138 O ARG A 10 -1.043 -0.080 11.967 1.00 0.00 O ATOM 139 CB ARG A 10 -3.833 1.524 12.142 1.00 0.00 C ATOM 140 CG ARG A 10 -4.343 2.955 12.220 1.00 0.00 C ATOM 141 CD ARG A 10 -5.391 3.176 13.250 1.00 0.00 C ATOM 142 NE ARG A 10 -5.871 4.546 13.337 1.00 0.00 N ATOM 143 CZ ARG A 10 -6.873 4.956 14.139 1.00 0.00 C ATOM 144 NH1 ARG A 10 -7.527 4.104 14.896 1.00 0.00 N ATOM 145 NH2 ARG A 10 -7.196 6.237 14.127 1.00 0.00 N ATOM 0 H ARG A 10 -4.410 1.337 9.707 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.075 2.080 11.111 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.682 0.859 11.982 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.396 1.256 13.104 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.502 3.617 12.426 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.741 3.240 11.246 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.236 2.521 13.037 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.996 2.880 14.222 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.417 5.246 12.750 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.279 3.115 14.882 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.283 4.432 15.497 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.691 6.885 13.522 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.950 6.578 14.723 1.00 0.00 H new ATOM 159 N ILE A 11 -2.581 -1.115 10.694 1.00 0.00 N ATOM 160 CA ILE A 11 -1.975 -2.434 10.837 1.00 0.00 C ATOM 161 C ILE A 11 -0.637 -2.506 10.112 1.00 0.00 C ATOM 162 O ILE A 11 0.355 -2.980 10.666 1.00 0.00 O ATOM 163 CB ILE A 11 -2.899 -3.543 10.301 1.00 0.00 C ATOM 164 CG1 ILE A 11 -4.137 -3.682 11.191 1.00 0.00 C ATOM 165 CG2 ILE A 11 -2.151 -4.864 10.215 1.00 0.00 C ATOM 166 CD1 ILE A 11 -5.230 -4.536 10.589 1.00 0.00 C ATOM 0 H ILE A 11 -3.421 -1.098 10.116 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.816 -2.592 11.904 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.225 -3.268 9.298 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.839 -4.111 12.147 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.537 -2.689 11.398 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.819 -5.636 9.834 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.300 -4.757 9.543 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.797 -5.147 11.206 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.073 -4.587 11.278 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.558 -4.097 9.647 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.848 -5.541 10.408 1.00 0.00 H new ATOM 178 N PHE A 12 -0.616 -2.034 8.870 1.00 0.00 N ATOM 179 CA PHE A 12 0.544 -2.206 8.005 1.00 0.00 C ATOM 180 C PHE A 12 1.635 -1.198 8.340 1.00 0.00 C ATOM 181 O PHE A 12 2.824 -1.481 8.189 1.00 0.00 O ATOM 182 CB PHE A 12 0.139 -2.073 6.535 1.00 0.00 C ATOM 183 CG PHE A 12 -0.674 -3.228 6.024 1.00 0.00 C ATOM 184 CD1 PHE A 12 -0.131 -4.503 5.961 1.00 0.00 C ATOM 185 CD2 PHE A 12 -1.984 -3.044 5.606 1.00 0.00 C ATOM 186 CE1 PHE A 12 -0.876 -5.567 5.489 1.00 0.00 C ATOM 187 CE2 PHE A 12 -2.732 -4.106 5.136 1.00 0.00 C ATOM 188 CZ PHE A 12 -2.179 -5.367 5.077 1.00 0.00 C ATOM 0 H PHE A 12 -1.391 -1.529 8.440 1.00 0.00 H new ATOM 0 HA PHE A 12 0.941 -3.207 8.174 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.432 -1.154 6.407 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.039 -1.977 5.927 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.886 -4.666 6.285 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.424 -2.059 5.649 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.440 -6.554 5.442 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.751 -3.948 4.815 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.764 -6.197 4.709 1.00 0.00 H new ATOM 198 N ASP A 13 1.225 -0.020 8.797 1.00 0.00 N ATOM 199 CA ASP A 13 2.169 1.006 9.228 1.00 0.00 C ATOM 200 C ASP A 13 2.623 0.768 10.663 1.00 0.00 C ATOM 201 O ASP A 13 2.179 1.452 11.586 1.00 0.00 O ATOM 202 CB ASP A 13 1.544 2.398 9.098 1.00 0.00 C ATOM 203 CG ASP A 13 2.506 3.546 9.372 1.00 0.00 C ATOM 204 OD1 ASP A 13 3.668 3.286 9.578 1.00 0.00 O ATOM 205 OD2 ASP A 13 2.109 4.675 9.218 1.00 0.00 O ATOM 0 H ASP A 13 0.244 0.249 8.879 1.00 0.00 H new ATOM 0 HA ASP A 13 3.043 0.949 8.580 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.141 2.510 8.091 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.703 2.472 9.788 1.00 0.00 H new ATOM 210 N LYS A 14 3.508 -0.205 10.844 1.00 0.00 N ATOM 211 CA LYS A 14 4.001 -0.555 12.171 1.00 0.00 C ATOM 212 C LYS A 14 4.856 0.562 12.754 1.00 0.00 C ATOM 213 O LYS A 14 4.807 0.833 13.953 1.00 0.00 O ATOM 214 CB LYS A 14 4.802 -1.858 12.119 1.00 0.00 C ATOM 215 CG LYS A 14 3.967 -3.098 11.833 1.00 0.00 C ATOM 216 CD LYS A 14 4.834 -4.348 11.780 1.00 0.00 C ATOM 217 CE LYS A 14 4.009 -5.581 11.440 1.00 0.00 C ATOM 218 NZ LYS A 14 4.850 -6.804 11.343 1.00 0.00 N ATOM 0 H LYS A 14 3.899 -0.766 10.088 1.00 0.00 H new ATOM 0 HA LYS A 14 3.137 -0.696 12.820 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.571 -1.767 11.351 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.316 -1.993 13.071 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.206 -3.213 12.605 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.443 -2.976 10.885 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.619 -4.217 11.035 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.327 -4.492 12.741 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.244 -5.727 12.202 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.491 -5.421 10.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.250 -7.621 11.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.564 -6.676 10.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.325 -6.972 12.253 1.00 0.00 H new ATOM 232 N ASP A 15 5.640 1.209 11.897 1.00 0.00 N ATOM 233 CA ASP A 15 6.517 2.291 12.329 1.00 0.00 C ATOM 234 C ASP A 15 5.715 3.504 12.783 1.00 0.00 C ATOM 235 O ASP A 15 6.100 4.198 13.722 1.00 0.00 O ATOM 236 CB ASP A 15 7.474 2.686 11.201 1.00 0.00 C ATOM 237 CG ASP A 15 8.586 1.678 10.937 1.00 0.00 C ATOM 238 OD1 ASP A 15 8.773 0.804 11.750 1.00 0.00 O ATOM 239 OD2 ASP A 15 9.132 1.695 9.860 1.00 0.00 O ATOM 0 H ASP A 15 5.686 1.002 10.899 1.00 0.00 H new ATOM 0 HA ASP A 15 7.098 1.930 13.178 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.899 2.823 10.285 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.923 3.649 11.443 1.00 0.00 H new ATOM 244 N GLY A 16 4.598 3.753 12.109 1.00 0.00 N ATOM 245 CA GLY A 16 3.767 4.914 12.405 1.00 0.00 C ATOM 246 C GLY A 16 4.254 6.146 11.654 1.00 0.00 C ATOM 247 O GLY A 16 4.124 7.271 12.136 1.00 0.00 O ATOM 0 H GLY A 16 4.247 3.166 11.353 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.733 4.704 12.132 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.780 5.110 13.477 1.00 0.00 H new ATOM 251 N ASN A 17 4.817 5.928 10.470 1.00 0.00 N ATOM 252 CA ASN A 17 5.416 7.007 9.695 1.00 0.00 C ATOM 253 C ASN A 17 4.349 7.864 9.026 1.00 0.00 C ATOM 254 O ASN A 17 4.549 9.057 8.799 1.00 0.00 O ATOM 255 CB ASN A 17 6.388 6.473 8.659 1.00 0.00 C ATOM 256 CG ASN A 17 7.664 5.938 9.244 1.00 0.00 C ATOM 257 OD1 ASN A 17 8.054 6.291 10.363 1.00 0.00 O ATOM 258 ND2 ASN A 17 8.359 5.152 8.462 1.00 0.00 N ATOM 0 H ASN A 17 4.871 5.011 10.026 1.00 0.00 H new ATOM 0 HA ASN A 17 5.973 7.633 10.392 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.900 5.681 8.090 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.628 7.270 7.955 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.267 4.802 8.768 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.993 4.890 7.547 1.00 0.00 H new ATOM 265 N GLY A 18 3.215 7.247 8.710 1.00 0.00 N ATOM 266 CA GLY A 18 2.131 7.940 8.026 1.00 0.00 C ATOM 267 C GLY A 18 2.214 7.739 6.519 1.00 0.00 C ATOM 268 O GLY A 18 1.324 8.155 5.777 1.00 0.00 O ATOM 0 H GLY A 18 3.023 6.267 8.917 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.172 7.573 8.392 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.174 9.004 8.257 1.00 0.00 H new ATOM 272 N PHE A 19 3.289 7.100 6.070 1.00 0.00 N ATOM 273 CA PHE A 19 3.506 6.870 4.646 1.00 0.00 C ATOM 274 C PHE A 19 3.932 5.432 4.380 1.00 0.00 C ATOM 275 O PHE A 19 4.674 4.838 5.163 1.00 0.00 O ATOM 276 CB PHE A 19 4.556 7.839 4.103 1.00 0.00 C ATOM 277 CG PHE A 19 4.135 9.281 4.156 1.00 0.00 C ATOM 278 CD1 PHE A 19 3.379 9.836 3.135 1.00 0.00 C ATOM 279 CD2 PHE A 19 4.495 10.083 5.228 1.00 0.00 C ATOM 280 CE1 PHE A 19 2.992 11.161 3.181 1.00 0.00 C ATOM 281 CE2 PHE A 19 4.109 11.410 5.277 1.00 0.00 C ATOM 282 CZ PHE A 19 3.358 11.949 4.255 1.00 0.00 C ATOM 0 H PHE A 19 4.025 6.732 6.673 1.00 0.00 H new ATOM 0 HA PHE A 19 2.562 7.046 4.131 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.478 7.718 4.672 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.782 7.574 3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.089 9.225 2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.083 9.667 6.033 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.404 11.581 2.378 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.396 12.025 6.117 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.056 12.985 4.294 1.00 0.00 H new ATOM 292 N ILE A 20 3.458 4.876 3.270 1.00 0.00 N ATOM 293 CA ILE A 20 3.952 3.592 2.785 1.00 0.00 C ATOM 294 C ILE A 20 4.918 3.779 1.623 1.00 0.00 C ATOM 295 O ILE A 20 4.536 4.262 0.556 1.00 0.00 O ATOM 296 CB ILE A 20 2.799 2.675 2.340 1.00 0.00 C ATOM 297 CG1 ILE A 20 1.820 2.448 3.496 1.00 0.00 C ATOM 298 CG2 ILE A 20 3.340 1.349 1.828 1.00 0.00 C ATOM 299 CD1 ILE A 20 2.451 1.813 4.714 1.00 0.00 C ATOM 0 H ILE A 20 2.732 5.295 2.689 1.00 0.00 H new ATOM 0 HA ILE A 20 4.476 3.121 3.617 1.00 0.00 H new ATOM 0 HB ILE A 20 2.263 3.163 1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.382 3.404 3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.004 1.815 3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.511 0.713 1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.998 1.528 0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.900 0.854 2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.696 1.684 5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.864 0.841 4.445 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.249 2.455 5.087 1.00 0.00 H new ATOM 311 N ASP A 21 6.172 3.393 1.834 1.00 0.00 N ATOM 312 CA ASP A 21 7.165 3.397 0.767 1.00 0.00 C ATOM 313 C ASP A 21 7.274 2.026 0.110 1.00 0.00 C ATOM 314 O ASP A 21 6.482 1.128 0.393 1.00 0.00 O ATOM 315 CB ASP A 21 8.531 3.830 1.306 1.00 0.00 C ATOM 316 CG ASP A 21 9.133 2.877 2.331 1.00 0.00 C ATOM 317 OD1 ASP A 21 8.608 1.801 2.494 1.00 0.00 O ATOM 318 OD2 ASP A 21 10.195 3.166 2.828 1.00 0.00 O ATOM 0 H ASP A 21 6.525 3.073 2.736 1.00 0.00 H new ATOM 0 HA ASP A 21 6.839 4.113 0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.223 3.930 0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.433 4.817 1.758 1.00 0.00 H new ATOM 323 N ARG A 22 8.258 1.873 -0.769 1.00 0.00 N ATOM 324 CA ARG A 22 8.422 0.639 -1.528 1.00 0.00 C ATOM 325 C ARG A 22 8.754 -0.531 -0.612 1.00 0.00 C ATOM 326 O ARG A 22 8.335 -1.662 -0.857 1.00 0.00 O ATOM 327 CB ARG A 22 9.449 0.783 -2.642 1.00 0.00 C ATOM 328 CG ARG A 22 8.995 1.621 -3.826 1.00 0.00 C ATOM 329 CD ARG A 22 10.023 1.794 -4.885 1.00 0.00 C ATOM 330 NE ARG A 22 10.398 0.566 -5.568 1.00 0.00 N ATOM 331 CZ ARG A 22 9.745 0.050 -6.627 1.00 0.00 C ATOM 332 NH1 ARG A 22 8.666 0.630 -7.106 1.00 0.00 N ATOM 333 NH2 ARG A 22 10.205 -1.068 -7.160 1.00 0.00 N ATOM 0 H ARG A 22 8.955 2.589 -0.974 1.00 0.00 H new ATOM 0 HA ARG A 22 7.466 0.428 -2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.354 1.227 -2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.717 -0.211 -3.000 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.112 1.158 -4.266 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.693 2.604 -3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.651 2.506 -5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.915 2.234 -4.439 1.00 0.00 H new ATOM 0 HE ARG A 22 11.213 0.060 -5.221 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.312 1.484 -6.675 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.183 0.226 -7.909 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.033 -1.516 -6.769 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.732 -1.483 -7.963 1.00 0.00 H new ATOM 347 N GLU A 23 9.510 -0.253 0.445 1.00 0.00 N ATOM 348 CA GLU A 23 9.936 -1.291 1.376 1.00 0.00 C ATOM 349 C GLU A 23 8.754 -1.854 2.154 1.00 0.00 C ATOM 350 O GLU A 23 8.624 -3.067 2.313 1.00 0.00 O ATOM 351 CB GLU A 23 10.989 -0.742 2.343 1.00 0.00 C ATOM 352 CG GLU A 23 12.334 -0.436 1.701 1.00 0.00 C ATOM 353 CD GLU A 23 13.263 0.238 2.672 1.00 0.00 C ATOM 354 OE1 GLU A 23 12.842 0.523 3.766 1.00 0.00 O ATOM 355 OE2 GLU A 23 14.424 0.367 2.361 1.00 0.00 O ATOM 0 H GLU A 23 9.840 0.683 0.678 1.00 0.00 H new ATOM 0 HA GLU A 23 10.376 -2.101 0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.604 0.169 2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.139 -1.464 3.145 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.787 -1.361 1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.187 0.204 0.831 1.00 0.00 H new ATOM 362 N GLU A 24 7.893 -0.965 2.638 1.00 0.00 N ATOM 363 CA GLU A 24 6.685 -1.373 3.345 1.00 0.00 C ATOM 364 C GLU A 24 5.650 -1.942 2.383 1.00 0.00 C ATOM 365 O GLU A 24 4.917 -2.871 2.723 1.00 0.00 O ATOM 366 CB GLU A 24 6.093 -0.194 4.119 1.00 0.00 C ATOM 367 CG GLU A 24 6.960 0.307 5.264 1.00 0.00 C ATOM 368 CD GLU A 24 7.238 -0.787 6.257 1.00 0.00 C ATOM 369 OE1 GLU A 24 6.305 -1.408 6.706 1.00 0.00 O ATOM 370 OE2 GLU A 24 8.389 -1.078 6.484 1.00 0.00 O ATOM 0 H GLU A 24 8.010 0.045 2.553 1.00 0.00 H new ATOM 0 HA GLU A 24 6.960 -2.156 4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.918 0.629 3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.122 -0.488 4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.901 0.691 4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.462 1.137 5.764 1.00 0.00 H new ATOM 377 N PHE A 25 5.594 -1.378 1.181 1.00 0.00 N ATOM 378 CA PHE A 25 4.646 -1.826 0.168 1.00 0.00 C ATOM 379 C PHE A 25 4.885 -3.284 -0.204 1.00 0.00 C ATOM 380 O PHE A 25 3.942 -4.065 -0.331 1.00 0.00 O ATOM 381 CB PHE A 25 4.738 -0.944 -1.078 1.00 0.00 C ATOM 382 CG PHE A 25 3.878 -1.412 -2.217 1.00 0.00 C ATOM 383 CD1 PHE A 25 2.496 -1.337 -2.138 1.00 0.00 C ATOM 384 CD2 PHE A 25 4.450 -1.929 -3.370 1.00 0.00 C ATOM 385 CE1 PHE A 25 1.704 -1.768 -3.186 1.00 0.00 C ATOM 386 CE2 PHE A 25 3.661 -2.359 -4.420 1.00 0.00 C ATOM 387 CZ PHE A 25 2.287 -2.278 -4.326 1.00 0.00 C ATOM 0 H PHE A 25 6.195 -0.609 0.885 1.00 0.00 H new ATOM 0 HA PHE A 25 3.644 -1.742 0.589 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.452 0.074 -0.813 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.776 -0.907 -1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.033 -0.937 -1.248 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.525 -1.996 -3.448 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.628 -1.705 -3.111 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.119 -2.758 -5.313 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.669 -2.614 -5.145 1.00 0.00 H new ATOM 397 N GLY A 26 6.152 -3.645 -0.378 1.00 0.00 N ATOM 398 CA GLY A 26 6.522 -5.022 -0.683 1.00 0.00 C ATOM 399 C GLY A 26 6.079 -5.969 0.424 1.00 0.00 C ATOM 400 O GLY A 26 5.608 -7.074 0.158 1.00 0.00 O ATOM 0 H GLY A 26 6.941 -3.002 -0.313 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.067 -5.323 -1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.602 -5.091 -0.814 1.00 0.00 H new ATOM 404 N ASP A 27 6.235 -5.530 1.669 1.00 0.00 N ATOM 405 CA ASP A 27 5.818 -6.324 2.819 1.00 0.00 C ATOM 406 C ASP A 27 4.304 -6.490 2.855 1.00 0.00 C ATOM 407 O ASP A 27 3.795 -7.562 3.179 1.00 0.00 O ATOM 408 CB ASP A 27 6.308 -5.682 4.120 1.00 0.00 C ATOM 409 CG ASP A 27 7.803 -5.825 4.367 1.00 0.00 C ATOM 410 OD1 ASP A 27 8.427 -6.603 3.686 1.00 0.00 O ATOM 411 OD2 ASP A 27 8.336 -5.048 5.123 1.00 0.00 O ATOM 0 H ASP A 27 6.647 -4.628 1.907 1.00 0.00 H new ATOM 0 HA ASP A 27 6.267 -7.313 2.721 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.054 -4.622 4.106 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.770 -6.128 4.956 1.00 0.00 H new ATOM 416 N ILE A 28 3.589 -5.421 2.520 1.00 0.00 N ATOM 417 CA ILE A 28 2.133 -5.459 2.470 1.00 0.00 C ATOM 418 C ILE A 28 1.642 -6.512 1.485 1.00 0.00 C ATOM 419 O ILE A 28 0.667 -7.217 1.750 1.00 0.00 O ATOM 420 CB ILE A 28 1.544 -4.090 2.080 1.00 0.00 C ATOM 421 CG1 ILE A 28 1.783 -3.069 3.195 1.00 0.00 C ATOM 422 CG2 ILE A 28 0.059 -4.217 1.777 1.00 0.00 C ATOM 423 CD1 ILE A 28 1.507 -1.641 2.785 1.00 0.00 C ATOM 0 H ILE A 28 3.995 -4.517 2.279 1.00 0.00 H new ATOM 0 HA ILE A 28 1.792 -5.718 3.472 1.00 0.00 H new ATOM 0 HB ILE A 28 2.048 -3.739 1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.151 -3.321 4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.817 -3.147 3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.341 -3.241 1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.086 -4.913 0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.462 -4.588 2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.699 -0.977 3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.157 -1.369 1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.466 -1.546 2.478 1.00 0.00 H new ATOM 435 N ILE A 29 2.321 -6.614 0.349 1.00 0.00 N ATOM 436 CA ILE A 29 1.979 -7.607 -0.662 1.00 0.00 C ATOM 437 C ILE A 29 2.043 -9.018 -0.092 1.00 0.00 C ATOM 438 O ILE A 29 1.151 -9.834 -0.328 1.00 0.00 O ATOM 439 CB ILE A 29 2.912 -7.516 -1.884 1.00 0.00 C ATOM 440 CG1 ILE A 29 2.694 -6.193 -2.623 1.00 0.00 C ATOM 441 CG2 ILE A 29 2.685 -8.695 -2.817 1.00 0.00 C ATOM 442 CD1 ILE A 29 3.784 -5.863 -3.619 1.00 0.00 C ATOM 0 H ILE A 29 3.113 -6.020 0.104 1.00 0.00 H new ATOM 0 HA ILE A 29 0.959 -7.392 -0.979 1.00 0.00 H new ATOM 0 HB ILE A 29 3.944 -7.550 -1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.738 -6.232 -3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.626 -5.387 -1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.353 -8.614 -3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.889 -9.624 -2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.651 -8.693 -3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.560 -4.912 -4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.740 -5.790 -3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.838 -6.649 -4.372 1.00 0.00 H new ATOM 454 N ARG A 30 3.101 -9.300 0.661 1.00 0.00 N ATOM 455 CA ARG A 30 3.307 -10.627 1.227 1.00 0.00 C ATOM 456 C ARG A 30 2.334 -10.897 2.368 1.00 0.00 C ATOM 457 O ARG A 30 1.944 -12.039 2.607 1.00 0.00 O ATOM 458 CB ARG A 30 4.749 -10.850 1.659 1.00 0.00 C ATOM 459 CG ARG A 30 5.747 -10.970 0.519 1.00 0.00 C ATOM 460 CD ARG A 30 7.156 -11.143 0.955 1.00 0.00 C ATOM 461 NE ARG A 30 8.111 -11.283 -0.132 1.00 0.00 N ATOM 462 CZ ARG A 30 9.448 -11.334 0.025 1.00 0.00 C ATOM 463 NH1 ARG A 30 9.995 -11.219 1.214 1.00 0.00 N ATOM 464 NH2 ARG A 30 10.199 -11.479 -1.054 1.00 0.00 N ATOM 0 H ARG A 30 3.830 -8.626 0.893 1.00 0.00 H new ATOM 0 HA ARG A 30 3.101 -11.348 0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.052 -10.024 2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.796 -11.757 2.261 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.466 -11.817 -0.106 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.679 -10.078 -0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.442 -10.286 1.565 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.220 -12.024 1.593 1.00 0.00 H new ATOM 0 HE ARG A 30 7.743 -11.347 -1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.405 -11.089 2.036 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.009 -11.260 1.315 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.763 -11.549 -1.973 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.214 -11.521 -0.967 1.00 0.00 H new ATOM 478 N LEU A 31 1.947 -9.838 3.071 1.00 0.00 N ATOM 479 CA LEU A 31 0.993 -9.954 4.167 1.00 0.00 C ATOM 480 C LEU A 31 -0.420 -10.181 3.646 1.00 0.00 C ATOM 481 O LEU A 31 -1.231 -10.845 4.293 1.00 0.00 O ATOM 482 CB LEU A 31 1.042 -8.698 5.047 1.00 0.00 C ATOM 483 CG LEU A 31 2.332 -8.519 5.857 1.00 0.00 C ATOM 484 CD1 LEU A 31 2.345 -7.149 6.523 1.00 0.00 C ATOM 485 CD2 LEU A 31 2.437 -9.625 6.897 1.00 0.00 C ATOM 0 H LEU A 31 2.280 -8.889 2.901 1.00 0.00 H new ATOM 0 HA LEU A 31 1.272 -10.819 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.906 -7.823 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.199 -8.724 5.737 1.00 0.00 H new ATOM 0 HG LEU A 31 3.192 -8.582 5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.265 -7.032 7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.291 -6.373 5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.488 -7.061 7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.354 -9.497 7.472 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.579 -9.577 7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.454 -10.594 6.398 1.00 0.00 H new ATOM 497 N THR A 32 -0.710 -9.625 2.475 1.00 0.00 N ATOM 498 CA THR A 32 -1.996 -9.841 1.822 1.00 0.00 C ATOM 499 C THR A 32 -1.980 -11.110 0.980 1.00 0.00 C ATOM 500 O THR A 32 -3.032 -11.636 0.615 1.00 0.00 O ATOM 501 CB THR A 32 -2.382 -8.648 0.927 1.00 0.00 C ATOM 502 OG1 THR A 32 -1.364 -8.440 -0.060 1.00 0.00 O ATOM 503 CG2 THR A 32 -2.542 -7.386 1.761 1.00 0.00 C ATOM 0 H THR A 32 -0.071 -9.021 1.958 1.00 0.00 H new ATOM 0 HA THR A 32 -2.737 -9.944 2.614 1.00 0.00 H new ATOM 0 HB THR A 32 -3.331 -8.870 0.439 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.651 -9.102 0.061 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.815 -6.553 1.112 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.324 -7.538 2.505 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.602 -7.161 2.264 1.00 0.00 H new ATOM 511 N GLY A 33 -0.783 -11.597 0.676 1.00 0.00 N ATOM 512 CA GLY A 33 -0.627 -12.875 -0.008 1.00 0.00 C ATOM 513 C GLY A 33 -0.958 -12.751 -1.491 1.00 0.00 C ATOM 514 O GLY A 33 -1.502 -13.675 -2.094 1.00 0.00 O ATOM 0 H GLY A 33 0.095 -11.125 0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.396 -13.231 0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.278 -13.618 0.452 1.00 0.00 H new ATOM 518 N GLU A 34 -0.628 -11.601 -2.071 1.00 0.00 N ATOM 519 CA GLU A 34 -0.908 -11.347 -3.479 1.00 0.00 C ATOM 520 C GLU A 34 0.280 -11.724 -4.354 1.00 0.00 C ATOM 521 O GLU A 34 1.434 -11.558 -3.957 1.00 0.00 O ATOM 522 CB GLU A 34 -1.273 -9.876 -3.694 1.00 0.00 C ATOM 523 CG GLU A 34 -2.622 -9.473 -3.116 1.00 0.00 C ATOM 524 CD GLU A 34 -3.732 -10.315 -3.680 1.00 0.00 C ATOM 525 OE1 GLU A 34 -3.834 -10.404 -4.880 1.00 0.00 O ATOM 526 OE2 GLU A 34 -4.410 -10.959 -2.914 1.00 0.00 O ATOM 0 H GLU A 34 -0.166 -10.831 -1.587 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.755 -11.969 -3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.499 -9.253 -3.247 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.272 -9.666 -4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.600 -9.576 -2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.814 -8.422 -3.333 1.00 0.00 H new ATOM 533 N GLN A 35 -0.008 -12.232 -5.547 1.00 0.00 N ATOM 534 CA GLN A 35 1.037 -12.640 -6.479 1.00 0.00 C ATOM 535 C GLN A 35 1.274 -11.577 -7.542 1.00 0.00 C ATOM 536 O GLN A 35 0.525 -11.478 -8.514 1.00 0.00 O ATOM 537 CB GLN A 35 0.669 -13.968 -7.149 1.00 0.00 C ATOM 538 CG GLN A 35 0.535 -15.135 -6.186 1.00 0.00 C ATOM 539 CD GLN A 35 1.841 -15.459 -5.485 1.00 0.00 C ATOM 540 OE1 GLN A 35 2.881 -15.631 -6.128 1.00 0.00 O ATOM 541 NE2 GLN A 35 1.795 -15.550 -4.161 1.00 0.00 N ATOM 0 H GLN A 35 -0.958 -12.371 -5.892 1.00 0.00 H new ATOM 0 HA GLN A 35 1.957 -12.768 -5.909 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.272 -13.843 -7.684 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.429 -14.210 -7.892 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.226 -14.902 -5.441 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.190 -16.014 -6.730 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.914 -15.400 -3.670 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.641 -15.770 -3.635 1.00 0.00 H new ATOM 550 N LEU A 36 2.320 -10.780 -7.352 1.00 0.00 N ATOM 551 CA LEU A 36 2.615 -9.674 -8.255 1.00 0.00 C ATOM 552 C LEU A 36 4.007 -9.812 -8.859 1.00 0.00 C ATOM 553 O LEU A 36 4.933 -10.290 -8.203 1.00 0.00 O ATOM 554 CB LEU A 36 2.484 -8.336 -7.517 1.00 0.00 C ATOM 555 CG LEU A 36 1.105 -8.060 -6.905 1.00 0.00 C ATOM 556 CD1 LEU A 36 1.158 -6.809 -6.039 1.00 0.00 C ATOM 557 CD2 LEU A 36 0.077 -7.904 -8.017 1.00 0.00 C ATOM 0 H LEU A 36 2.978 -10.880 -6.579 1.00 0.00 H new ATOM 0 HA LEU A 36 1.891 -9.701 -9.069 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.230 -8.303 -6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.723 -7.531 -8.212 1.00 0.00 H new ATOM 0 HG LEU A 36 0.813 -8.899 -6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.174 -6.622 -5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.883 -6.952 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.455 -5.956 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.903 -7.708 -7.582 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.361 -7.072 -8.661 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.036 -8.821 -8.606 1.00 0.00 H new ATOM 569 N THR A 37 4.149 -9.392 -10.111 1.00 0.00 N ATOM 570 CA THR A 37 5.450 -9.363 -10.768 1.00 0.00 C ATOM 571 C THR A 37 6.202 -8.078 -10.446 1.00 0.00 C ATOM 572 O THR A 37 5.661 -7.174 -9.808 1.00 0.00 O ATOM 573 CB THR A 37 5.315 -9.498 -12.295 1.00 0.00 C ATOM 574 OG1 THR A 37 4.676 -8.330 -12.827 1.00 0.00 O ATOM 575 CG2 THR A 37 4.493 -10.728 -12.653 1.00 0.00 C ATOM 0 H THR A 37 3.377 -9.066 -10.692 1.00 0.00 H new ATOM 0 HA THR A 37 6.013 -10.215 -10.386 1.00 0.00 H new ATOM 0 HB THR A 37 6.312 -9.603 -12.723 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.592 -8.417 -13.800 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.409 -10.806 -13.737 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.983 -11.620 -12.262 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.498 -10.640 -12.217 1.00 0.00 H new ATOM 583 N ASP A 38 7.451 -8.002 -10.890 1.00 0.00 N ATOM 584 CA ASP A 38 8.267 -6.811 -10.685 1.00 0.00 C ATOM 585 C ASP A 38 7.639 -5.593 -11.351 1.00 0.00 C ATOM 586 O ASP A 38 7.818 -4.464 -10.893 1.00 0.00 O ATOM 587 CB ASP A 38 9.684 -7.032 -11.220 1.00 0.00 C ATOM 588 CG ASP A 38 10.539 -7.962 -10.371 1.00 0.00 C ATOM 589 OD1 ASP A 38 10.146 -8.256 -9.267 1.00 0.00 O ATOM 590 OD2 ASP A 38 11.495 -8.491 -10.885 1.00 0.00 O ATOM 0 H ASP A 38 7.922 -8.753 -11.395 1.00 0.00 H new ATOM 0 HA ASP A 38 8.320 -6.624 -9.612 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.619 -7.439 -12.229 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.185 -6.067 -11.297 1.00 0.00 H new ATOM 595 N GLU A 39 6.905 -5.829 -12.433 1.00 0.00 N ATOM 596 CA GLU A 39 6.204 -4.758 -13.130 1.00 0.00 C ATOM 597 C GLU A 39 4.888 -4.420 -12.441 1.00 0.00 C ATOM 598 O GLU A 39 4.510 -3.252 -12.339 1.00 0.00 O ATOM 599 CB GLU A 39 5.948 -5.145 -14.588 1.00 0.00 C ATOM 600 CG GLU A 39 7.207 -5.268 -15.436 1.00 0.00 C ATOM 601 CD GLU A 39 6.883 -5.723 -16.832 1.00 0.00 C ATOM 602 OE1 GLU A 39 5.735 -5.982 -17.101 1.00 0.00 O ATOM 603 OE2 GLU A 39 7.763 -5.705 -17.660 1.00 0.00 O ATOM 0 H GLU A 39 6.780 -6.753 -12.846 1.00 0.00 H new ATOM 0 HA GLU A 39 6.840 -3.873 -13.104 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.415 -6.095 -14.611 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.292 -4.401 -15.039 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.718 -4.306 -15.474 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.894 -5.975 -14.971 1.00 0.00 H new ATOM 610 N ASP A 40 4.193 -5.449 -11.967 1.00 0.00 N ATOM 611 CA ASP A 40 2.906 -5.266 -11.307 1.00 0.00 C ATOM 612 C ASP A 40 3.034 -4.348 -10.097 1.00 0.00 C ATOM 613 O ASP A 40 2.214 -3.452 -9.897 1.00 0.00 O ATOM 614 CB ASP A 40 2.323 -6.615 -10.883 1.00 0.00 C ATOM 615 CG ASP A 40 1.846 -7.485 -12.038 1.00 0.00 C ATOM 616 OD1 ASP A 40 1.680 -6.968 -13.117 1.00 0.00 O ATOM 617 OD2 ASP A 40 1.802 -8.681 -11.877 1.00 0.00 O ATOM 0 H ASP A 40 4.500 -6.420 -12.028 1.00 0.00 H new ATOM 0 HA ASP A 40 2.229 -4.798 -12.022 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.078 -7.163 -10.320 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.486 -6.439 -10.207 1.00 0.00 H new ATOM 622 N VAL A 41 4.067 -4.578 -9.293 1.00 0.00 N ATOM 623 CA VAL A 41 4.244 -3.843 -8.047 1.00 0.00 C ATOM 624 C VAL A 41 4.640 -2.396 -8.312 1.00 0.00 C ATOM 625 O VAL A 41 4.387 -1.514 -7.491 1.00 0.00 O ATOM 626 CB VAL A 41 5.312 -4.500 -7.151 1.00 0.00 C ATOM 627 CG1 VAL A 41 4.935 -5.943 -6.846 1.00 0.00 C ATOM 628 CG2 VAL A 41 6.678 -4.437 -7.816 1.00 0.00 C ATOM 0 H VAL A 41 4.794 -5.268 -9.483 1.00 0.00 H new ATOM 0 HA VAL A 41 3.284 -3.865 -7.531 1.00 0.00 H new ATOM 0 HB VAL A 41 5.361 -3.949 -6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.699 -6.393 -6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.975 -5.967 -6.330 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.860 -6.504 -7.777 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.420 -4.906 -7.169 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.643 -4.964 -8.769 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.952 -3.396 -7.987 1.00 0.00 H new ATOM 638 N ASP A 42 5.261 -2.158 -9.461 1.00 0.00 N ATOM 639 CA ASP A 42 5.635 -0.809 -9.866 1.00 0.00 C ATOM 640 C ASP A 42 4.434 -0.040 -10.398 1.00 0.00 C ATOM 641 O ASP A 42 4.320 1.170 -10.200 1.00 0.00 O ATOM 642 CB ASP A 42 6.742 -0.853 -10.923 1.00 0.00 C ATOM 643 CG ASP A 42 8.114 -1.233 -10.382 1.00 0.00 C ATOM 644 OD1 ASP A 42 8.281 -1.232 -9.185 1.00 0.00 O ATOM 645 OD2 ASP A 42 8.933 -1.672 -11.154 1.00 0.00 O ATOM 0 H ASP A 42 5.517 -2.884 -10.130 1.00 0.00 H new ATOM 0 HA ASP A 42 6.009 -0.289 -8.984 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.460 -1.566 -11.697 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.811 0.125 -11.400 1.00 0.00 H new ATOM 650 N GLU A 43 3.538 -0.749 -11.077 1.00 0.00 N ATOM 651 CA GLU A 43 2.315 -0.145 -11.593 1.00 0.00 C ATOM 652 C GLU A 43 1.371 0.242 -10.463 1.00 0.00 C ATOM 653 O GLU A 43 0.795 1.331 -10.467 1.00 0.00 O ATOM 654 CB GLU A 43 1.613 -1.101 -12.560 1.00 0.00 C ATOM 655 CG GLU A 43 2.306 -1.254 -13.907 1.00 0.00 C ATOM 656 CD GLU A 43 1.622 -2.285 -14.760 1.00 0.00 C ATOM 657 OE1 GLU A 43 0.701 -2.905 -14.284 1.00 0.00 O ATOM 658 OE2 GLU A 43 1.944 -2.377 -15.921 1.00 0.00 O ATOM 0 H GLU A 43 3.636 -1.743 -11.283 1.00 0.00 H new ATOM 0 HA GLU A 43 2.593 0.762 -12.130 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.537 -2.082 -12.091 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.595 -0.747 -12.727 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.312 -0.296 -14.426 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.347 -1.539 -13.753 1.00 0.00 H new ATOM 665 N ILE A 44 1.216 -0.655 -9.495 1.00 0.00 N ATOM 666 CA ILE A 44 0.331 -0.413 -8.362 1.00 0.00 C ATOM 667 C ILE A 44 0.861 0.711 -7.480 1.00 0.00 C ATOM 668 O ILE A 44 0.128 1.637 -7.131 1.00 0.00 O ATOM 669 CB ILE A 44 0.149 -1.680 -7.507 1.00 0.00 C ATOM 670 CG1 ILE A 44 -0.607 -2.752 -8.296 1.00 0.00 C ATOM 671 CG2 ILE A 44 -0.584 -1.351 -6.215 1.00 0.00 C ATOM 672 CD1 ILE A 44 -0.582 -4.119 -7.651 1.00 0.00 C ATOM 0 H ILE A 44 1.692 -1.557 -9.473 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.635 -0.123 -8.774 1.00 0.00 H new ATOM 0 HB ILE A 44 1.135 -2.070 -7.252 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.643 -2.437 -8.417 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.177 -2.825 -9.295 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.704 -2.259 -5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.009 -0.620 -5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.565 -0.938 -6.448 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.139 -4.823 -8.269 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.450 -4.457 -7.555 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.039 -4.064 -6.663 1.00 0.00 H new ATOM 684 N PHE A 45 2.137 0.623 -7.121 1.00 0.00 N ATOM 685 CA PHE A 45 2.778 1.654 -6.312 1.00 0.00 C ATOM 686 C PHE A 45 2.760 3.001 -7.023 1.00 0.00 C ATOM 687 O PHE A 45 2.461 4.029 -6.416 1.00 0.00 O ATOM 688 CB PHE A 45 4.216 1.254 -5.980 1.00 0.00 C ATOM 689 CG PHE A 45 4.918 2.218 -5.065 1.00 0.00 C ATOM 690 CD1 PHE A 45 4.786 2.110 -3.689 1.00 0.00 C ATOM 691 CD2 PHE A 45 5.709 3.234 -5.579 1.00 0.00 C ATOM 692 CE1 PHE A 45 5.430 2.997 -2.846 1.00 0.00 C ATOM 693 CE2 PHE A 45 6.354 4.120 -4.740 1.00 0.00 C ATOM 694 CZ PHE A 45 6.215 4.002 -3.372 1.00 0.00 C ATOM 0 H PHE A 45 2.748 -0.152 -7.377 1.00 0.00 H new ATOM 0 HA PHE A 45 2.214 1.751 -5.384 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.211 0.267 -5.518 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.783 1.169 -6.907 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.174 1.325 -3.271 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.822 3.333 -6.648 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.318 2.903 -1.776 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.968 4.906 -5.154 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.720 4.695 -2.715 1.00 0.00 H new ATOM 704 N GLY A 46 3.083 2.990 -8.312 1.00 0.00 N ATOM 705 CA GLY A 46 3.160 4.218 -9.093 1.00 0.00 C ATOM 706 C GLY A 46 1.794 4.884 -9.209 1.00 0.00 C ATOM 707 O GLY A 46 1.670 6.099 -9.056 1.00 0.00 O ATOM 0 H GLY A 46 3.296 2.142 -8.838 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.864 4.906 -8.625 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.545 3.996 -10.088 1.00 0.00 H new ATOM 711 N ASP A 47 0.772 4.080 -9.481 1.00 0.00 N ATOM 712 CA ASP A 47 -0.589 4.589 -9.612 1.00 0.00 C ATOM 713 C ASP A 47 -1.097 5.150 -8.291 1.00 0.00 C ATOM 714 O ASP A 47 -1.805 6.157 -8.265 1.00 0.00 O ATOM 715 CB ASP A 47 -1.527 3.488 -10.113 1.00 0.00 C ATOM 716 CG ASP A 47 -1.374 3.154 -11.591 1.00 0.00 C ATOM 717 OD1 ASP A 47 -0.724 3.901 -12.284 1.00 0.00 O ATOM 718 OD2 ASP A 47 -1.771 2.083 -11.982 1.00 0.00 O ATOM 0 H ASP A 47 0.860 3.073 -9.615 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.573 5.399 -10.341 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.351 2.585 -9.529 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.557 3.793 -9.927 1.00 0.00 H new ATOM 723 N SER A 48 -0.734 4.492 -7.195 1.00 0.00 N ATOM 724 CA SER A 48 -1.107 4.956 -5.864 1.00 0.00 C ATOM 725 C SER A 48 -0.435 6.282 -5.535 1.00 0.00 C ATOM 726 O SER A 48 -1.042 7.161 -4.923 1.00 0.00 O ATOM 727 CB SER A 48 -0.747 3.909 -4.828 1.00 0.00 C ATOM 728 OG SER A 48 -1.476 2.725 -5.000 1.00 0.00 O ATOM 0 H SER A 48 -0.181 3.635 -7.203 1.00 0.00 H new ATOM 0 HA SER A 48 -2.185 5.115 -5.848 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.319 3.690 -4.890 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.933 4.307 -3.831 1.00 0.00 H new ATOM 0 HG SER A 48 -1.071 2.192 -5.716 1.00 0.00 H new ATOM 734 N ASP A 49 0.822 6.421 -5.944 1.00 0.00 N ATOM 735 CA ASP A 49 1.568 7.653 -5.719 1.00 0.00 C ATOM 736 C ASP A 49 1.086 8.765 -6.642 1.00 0.00 C ATOM 737 O ASP A 49 1.707 9.049 -7.667 1.00 0.00 O ATOM 738 CB ASP A 49 3.067 7.417 -5.921 1.00 0.00 C ATOM 739 CG ASP A 49 3.944 8.615 -5.583 1.00 0.00 C ATOM 740 OD1 ASP A 49 3.439 9.555 -5.019 1.00 0.00 O ATOM 741 OD2 ASP A 49 5.136 8.517 -5.747 1.00 0.00 O ATOM 0 H ASP A 49 1.345 5.695 -6.433 1.00 0.00 H new ATOM 0 HA ASP A 49 1.394 7.964 -4.689 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.375 6.572 -5.306 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.241 7.136 -6.960 1.00 0.00 H new ATOM 746 N THR A 50 -0.026 9.393 -6.274 1.00 0.00 N ATOM 747 CA THR A 50 -0.612 10.454 -7.083 1.00 0.00 C ATOM 748 C THR A 50 0.094 11.782 -6.843 1.00 0.00 C ATOM 749 O THR A 50 0.096 12.660 -7.706 1.00 0.00 O ATOM 750 CB THR A 50 -2.114 10.623 -6.793 1.00 0.00 C ATOM 751 OG1 THR A 50 -2.299 11.015 -5.427 1.00 0.00 O ATOM 752 CG2 THR A 50 -2.856 9.319 -7.048 1.00 0.00 C ATOM 0 H THR A 50 -0.540 9.184 -5.418 1.00 0.00 H new ATOM 0 HA THR A 50 -0.485 10.161 -8.125 1.00 0.00 H new ATOM 0 HB THR A 50 -2.512 11.392 -7.455 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.485 10.818 -4.917 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.917 9.457 -6.838 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.728 9.025 -8.090 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.456 8.540 -6.399 1.00 0.00 H new ATOM 760 N ASP A 51 0.692 11.925 -5.665 1.00 0.00 N ATOM 761 CA ASP A 51 1.498 13.099 -5.352 1.00 0.00 C ATOM 762 C ASP A 51 2.871 13.014 -6.005 1.00 0.00 C ATOM 763 O ASP A 51 3.589 14.011 -6.095 1.00 0.00 O ATOM 764 CB ASP A 51 1.644 13.261 -3.837 1.00 0.00 C ATOM 765 CG ASP A 51 0.388 13.753 -3.132 1.00 0.00 C ATOM 766 OD1 ASP A 51 -0.501 14.222 -3.802 1.00 0.00 O ATOM 767 OD2 ASP A 51 0.260 13.514 -1.955 1.00 0.00 O ATOM 0 H ASP A 51 0.633 11.241 -4.910 1.00 0.00 H new ATOM 0 HA ASP A 51 0.984 13.973 -5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.934 12.302 -3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.456 13.960 -3.635 1.00 0.00 H new ATOM 772 N LYS A 52 3.232 11.819 -6.460 1.00 0.00 N ATOM 773 CA LYS A 52 4.495 11.615 -7.161 1.00 0.00 C ATOM 774 C LYS A 52 5.678 12.033 -6.297 1.00 0.00 C ATOM 775 O LYS A 52 6.569 12.748 -6.755 1.00 0.00 O ATOM 776 CB LYS A 52 4.505 12.389 -8.480 1.00 0.00 C ATOM 777 CG LYS A 52 3.429 11.963 -9.468 1.00 0.00 C ATOM 778 CD LYS A 52 3.500 12.779 -10.751 1.00 0.00 C ATOM 779 CE LYS A 52 2.396 12.386 -11.720 1.00 0.00 C ATOM 780 NZ LYS A 52 2.399 13.236 -12.942 1.00 0.00 N ATOM 0 H LYS A 52 2.667 10.976 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 52 4.591 10.551 -7.375 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.384 13.451 -8.265 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.481 12.269 -8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.545 10.905 -9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.446 12.083 -9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.418 13.840 -10.514 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.471 12.632 -11.224 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.518 11.341 -12.005 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.430 12.470 -11.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.631 12.935 -13.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.257 14.231 -12.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.311 13.137 -13.432 1.00 0.00 H new ATOM 794 N ASN A 53 5.680 11.583 -5.047 1.00 0.00 N ATOM 795 CA ASN A 53 6.704 11.985 -4.091 1.00 0.00 C ATOM 796 C ASN A 53 7.439 10.774 -3.531 1.00 0.00 C ATOM 797 O ASN A 53 8.293 10.905 -2.653 1.00 0.00 O ATOM 798 CB ASN A 53 6.117 12.811 -2.961 1.00 0.00 C ATOM 799 CG ASN A 53 5.109 12.067 -2.129 1.00 0.00 C ATOM 800 OD1 ASN A 53 4.823 10.889 -2.370 1.00 0.00 O ATOM 801 ND2 ASN A 53 4.509 12.774 -1.205 1.00 0.00 N ATOM 0 H ASN A 53 4.983 10.939 -4.672 1.00 0.00 H new ATOM 0 HA ASN A 53 7.420 12.606 -4.629 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.926 13.154 -2.316 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.645 13.700 -3.380 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.767 12.355 -0.644 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.783 13.743 -1.046 1.00 0.00 H new ATOM 808 N GLY A 54 7.102 9.595 -4.042 1.00 0.00 N ATOM 809 CA GLY A 54 7.779 8.366 -3.645 1.00 0.00 C ATOM 810 C GLY A 54 7.166 7.785 -2.377 1.00 0.00 C ATOM 811 O GLY A 54 7.672 6.809 -1.822 1.00 0.00 O ATOM 0 H GLY A 54 6.363 9.464 -4.733 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.714 7.635 -4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.838 8.567 -3.481 1.00 0.00 H new ATOM 815 N ARG A 55 6.072 8.389 -1.924 1.00 0.00 N ATOM 816 CA ARG A 55 5.412 7.957 -0.697 1.00 0.00 C ATOM 817 C ARG A 55 3.905 7.856 -0.890 1.00 0.00 C ATOM 818 O ARG A 55 3.267 8.787 -1.380 1.00 0.00 O ATOM 819 CB ARG A 55 5.764 8.848 0.485 1.00 0.00 C ATOM 820 CG ARG A 55 7.226 8.814 0.899 1.00 0.00 C ATOM 821 CD ARG A 55 7.673 7.517 1.468 1.00 0.00 C ATOM 822 NE ARG A 55 9.049 7.505 1.935 1.00 0.00 N ATOM 823 CZ ARG A 55 10.118 7.240 1.159 1.00 0.00 C ATOM 824 NH1 ARG A 55 9.972 6.925 -0.109 1.00 0.00 N ATOM 825 NH2 ARG A 55 11.317 7.278 1.713 1.00 0.00 N ATOM 0 H ARG A 55 5.624 9.179 -2.388 1.00 0.00 H new ATOM 0 HA ARG A 55 5.786 6.960 -0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.495 9.875 0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.153 8.553 1.338 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.842 9.048 0.031 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.401 9.599 1.635 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.018 7.255 2.299 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.553 6.742 0.711 1.00 0.00 H new ATOM 0 HE ARG A 55 9.217 7.712 2.920 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.039 6.878 -0.519 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.792 6.727 -0.683 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.414 7.503 2.703 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.145 7.082 1.151 1.00 0.00 H new ATOM 839 N ILE A 56 3.340 6.718 -0.500 1.00 0.00 N ATOM 840 CA ILE A 56 1.892 6.546 -0.491 1.00 0.00 C ATOM 841 C ILE A 56 1.290 7.006 0.830 1.00 0.00 C ATOM 842 O ILE A 56 1.515 6.392 1.872 1.00 0.00 O ATOM 843 CB ILE A 56 1.496 5.079 -0.741 1.00 0.00 C ATOM 844 CG1 ILE A 56 1.971 4.625 -2.125 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.009 4.904 -0.608 1.00 0.00 C ATOM 846 CD1 ILE A 56 1.782 3.148 -2.381 1.00 0.00 C ATOM 0 H ILE A 56 3.863 5.901 -0.186 1.00 0.00 H new ATOM 0 HA ILE A 56 1.498 7.162 -1.299 1.00 0.00 H new ATOM 0 HB ILE A 56 1.982 4.457 0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.432 5.188 -2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.027 4.871 -2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.271 3.861 -0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.321 5.189 0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.515 5.536 -1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.141 2.903 -3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.344 2.576 -1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.724 2.898 -2.305 1.00 0.00 H new ATOM 858 N ASP A 57 0.524 8.091 0.779 1.00 0.00 N ATOM 859 CA ASP A 57 -0.127 8.625 1.969 1.00 0.00 C ATOM 860 C ASP A 57 -1.459 7.933 2.226 1.00 0.00 C ATOM 861 O ASP A 57 -1.797 6.951 1.563 1.00 0.00 O ATOM 862 CB ASP A 57 -0.337 10.136 1.833 1.00 0.00 C ATOM 863 CG ASP A 57 -1.368 10.535 0.787 1.00 0.00 C ATOM 864 OD1 ASP A 57 -2.121 9.687 0.368 1.00 0.00 O ATOM 865 OD2 ASP A 57 -1.501 11.708 0.530 1.00 0.00 O ATOM 0 H ASP A 57 0.339 8.618 -0.075 1.00 0.00 H new ATOM 0 HA ASP A 57 0.526 8.433 2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.644 10.536 2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.616 10.602 1.583 1.00 0.00 H new ATOM 870 N PHE A 58 -2.211 8.448 3.192 1.00 0.00 N ATOM 871 CA PHE A 58 -3.404 7.765 3.680 1.00 0.00 C ATOM 872 C PHE A 58 -4.429 7.585 2.569 1.00 0.00 C ATOM 873 O PHE A 58 -4.892 6.473 2.313 1.00 0.00 O ATOM 874 CB PHE A 58 -4.022 8.539 4.846 1.00 0.00 C ATOM 875 CG PHE A 58 -5.266 7.907 5.402 1.00 0.00 C ATOM 876 CD1 PHE A 58 -5.186 6.804 6.239 1.00 0.00 C ATOM 877 CD2 PHE A 58 -6.519 8.412 5.087 1.00 0.00 C ATOM 878 CE1 PHE A 58 -6.331 6.221 6.750 1.00 0.00 C ATOM 879 CE2 PHE A 58 -7.664 7.831 5.598 1.00 0.00 C ATOM 880 CZ PHE A 58 -7.569 6.735 6.431 1.00 0.00 C ATOM 0 H PHE A 58 -2.016 9.337 3.653 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.104 6.777 4.029 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.284 8.628 5.643 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.257 9.551 4.515 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.219 6.396 6.494 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.601 9.269 4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.255 5.362 7.400 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.633 8.235 5.345 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.463 6.281 6.832 1.00 0.00 H new ATOM 890 N ASP A 59 -4.780 8.684 1.910 1.00 0.00 N ATOM 891 CA ASP A 59 -5.772 8.652 0.842 1.00 0.00 C ATOM 892 C ASP A 59 -5.297 7.799 -0.326 1.00 0.00 C ATOM 893 O ASP A 59 -6.084 7.083 -0.947 1.00 0.00 O ATOM 894 CB ASP A 59 -6.088 10.071 0.362 1.00 0.00 C ATOM 895 CG ASP A 59 -6.931 10.890 1.330 1.00 0.00 C ATOM 896 OD1 ASP A 59 -7.475 10.317 2.244 1.00 0.00 O ATOM 897 OD2 ASP A 59 -6.899 12.093 1.243 1.00 0.00 O ATOM 0 H ASP A 59 -4.392 9.609 2.097 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.680 8.203 1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.151 10.597 0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.609 10.011 -0.593 1.00 0.00 H new ATOM 902 N GLU A 60 -4.003 7.878 -0.623 1.00 0.00 N ATOM 903 CA GLU A 60 -3.407 7.060 -1.672 1.00 0.00 C ATOM 904 C GLU A 60 -3.349 5.594 -1.262 1.00 0.00 C ATOM 905 O GLU A 60 -3.427 4.701 -2.105 1.00 0.00 O ATOM 906 CB GLU A 60 -2.004 7.567 -2.013 1.00 0.00 C ATOM 907 CG GLU A 60 -1.975 8.917 -2.714 1.00 0.00 C ATOM 908 CD GLU A 60 -0.597 9.520 -2.684 1.00 0.00 C ATOM 909 OE1 GLU A 60 0.222 9.044 -1.935 1.00 0.00 O ATOM 910 OE2 GLU A 60 -0.330 10.380 -3.489 1.00 0.00 O ATOM 0 H GLU A 60 -3.348 8.501 -0.151 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.038 7.141 -2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.423 7.637 -1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.510 6.831 -2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.300 8.799 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.681 9.594 -2.233 1.00 0.00 H new ATOM 917 N PHE A 61 -3.213 5.355 0.037 1.00 0.00 N ATOM 918 CA PHE A 61 -3.228 3.997 0.571 1.00 0.00 C ATOM 919 C PHE A 61 -4.562 3.314 0.300 1.00 0.00 C ATOM 920 O PHE A 61 -4.608 2.131 -0.037 1.00 0.00 O ATOM 921 CB PHE A 61 -2.939 4.011 2.074 1.00 0.00 C ATOM 922 CG PHE A 61 -2.980 2.651 2.711 1.00 0.00 C ATOM 923 CD1 PHE A 61 -1.840 1.867 2.779 1.00 0.00 C ATOM 924 CD2 PHE A 61 -4.161 2.154 3.243 1.00 0.00 C ATOM 925 CE1 PHE A 61 -1.876 0.615 3.365 1.00 0.00 C ATOM 926 CE2 PHE A 61 -4.201 0.904 3.831 1.00 0.00 C ATOM 927 CZ PHE A 61 -3.056 0.135 3.891 1.00 0.00 C ATOM 0 H PHE A 61 -3.091 6.083 0.741 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.447 3.430 0.065 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.956 4.451 2.242 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.666 4.656 2.568 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.912 2.238 2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.060 2.751 3.197 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.980 0.014 3.410 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.126 0.529 4.243 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.085 -0.842 4.350 1.00 0.00 H new ATOM 937 N LEU A 62 -5.648 4.066 0.450 1.00 0.00 N ATOM 938 CA LEU A 62 -6.983 3.547 0.177 1.00 0.00 C ATOM 939 C LEU A 62 -7.100 3.061 -1.262 1.00 0.00 C ATOM 940 O LEU A 62 -7.757 2.057 -1.536 1.00 0.00 O ATOM 941 CB LEU A 62 -8.038 4.622 0.465 1.00 0.00 C ATOM 942 CG LEU A 62 -8.086 5.118 1.916 1.00 0.00 C ATOM 943 CD1 LEU A 62 -9.045 6.294 2.035 1.00 0.00 C ATOM 944 CD2 LEU A 62 -8.514 3.978 2.829 1.00 0.00 C ATOM 0 H LEU A 62 -5.629 5.038 0.759 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.157 2.695 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.852 5.475 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.019 4.226 0.201 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.095 5.456 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.072 6.638 3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.707 7.106 1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.044 5.981 1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.548 4.331 3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.502 3.626 2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.799 3.160 2.749 1.00 0.00 H new ATOM 956 N LYS A 63 -6.460 3.780 -2.178 1.00 0.00 N ATOM 957 CA LYS A 63 -6.402 3.366 -3.574 1.00 0.00 C ATOM 958 C LYS A 63 -5.508 2.144 -3.749 1.00 0.00 C ATOM 959 O LYS A 63 -5.832 1.230 -4.508 1.00 0.00 O ATOM 960 CB LYS A 63 -5.903 4.512 -4.455 1.00 0.00 C ATOM 961 CG LYS A 63 -5.837 4.183 -5.940 1.00 0.00 C ATOM 962 CD LYS A 63 -5.300 5.358 -6.744 1.00 0.00 C ATOM 963 CE LYS A 63 -5.257 5.039 -8.231 1.00 0.00 C ATOM 964 NZ LYS A 63 -4.603 6.123 -9.013 1.00 0.00 N ATOM 0 H LYS A 63 -5.973 4.654 -1.978 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.412 3.098 -3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.557 5.373 -4.315 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.910 4.808 -4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.199 3.313 -6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.831 3.917 -6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.928 6.233 -6.576 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.299 5.612 -6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.719 4.104 -8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.272 4.887 -8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.699 5.924 -10.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.058 7.032 -8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.595 6.171 -8.763 1.00 0.00 H new ATOM 978 N MET A 64 -4.384 2.135 -3.042 1.00 0.00 N ATOM 979 CA MET A 64 -3.403 1.063 -3.176 1.00 0.00 C ATOM 980 C MET A 64 -4.012 -0.288 -2.822 1.00 0.00 C ATOM 981 O MET A 64 -3.935 -1.237 -3.601 1.00 0.00 O ATOM 982 CB MET A 64 -2.191 1.344 -2.293 1.00 0.00 C ATOM 983 CG MET A 64 -1.082 0.305 -2.395 1.00 0.00 C ATOM 984 SD MET A 64 -1.406 -1.158 -1.390 1.00 0.00 S ATOM 985 CE MET A 64 -1.106 -0.514 0.253 1.00 0.00 C ATOM 0 H MET A 64 -4.129 2.858 -2.370 1.00 0.00 H new ATOM 0 HA MET A 64 -3.083 1.026 -4.217 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.783 2.320 -2.557 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.519 1.406 -1.256 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.964 0.007 -3.437 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.139 0.754 -2.083 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.179 -1.323 0.980 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.109 -0.077 0.296 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.848 0.250 0.485 1.00 0.00 H new ATOM 995 N MET A 65 -4.618 -0.367 -1.642 1.00 0.00 N ATOM 996 CA MET A 65 -5.220 -1.609 -1.172 1.00 0.00 C ATOM 997 C MET A 65 -6.355 -2.052 -2.085 1.00 0.00 C ATOM 998 O MET A 65 -6.618 -3.246 -2.230 1.00 0.00 O ATOM 999 CB MET A 65 -5.727 -1.440 0.259 1.00 0.00 C ATOM 1000 CG MET A 65 -4.631 -1.352 1.311 1.00 0.00 C ATOM 1001 SD MET A 65 -3.617 -2.843 1.382 1.00 0.00 S ATOM 1002 CE MET A 65 -4.801 -4.028 2.012 1.00 0.00 C ATOM 0 H MET A 65 -4.705 0.415 -0.993 1.00 0.00 H new ATOM 0 HA MET A 65 -4.453 -2.384 -1.189 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.336 -0.538 0.311 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.379 -2.279 0.501 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.994 -0.494 1.096 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.083 -1.177 2.287 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.274 -4.909 2.378 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.367 -3.579 2.828 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.484 -4.319 1.214 1.00 0.00 H new ATOM 1012 N GLU A 66 -7.025 -1.083 -2.700 1.00 0.00 N ATOM 1013 CA GLU A 66 -8.080 -1.374 -3.664 1.00 0.00 C ATOM 1014 C GLU A 66 -7.520 -2.058 -4.904 1.00 0.00 C ATOM 1015 O GLU A 66 -8.147 -2.953 -5.468 1.00 0.00 O ATOM 1016 CB GLU A 66 -8.815 -0.091 -4.057 1.00 0.00 C ATOM 1017 CG GLU A 66 -9.998 -0.304 -4.991 1.00 0.00 C ATOM 1018 CD GLU A 66 -10.726 0.985 -5.254 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -10.331 1.989 -4.713 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -11.608 0.987 -6.081 1.00 0.00 O ATOM 0 H GLU A 66 -6.856 -0.089 -2.548 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.786 -2.055 -3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.167 0.403 -3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.108 0.586 -4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.649 -0.725 -5.934 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.684 -1.029 -4.553 1.00 0.00 H new ATOM 1027 N ASN A 67 -6.335 -1.628 -5.326 1.00 0.00 N ATOM 1028 CA ASN A 67 -5.731 -2.130 -6.554 1.00 0.00 C ATOM 1029 C ASN A 67 -4.519 -3.003 -6.254 1.00 0.00 C ATOM 1030 O ASN A 67 -3.730 -3.315 -7.147 1.00 0.00 O ATOM 1031 CB ASN A 67 -5.343 -0.996 -7.485 1.00 0.00 C ATOM 1032 CG ASN A 67 -6.516 -0.235 -8.033 1.00 0.00 C ATOM 1033 OD1 ASN A 67 -7.330 -0.771 -8.794 1.00 0.00 O ATOM 1034 ND2 ASN A 67 -6.564 1.034 -7.717 1.00 0.00 N ATOM 0 H ASN A 67 -5.774 -0.932 -4.835 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.481 -2.741 -7.056 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.691 -0.305 -6.950 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.765 -1.401 -8.315 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.297 1.628 -8.104 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.868 1.429 -7.084 1.00 0.00 H new ATOM 1041 N VAL A 68 -4.376 -3.397 -4.994 1.00 0.00 N ATOM 1042 CA VAL A 68 -3.252 -4.225 -4.571 1.00 0.00 C ATOM 1043 C VAL A 68 -3.351 -5.628 -5.156 1.00 0.00 C ATOM 1044 O VAL A 68 -2.349 -6.331 -5.281 1.00 0.00 O ATOM 1045 CB VAL A 68 -3.168 -4.323 -3.037 1.00 0.00 C ATOM 1046 CG1 VAL A 68 -4.180 -5.331 -2.512 1.00 0.00 C ATOM 1047 CG2 VAL A 68 -1.762 -4.708 -2.604 1.00 0.00 C ATOM 0 H VAL A 68 -5.026 -3.156 -4.246 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.349 -3.743 -4.944 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.403 -3.345 -2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.107 -5.388 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.185 -5.017 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.973 -6.311 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.721 -4.773 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.500 -5.674 -3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.055 -3.953 -2.949 1.00 0.00 H new ATOM 1057 N GLN A 69 -4.567 -6.030 -5.513 1.00 0.00 N ATOM 1058 CA GLN A 69 -4.794 -7.340 -6.113 1.00 0.00 C ATOM 1059 C GLN A 69 -4.228 -7.405 -7.525 1.00 0.00 C ATOM 1060 O GLN A 69 -3.054 -7.587 -7.693 1.00 0.00 O ATOM 1061 CB GLN A 69 -6.291 -7.663 -6.140 1.00 0.00 C ATOM 1062 CG GLN A 69 -6.622 -9.028 -6.719 1.00 0.00 C ATOM 1063 CD GLN A 69 -8.091 -9.378 -6.573 1.00 0.00 C ATOM 1064 OE1 GLN A 69 -8.873 -8.609 -6.006 1.00 0.00 O ATOM 1065 NE2 GLN A 69 -8.474 -10.543 -7.080 1.00 0.00 N ATOM 1066 OXT GLN A 69 -4.956 -7.274 -8.470 1.00 0.00 O ATOM 0 H GLN A 69 -5.410 -5.467 -5.397 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.278 -8.079 -5.501 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.682 -7.607 -5.124 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.806 -6.899 -6.722 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.350 -9.048 -7.774 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.019 -9.787 -6.220 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.793 -11.147 -7.540 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.449 -10.834 -7.009 1.00 0.00 H new TER 1075 GLN A 69