USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 654 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.43 USER MOD Single : A 6 GLN : amide:sc= -0.397 K(o=-0.4,f=-1.1) USER MOD Single : A 7 GLN : amide:sc= -8.69! C(o=-8.7!,f=-19!) USER MOD Single : A 15 SER OG : rot -162:sc= -2.48! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 146:sc= -0.262 (180deg=-0.965) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc=0.000545 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -14:sc= 0.216 USER MOD Single : A 46 MET CE :methyl -161:sc= -0.359 (180deg=-1.07) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc=-0.00727 X(o=-0.0073,f=-0.18) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00862 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.233 USER MOD Single : A 81 MET CE :methyl 162:sc= -5.47! (180deg=-6.17!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.120 -4.195 -9.667 1.00 0.00 N ATOM 2 CA ALA A 1 -10.367 -3.814 -10.389 1.00 0.00 C ATOM 3 C ALA A 1 -11.377 -3.240 -9.393 1.00 0.00 C ATOM 4 O ALA A 1 -11.866 -2.139 -9.555 1.00 0.00 O ATOM 5 CB ALA A 1 -10.963 -5.050 -11.064 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.433 -4.585 -10.343 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.715 -3.355 -9.207 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.341 -4.911 -8.946 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.135 -3.064 -11.145 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.875 -4.772 -11.592 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.244 -5.460 -11.773 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.196 -5.801 -10.309 1.00 0.00 H new ATOM 13 N SER A 2 -11.695 -3.976 -8.364 1.00 0.00 N ATOM 14 CA SER A 2 -12.671 -3.470 -7.360 1.00 0.00 C ATOM 15 C SER A 2 -12.913 -4.545 -6.297 1.00 0.00 C ATOM 16 O SER A 2 -14.023 -4.996 -6.099 1.00 0.00 O ATOM 17 CB SER A 2 -13.990 -3.133 -8.057 1.00 0.00 C ATOM 18 OG SER A 2 -14.349 -1.792 -7.753 1.00 0.00 O ATOM 0 H SER A 2 -11.321 -4.906 -8.176 1.00 0.00 H new ATOM 0 HA SER A 2 -12.273 -2.574 -6.885 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.888 -3.260 -9.135 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.774 -3.816 -7.728 1.00 0.00 H new ATOM 0 HG SER A 2 -15.193 -1.570 -8.199 1.00 0.00 H new ATOM 24 N MET A 3 -11.881 -4.954 -5.610 1.00 0.00 N ATOM 25 CA MET A 3 -12.050 -5.996 -4.559 1.00 0.00 C ATOM 26 C MET A 3 -12.588 -7.282 -5.191 1.00 0.00 C ATOM 27 O MET A 3 -13.152 -8.124 -4.522 1.00 0.00 O ATOM 28 CB MET A 3 -13.037 -5.496 -3.502 1.00 0.00 C ATOM 29 CG MET A 3 -12.432 -4.300 -2.765 1.00 0.00 C ATOM 30 SD MET A 3 -13.361 -2.804 -3.181 1.00 0.00 S ATOM 31 CE MET A 3 -11.942 -1.695 -3.355 1.00 0.00 C ATOM 0 H MET A 3 -10.928 -4.611 -5.732 1.00 0.00 H new ATOM 0 HA MET A 3 -11.086 -6.199 -4.092 1.00 0.00 H new ATOM 0 HB2 MET A 3 -13.977 -5.209 -3.974 1.00 0.00 H new ATOM 0 HB3 MET A 3 -13.266 -6.294 -2.796 1.00 0.00 H new ATOM 0 HG2 MET A 3 -12.459 -4.471 -1.689 1.00 0.00 H new ATOM 0 HG3 MET A 3 -11.385 -4.180 -3.042 1.00 0.00 H new ATOM 0 HE1 MET A 3 -12.291 -0.696 -3.616 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.395 -1.654 -2.413 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.284 -2.066 -4.141 1.00 0.00 H new ATOM 41 N THR A 4 -12.415 -7.441 -6.475 1.00 0.00 N ATOM 42 CA THR A 4 -12.916 -8.675 -7.144 1.00 0.00 C ATOM 43 C THR A 4 -11.829 -9.759 -7.086 1.00 0.00 C ATOM 44 O THR A 4 -11.585 -10.337 -6.045 1.00 0.00 O ATOM 45 CB THR A 4 -13.284 -8.352 -8.597 1.00 0.00 C ATOM 46 OG1 THR A 4 -13.385 -9.558 -9.343 1.00 0.00 O ATOM 47 CG2 THR A 4 -12.214 -7.448 -9.213 1.00 0.00 C ATOM 0 H THR A 4 -11.950 -6.772 -7.088 1.00 0.00 H new ATOM 0 HA THR A 4 -13.806 -9.044 -6.634 1.00 0.00 H new ATOM 0 HB THR A 4 -14.243 -7.835 -8.619 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.622 -9.350 -10.271 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.480 -7.221 -10.245 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.149 -6.521 -8.643 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.250 -7.957 -9.190 1.00 0.00 H new ATOM 55 N ASP A 5 -11.165 -10.041 -8.177 1.00 0.00 N ATOM 56 CA ASP A 5 -10.099 -11.080 -8.145 1.00 0.00 C ATOM 57 C ASP A 5 -8.760 -10.418 -7.816 1.00 0.00 C ATOM 58 O ASP A 5 -7.856 -11.043 -7.299 1.00 0.00 O ATOM 59 CB ASP A 5 -10.010 -11.766 -9.510 1.00 0.00 C ATOM 60 CG ASP A 5 -9.960 -13.282 -9.318 1.00 0.00 C ATOM 61 OD1 ASP A 5 -9.490 -13.713 -8.277 1.00 0.00 O ATOM 62 OD2 ASP A 5 -10.393 -13.989 -10.213 1.00 0.00 O ATOM 0 H ASP A 5 -11.315 -9.598 -9.083 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.336 -11.823 -7.384 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.870 -11.495 -10.122 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.121 -11.427 -10.042 1.00 0.00 H new ATOM 67 N GLN A 6 -8.628 -9.154 -8.115 1.00 0.00 N ATOM 68 CA GLN A 6 -7.351 -8.446 -7.823 1.00 0.00 C ATOM 69 C GLN A 6 -7.002 -8.612 -6.342 1.00 0.00 C ATOM 70 O GLN A 6 -6.041 -9.269 -5.991 1.00 0.00 O ATOM 71 CB GLN A 6 -7.511 -6.959 -8.147 1.00 0.00 C ATOM 72 CG GLN A 6 -6.132 -6.336 -8.374 1.00 0.00 C ATOM 73 CD GLN A 6 -5.589 -6.783 -9.732 1.00 0.00 C ATOM 74 OE1 GLN A 6 -4.951 -7.812 -9.836 1.00 0.00 O ATOM 75 NE2 GLN A 6 -5.815 -6.047 -10.786 1.00 0.00 N ATOM 0 H GLN A 6 -9.351 -8.581 -8.550 1.00 0.00 H new ATOM 0 HA GLN A 6 -6.552 -8.868 -8.432 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.129 -6.834 -9.036 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.022 -6.450 -7.329 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.202 -5.249 -8.338 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -5.449 -6.638 -7.580 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -6.350 -5.183 -10.700 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -5.456 -6.336 -11.696 1.00 0.00 H new ATOM 84 N GLN A 7 -7.773 -8.022 -5.471 1.00 0.00 N ATOM 85 CA GLN A 7 -7.484 -8.145 -4.015 1.00 0.00 C ATOM 86 C GLN A 7 -7.617 -9.609 -3.592 1.00 0.00 C ATOM 87 O GLN A 7 -6.808 -10.126 -2.849 1.00 0.00 O ATOM 88 CB GLN A 7 -8.477 -7.295 -3.222 1.00 0.00 C ATOM 89 CG GLN A 7 -7.836 -5.949 -2.876 1.00 0.00 C ATOM 90 CD GLN A 7 -7.758 -5.080 -4.134 1.00 0.00 C ATOM 91 OE1 GLN A 7 -6.681 -4.762 -4.598 1.00 0.00 O ATOM 92 NE2 GLN A 7 -8.860 -4.682 -4.707 1.00 0.00 N ATOM 0 H GLN A 7 -8.591 -7.460 -5.705 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.470 -7.798 -3.816 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.384 -7.138 -3.805 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.770 -7.815 -2.310 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.421 -5.443 -2.108 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -6.838 -6.104 -2.466 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.763 -4.950 -4.316 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.818 -4.103 -5.546 1.00 0.00 H new ATOM 101 N ALA A 8 -8.635 -10.280 -4.057 1.00 0.00 N ATOM 102 CA ALA A 8 -8.820 -11.708 -3.680 1.00 0.00 C ATOM 103 C ALA A 8 -7.571 -12.505 -4.059 1.00 0.00 C ATOM 104 O ALA A 8 -7.335 -13.587 -3.557 1.00 0.00 O ATOM 105 CB ALA A 8 -10.031 -12.277 -4.420 1.00 0.00 C ATOM 0 H ALA A 8 -9.346 -9.900 -4.682 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.983 -11.780 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.167 -13.323 -4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.922 -11.711 -4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.868 -12.203 -5.495 1.00 0.00 H new ATOM 111 N GLU A 9 -6.767 -11.981 -4.944 1.00 0.00 N ATOM 112 CA GLU A 9 -5.536 -12.713 -5.356 1.00 0.00 C ATOM 113 C GLU A 9 -4.381 -12.340 -4.425 1.00 0.00 C ATOM 114 O GLU A 9 -3.544 -13.158 -4.100 1.00 0.00 O ATOM 115 CB GLU A 9 -5.174 -12.332 -6.793 1.00 0.00 C ATOM 116 CG GLU A 9 -4.305 -13.430 -7.408 1.00 0.00 C ATOM 117 CD GLU A 9 -4.248 -13.246 -8.926 1.00 0.00 C ATOM 118 OE1 GLU A 9 -3.382 -12.518 -9.382 1.00 0.00 O ATOM 119 OE2 GLU A 9 -5.071 -13.837 -9.606 1.00 0.00 O ATOM 0 H GLU A 9 -6.909 -11.079 -5.399 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.717 -13.786 -5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.080 -12.197 -7.384 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.641 -11.382 -6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.300 -13.391 -6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.714 -14.411 -7.165 1.00 0.00 H new ATOM 126 N ALA A 10 -4.327 -11.109 -3.995 1.00 0.00 N ATOM 127 CA ALA A 10 -3.224 -10.687 -3.087 1.00 0.00 C ATOM 128 C ALA A 10 -3.374 -11.391 -1.738 1.00 0.00 C ATOM 129 O ALA A 10 -2.429 -11.931 -1.199 1.00 0.00 O ATOM 130 CB ALA A 10 -3.285 -9.171 -2.885 1.00 0.00 C ATOM 0 H ALA A 10 -4.998 -10.379 -4.233 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.265 -10.956 -3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.479 -8.860 -2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.176 -8.671 -3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.244 -8.901 -2.443 1.00 0.00 H new ATOM 136 N ARG A 11 -4.557 -11.389 -1.186 1.00 0.00 N ATOM 137 CA ARG A 11 -4.767 -12.060 0.129 1.00 0.00 C ATOM 138 C ARG A 11 -4.793 -13.576 -0.069 1.00 0.00 C ATOM 139 O ARG A 11 -4.565 -14.335 0.852 1.00 0.00 O ATOM 140 CB ARG A 11 -6.098 -11.602 0.726 1.00 0.00 C ATOM 141 CG ARG A 11 -7.221 -11.855 -0.281 1.00 0.00 C ATOM 142 CD ARG A 11 -8.020 -13.086 0.146 1.00 0.00 C ATOM 143 NE ARG A 11 -9.126 -12.670 1.053 1.00 0.00 N ATOM 144 CZ ARG A 11 -10.351 -13.040 0.800 1.00 0.00 C ATOM 145 NH1 ARG A 11 -11.036 -12.436 -0.133 1.00 0.00 N ATOM 146 NH2 ARG A 11 -10.892 -14.015 1.477 1.00 0.00 N ATOM 0 H ARG A 11 -5.386 -10.952 -1.588 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.954 -11.797 0.805 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.298 -12.140 1.653 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.051 -10.542 0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.875 -10.985 -0.338 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.804 -12.006 -1.277 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.425 -13.592 -0.730 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.368 -13.798 0.652 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.925 -12.096 1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.613 -11.675 -0.664 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.994 -12.725 -0.331 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.357 -14.489 2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.850 -14.304 1.278 1.00 0.00 H new ATOM 160 N ALA A 12 -5.067 -14.027 -1.264 1.00 0.00 N ATOM 161 CA ALA A 12 -5.106 -15.495 -1.512 1.00 0.00 C ATOM 162 C ALA A 12 -3.825 -16.132 -0.971 1.00 0.00 C ATOM 163 O ALA A 12 -3.854 -17.162 -0.330 1.00 0.00 O ATOM 164 CB ALA A 12 -5.210 -15.758 -3.016 1.00 0.00 C ATOM 0 H ALA A 12 -5.265 -13.443 -2.076 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.971 -15.927 -1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.238 -16.833 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.121 -15.301 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.345 -15.328 -3.521 1.00 0.00 H new ATOM 170 N PHE A 13 -2.700 -15.522 -1.222 1.00 0.00 N ATOM 171 CA PHE A 13 -1.417 -16.088 -0.720 1.00 0.00 C ATOM 172 C PHE A 13 -1.184 -15.614 0.715 1.00 0.00 C ATOM 173 O PHE A 13 -0.667 -16.338 1.543 1.00 0.00 O ATOM 174 CB PHE A 13 -0.263 -15.615 -1.607 1.00 0.00 C ATOM 175 CG PHE A 13 -0.742 -15.481 -3.033 1.00 0.00 C ATOM 176 CD1 PHE A 13 -1.449 -16.528 -3.636 1.00 0.00 C ATOM 177 CD2 PHE A 13 -0.479 -14.310 -3.752 1.00 0.00 C ATOM 178 CE1 PHE A 13 -1.892 -16.403 -4.959 1.00 0.00 C ATOM 179 CE2 PHE A 13 -0.922 -14.184 -5.074 1.00 0.00 C ATOM 180 CZ PHE A 13 -1.628 -15.232 -5.678 1.00 0.00 C ATOM 0 H PHE A 13 -2.614 -14.656 -1.753 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.466 -17.177 -0.744 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.116 -14.658 -1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.563 -16.324 -1.555 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.653 -17.432 -3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.066 -13.502 -3.287 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.437 -17.211 -5.424 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.719 -13.279 -5.628 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.969 -15.136 -6.698 1.00 0.00 H new ATOM 190 N LEU A 14 -1.564 -14.403 1.018 1.00 0.00 N ATOM 191 CA LEU A 14 -1.368 -13.883 2.401 1.00 0.00 C ATOM 192 C LEU A 14 -2.452 -14.454 3.317 1.00 0.00 C ATOM 193 O LEU A 14 -3.435 -13.802 3.612 1.00 0.00 O ATOM 194 CB LEU A 14 -1.458 -12.356 2.389 1.00 0.00 C ATOM 195 CG LEU A 14 -0.606 -11.803 1.247 1.00 0.00 C ATOM 196 CD1 LEU A 14 -0.938 -10.326 1.028 1.00 0.00 C ATOM 197 CD2 LEU A 14 0.876 -11.941 1.604 1.00 0.00 C ATOM 0 H LEU A 14 -2.002 -13.751 0.367 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.387 -14.184 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.495 -12.043 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.113 -11.953 3.342 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.817 -12.362 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.330 -9.933 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.993 -10.224 0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.728 -9.767 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.485 -11.547 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.084 -11.382 2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.116 -12.993 1.760 1.00 0.00 H new ATOM 209 N SER A 15 -2.285 -15.668 3.766 1.00 0.00 N ATOM 210 CA SER A 15 -3.307 -16.284 4.659 1.00 0.00 C ATOM 211 C SER A 15 -3.762 -15.262 5.702 1.00 0.00 C ATOM 212 O SER A 15 -3.142 -14.235 5.891 1.00 0.00 O ATOM 213 CB SER A 15 -2.700 -17.497 5.366 1.00 0.00 C ATOM 214 OG SER A 15 -1.396 -17.168 5.827 1.00 0.00 O ATOM 0 H SER A 15 -1.483 -16.261 3.552 1.00 0.00 H new ATOM 0 HA SER A 15 -4.164 -16.599 4.064 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.330 -17.797 6.204 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.654 -18.345 4.683 1.00 0.00 H new ATOM 0 HG SER A 15 -0.899 -17.991 6.017 1.00 0.00 H new ATOM 220 N GLU A 16 -4.842 -15.537 6.384 1.00 0.00 N ATOM 221 CA GLU A 16 -5.334 -14.581 7.416 1.00 0.00 C ATOM 222 C GLU A 16 -4.279 -14.438 8.515 1.00 0.00 C ATOM 223 O GLU A 16 -4.295 -13.499 9.285 1.00 0.00 O ATOM 224 CB GLU A 16 -6.635 -15.109 8.024 1.00 0.00 C ATOM 225 CG GLU A 16 -7.400 -13.954 8.674 1.00 0.00 C ATOM 226 CD GLU A 16 -8.380 -14.506 9.710 1.00 0.00 C ATOM 227 OE1 GLU A 16 -8.112 -15.571 10.241 1.00 0.00 O ATOM 228 OE2 GLU A 16 -9.383 -13.855 9.954 1.00 0.00 O ATOM 0 H GLU A 16 -5.403 -16.381 6.271 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.518 -13.610 6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.247 -15.575 7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.417 -15.878 8.765 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.702 -13.265 9.150 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.939 -13.388 7.914 1.00 0.00 H new ATOM 235 N GLU A 17 -3.363 -15.364 8.592 1.00 0.00 N ATOM 236 CA GLU A 17 -2.308 -15.283 9.639 1.00 0.00 C ATOM 237 C GLU A 17 -1.210 -14.321 9.180 1.00 0.00 C ATOM 238 O GLU A 17 -0.526 -13.716 9.982 1.00 0.00 O ATOM 239 CB GLU A 17 -1.707 -16.671 9.864 1.00 0.00 C ATOM 240 CG GLU A 17 -1.153 -17.208 8.542 1.00 0.00 C ATOM 241 CD GLU A 17 -0.378 -18.501 8.800 1.00 0.00 C ATOM 242 OE1 GLU A 17 0.283 -18.577 9.823 1.00 0.00 O ATOM 243 OE2 GLU A 17 -0.457 -19.392 7.971 1.00 0.00 O ATOM 0 H GLU A 17 -3.300 -16.173 7.974 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.745 -14.921 10.570 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.913 -16.619 10.609 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.466 -17.349 10.254 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.968 -17.394 7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.500 -16.466 8.081 1.00 0.00 H new ATOM 250 N MET A 18 -1.038 -14.174 7.896 1.00 0.00 N ATOM 251 CA MET A 18 0.013 -13.251 7.386 1.00 0.00 C ATOM 252 C MET A 18 -0.474 -11.806 7.507 1.00 0.00 C ATOM 253 O MET A 18 0.164 -10.976 8.124 1.00 0.00 O ATOM 254 CB MET A 18 0.304 -13.570 5.919 1.00 0.00 C ATOM 255 CG MET A 18 1.738 -13.154 5.579 1.00 0.00 C ATOM 256 SD MET A 18 2.831 -14.590 5.713 1.00 0.00 S ATOM 257 CE MET A 18 3.999 -14.111 4.416 1.00 0.00 C ATOM 0 H MET A 18 -1.580 -14.654 7.178 1.00 0.00 H new ATOM 0 HA MET A 18 0.923 -13.378 7.973 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.170 -14.636 5.734 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.401 -13.044 5.275 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.780 -12.745 4.570 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.070 -12.367 6.256 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.775 -14.871 4.326 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.471 -14.017 3.467 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.456 -13.155 4.673 1.00 0.00 H new ATOM 267 N ILE A 19 -1.601 -11.499 6.924 1.00 0.00 N ATOM 268 CA ILE A 19 -2.127 -10.107 7.008 1.00 0.00 C ATOM 269 C ILE A 19 -2.304 -9.723 8.475 1.00 0.00 C ATOM 270 O ILE A 19 -1.923 -8.650 8.898 1.00 0.00 O ATOM 271 CB ILE A 19 -3.476 -10.025 6.293 1.00 0.00 C ATOM 272 CG1 ILE A 19 -3.361 -10.668 4.909 1.00 0.00 C ATOM 273 CG2 ILE A 19 -3.884 -8.558 6.141 1.00 0.00 C ATOM 274 CD1 ILE A 19 -4.499 -11.673 4.717 1.00 0.00 C ATOM 0 H ILE A 19 -2.179 -12.151 6.394 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.425 -9.423 6.532 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.229 -10.554 6.877 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.404 -9.901 4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.398 -11.169 4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.846 -8.499 5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.967 -8.099 7.126 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.131 -8.029 5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.417 -12.131 3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.435 -12.446 5.483 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.456 -11.159 4.800 1.00 0.00 H new ATOM 286 N ALA A 20 -2.879 -10.593 9.255 1.00 0.00 N ATOM 287 CA ALA A 20 -3.080 -10.283 10.696 1.00 0.00 C ATOM 288 C ALA A 20 -1.729 -9.968 11.342 1.00 0.00 C ATOM 289 O ALA A 20 -1.626 -9.120 12.206 1.00 0.00 O ATOM 290 CB ALA A 20 -3.709 -11.490 11.390 1.00 0.00 C ATOM 0 H ALA A 20 -3.219 -11.507 8.956 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.739 -9.421 10.796 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.858 -11.266 12.446 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.670 -11.715 10.928 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.049 -12.351 11.291 1.00 0.00 H new ATOM 296 N GLU A 21 -0.691 -10.643 10.927 1.00 0.00 N ATOM 297 CA GLU A 21 0.651 -10.380 11.517 1.00 0.00 C ATOM 298 C GLU A 21 1.226 -9.094 10.920 1.00 0.00 C ATOM 299 O GLU A 21 2.089 -8.461 11.496 1.00 0.00 O ATOM 300 CB GLU A 21 1.586 -11.551 11.202 1.00 0.00 C ATOM 301 CG GLU A 21 2.235 -12.049 12.496 1.00 0.00 C ATOM 302 CD GLU A 21 3.674 -12.483 12.211 1.00 0.00 C ATOM 303 OE1 GLU A 21 3.852 -13.403 11.429 1.00 0.00 O ATOM 304 OE2 GLU A 21 4.576 -11.887 12.778 1.00 0.00 O ATOM 0 H GLU A 21 -0.715 -11.364 10.206 1.00 0.00 H new ATOM 0 HA GLU A 21 0.558 -10.270 12.597 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.028 -12.359 10.728 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.354 -11.237 10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.224 -11.260 13.248 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.666 -12.885 12.903 1.00 0.00 H new ATOM 311 N PHE A 22 0.755 -8.702 9.768 1.00 0.00 N ATOM 312 CA PHE A 22 1.274 -7.458 9.134 1.00 0.00 C ATOM 313 C PHE A 22 0.553 -6.244 9.725 1.00 0.00 C ATOM 314 O PHE A 22 0.948 -5.115 9.520 1.00 0.00 O ATOM 315 CB PHE A 22 1.025 -7.513 7.625 1.00 0.00 C ATOM 316 CG PHE A 22 2.343 -7.669 6.906 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.358 -6.722 7.089 1.00 0.00 C ATOM 318 CD2 PHE A 22 2.552 -8.764 6.057 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.580 -6.868 6.424 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.775 -8.910 5.392 1.00 0.00 C ATOM 321 CZ PHE A 22 4.789 -7.963 5.575 1.00 0.00 C ATOM 0 H PHE A 22 0.033 -9.190 9.238 1.00 0.00 H new ATOM 0 HA PHE A 22 2.344 -7.373 9.324 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.366 -8.347 7.384 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.523 -6.604 7.294 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.197 -5.878 7.744 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.770 -9.495 5.916 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.362 -6.137 6.565 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.936 -9.754 4.737 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.733 -8.076 5.062 1.00 0.00 H new ATOM 331 N LYS A 23 -0.504 -6.469 10.457 1.00 0.00 N ATOM 332 CA LYS A 23 -1.249 -5.329 11.060 1.00 0.00 C ATOM 333 C LYS A 23 -0.342 -4.592 12.047 1.00 0.00 C ATOM 334 O LYS A 23 -0.618 -3.477 12.444 1.00 0.00 O ATOM 335 CB LYS A 23 -2.483 -5.858 11.795 1.00 0.00 C ATOM 336 CG LYS A 23 -3.631 -4.855 11.653 1.00 0.00 C ATOM 337 CD LYS A 23 -4.069 -4.380 13.041 1.00 0.00 C ATOM 338 CE LYS A 23 -4.686 -5.549 13.811 1.00 0.00 C ATOM 339 NZ LYS A 23 -3.783 -5.936 14.932 1.00 0.00 N ATOM 0 H LYS A 23 -0.883 -7.393 10.663 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.562 -4.642 10.274 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.777 -6.824 11.385 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.252 -6.016 12.848 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.313 -4.005 11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.470 -5.318 11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.214 -3.982 13.587 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.792 -3.570 12.948 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.665 -5.267 14.199 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.840 -6.397 13.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.352 -6.257 15.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.156 -6.706 14.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.210 -5.116 15.215 1.00 0.00 H new ATOM 353 N ALA A 24 0.739 -5.204 12.448 1.00 0.00 N ATOM 354 CA ALA A 24 1.660 -4.536 13.411 1.00 0.00 C ATOM 355 C ALA A 24 2.632 -3.633 12.647 1.00 0.00 C ATOM 356 O ALA A 24 2.889 -2.513 13.039 1.00 0.00 O ATOM 357 CB ALA A 24 2.447 -5.595 14.184 1.00 0.00 C ATOM 0 H ALA A 24 1.024 -6.137 12.151 1.00 0.00 H new ATOM 0 HA ALA A 24 1.079 -3.934 14.110 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.120 -5.106 14.888 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.755 -6.236 14.730 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.028 -6.198 13.486 1.00 0.00 H new ATOM 363 N ALA A 25 3.172 -4.112 11.559 1.00 0.00 N ATOM 364 CA ALA A 25 4.125 -3.278 10.774 1.00 0.00 C ATOM 365 C ALA A 25 3.342 -2.338 9.855 1.00 0.00 C ATOM 366 O ALA A 25 3.904 -1.668 9.013 1.00 0.00 O ATOM 367 CB ALA A 25 5.022 -4.186 9.929 1.00 0.00 C ATOM 0 H ALA A 25 2.995 -5.043 11.181 1.00 0.00 H new ATOM 0 HA ALA A 25 4.741 -2.691 11.456 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.719 -3.576 9.355 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.580 -4.857 10.583 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.407 -4.773 9.247 1.00 0.00 H new ATOM 373 N PHE A 26 2.047 -2.281 10.012 1.00 0.00 N ATOM 374 CA PHE A 26 1.232 -1.382 9.148 1.00 0.00 C ATOM 375 C PHE A 26 1.215 0.023 9.753 1.00 0.00 C ATOM 376 O PHE A 26 1.390 1.007 9.063 1.00 0.00 O ATOM 377 CB PHE A 26 -0.199 -1.918 9.062 1.00 0.00 C ATOM 378 CG PHE A 26 -1.013 -1.041 8.140 1.00 0.00 C ATOM 379 CD1 PHE A 26 -0.634 -0.895 6.800 1.00 0.00 C ATOM 380 CD2 PHE A 26 -2.144 -0.376 8.625 1.00 0.00 C ATOM 381 CE1 PHE A 26 -1.388 -0.082 5.945 1.00 0.00 C ATOM 382 CE2 PHE A 26 -2.898 0.437 7.770 1.00 0.00 C ATOM 383 CZ PHE A 26 -2.520 0.584 6.430 1.00 0.00 C ATOM 0 H PHE A 26 1.519 -2.818 10.701 1.00 0.00 H new ATOM 0 HA PHE A 26 1.666 -1.344 8.149 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.193 -2.944 8.693 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.651 -1.939 10.054 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.239 -1.409 6.426 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.436 -0.490 9.659 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.096 0.031 4.911 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.771 0.951 8.144 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.102 1.211 5.770 1.00 0.00 H new ATOM 393 N ASP A 27 1.009 0.123 11.038 1.00 0.00 N ATOM 394 CA ASP A 27 0.983 1.463 11.689 1.00 0.00 C ATOM 395 C ASP A 27 2.361 2.116 11.565 1.00 0.00 C ATOM 396 O ASP A 27 2.492 3.323 11.619 1.00 0.00 O ATOM 397 CB ASP A 27 0.624 1.306 13.167 1.00 0.00 C ATOM 398 CG ASP A 27 -0.541 0.326 13.308 1.00 0.00 C ATOM 399 OD1 ASP A 27 -0.284 -0.863 13.396 1.00 0.00 O ATOM 400 OD2 ASP A 27 -1.673 0.782 13.326 1.00 0.00 O ATOM 0 H ASP A 27 0.857 -0.667 11.666 1.00 0.00 H new ATOM 0 HA ASP A 27 0.238 2.090 11.200 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.487 0.944 13.725 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.353 2.273 13.591 1.00 0.00 H new ATOM 405 N MET A 28 3.391 1.330 11.398 1.00 0.00 N ATOM 406 CA MET A 28 4.757 1.911 11.271 1.00 0.00 C ATOM 407 C MET A 28 4.706 3.115 10.330 1.00 0.00 C ATOM 408 O MET A 28 5.446 4.068 10.483 1.00 0.00 O ATOM 409 CB MET A 28 5.710 0.857 10.701 1.00 0.00 C ATOM 410 CG MET A 28 6.548 0.260 11.833 1.00 0.00 C ATOM 411 SD MET A 28 7.266 -1.310 11.291 1.00 0.00 S ATOM 412 CE MET A 28 9.001 -0.872 11.566 1.00 0.00 C ATOM 0 H MET A 28 3.345 0.312 11.344 1.00 0.00 H new ATOM 0 HA MET A 28 5.113 2.227 12.252 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.143 0.072 10.201 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.361 1.307 9.951 1.00 0.00 H new ATOM 0 HG2 MET A 28 7.338 0.954 12.119 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.927 0.103 12.715 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.637 -1.714 11.291 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.259 -0.008 10.954 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.153 -0.631 12.618 1.00 0.00 H new ATOM 422 N PHE A 29 3.831 3.084 9.364 1.00 0.00 N ATOM 423 CA PHE A 29 3.724 4.229 8.418 1.00 0.00 C ATOM 424 C PHE A 29 2.802 5.289 9.019 1.00 0.00 C ATOM 425 O PHE A 29 3.072 6.472 8.953 1.00 0.00 O ATOM 426 CB PHE A 29 3.142 3.742 7.089 1.00 0.00 C ATOM 427 CG PHE A 29 3.967 2.590 6.569 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.287 2.805 6.156 1.00 0.00 C ATOM 429 CD2 PHE A 29 3.412 1.307 6.495 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.053 1.738 5.671 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.177 0.239 6.011 1.00 0.00 C ATOM 432 CZ PHE A 29 5.497 0.455 5.599 1.00 0.00 C ATOM 0 H PHE A 29 3.185 2.314 9.189 1.00 0.00 H new ATOM 0 HA PHE A 29 4.712 4.655 8.244 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.107 3.429 7.226 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.135 4.555 6.363 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.715 3.795 6.211 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.393 1.141 6.812 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.072 1.904 5.353 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.749 -0.751 5.956 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.087 -0.369 5.225 1.00 0.00 H new ATOM 442 N ASP A 30 1.717 4.872 9.613 1.00 0.00 N ATOM 443 CA ASP A 30 0.779 5.853 10.226 1.00 0.00 C ATOM 444 C ASP A 30 1.529 6.690 11.261 1.00 0.00 C ATOM 445 O ASP A 30 2.594 6.323 11.717 1.00 0.00 O ATOM 446 CB ASP A 30 -0.367 5.103 10.910 1.00 0.00 C ATOM 447 CG ASP A 30 -1.162 6.071 11.788 1.00 0.00 C ATOM 448 OD1 ASP A 30 -1.991 6.785 11.248 1.00 0.00 O ATOM 449 OD2 ASP A 30 -0.926 6.084 12.985 1.00 0.00 O ATOM 0 H ASP A 30 1.440 3.894 9.700 1.00 0.00 H new ATOM 0 HA ASP A 30 0.375 6.505 9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.020 4.655 10.161 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.029 4.288 11.516 1.00 0.00 H new ATOM 454 N ALA A 31 0.985 7.814 11.637 1.00 0.00 N ATOM 455 CA ALA A 31 1.670 8.672 12.644 1.00 0.00 C ATOM 456 C ALA A 31 0.645 9.184 13.657 1.00 0.00 C ATOM 457 O ALA A 31 0.644 8.791 14.806 1.00 0.00 O ATOM 458 CB ALA A 31 2.330 9.858 11.939 1.00 0.00 C ATOM 0 H ALA A 31 0.096 8.175 11.291 1.00 0.00 H new ATOM 0 HA ALA A 31 2.432 8.089 13.162 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.831 10.486 12.675 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.060 9.492 11.217 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.570 10.443 11.421 1.00 0.00 H new ATOM 464 N ASP A 32 -0.231 10.058 13.241 1.00 0.00 N ATOM 465 CA ASP A 32 -1.254 10.589 14.184 1.00 0.00 C ATOM 466 C ASP A 32 -1.868 9.432 14.975 1.00 0.00 C ATOM 467 O ASP A 32 -1.855 9.422 16.190 1.00 0.00 O ATOM 468 CB ASP A 32 -2.351 11.307 13.395 1.00 0.00 C ATOM 469 CG ASP A 32 -2.756 12.585 14.131 1.00 0.00 C ATOM 470 OD1 ASP A 32 -1.870 13.312 14.547 1.00 0.00 O ATOM 471 OD2 ASP A 32 -3.948 12.816 14.267 1.00 0.00 O ATOM 0 H ASP A 32 -0.282 10.426 12.291 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.784 11.291 14.873 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.994 11.549 12.394 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.215 10.654 13.276 1.00 0.00 H new ATOM 476 N GLY A 33 -2.404 8.455 14.296 1.00 0.00 N ATOM 477 CA GLY A 33 -3.016 7.299 15.011 1.00 0.00 C ATOM 478 C GLY A 33 -4.340 6.927 14.343 1.00 0.00 C ATOM 479 O GLY A 33 -5.403 7.134 14.893 1.00 0.00 O ATOM 0 H GLY A 33 -2.445 8.407 13.278 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.336 6.447 14.995 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.184 7.553 16.058 1.00 0.00 H new ATOM 483 N GLY A 34 -4.285 6.380 13.161 1.00 0.00 N ATOM 484 CA GLY A 34 -5.542 5.995 12.459 1.00 0.00 C ATOM 485 C GLY A 34 -5.330 4.675 11.718 1.00 0.00 C ATOM 486 O GLY A 34 -5.797 3.633 12.136 1.00 0.00 O ATOM 0 H GLY A 34 -3.424 6.183 12.650 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.356 5.894 13.177 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.832 6.776 11.756 1.00 0.00 H new ATOM 490 N GLY A 35 -4.631 4.710 10.618 1.00 0.00 N ATOM 491 CA GLY A 35 -4.389 3.458 9.847 1.00 0.00 C ATOM 492 C GLY A 35 -4.367 3.779 8.353 1.00 0.00 C ATOM 493 O GLY A 35 -5.135 3.241 7.579 1.00 0.00 O ATOM 0 H GLY A 35 -4.216 5.552 10.219 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.442 3.010 10.148 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.170 2.729 10.062 1.00 0.00 H new ATOM 497 N ASP A 36 -3.492 4.654 7.941 1.00 0.00 N ATOM 498 CA ASP A 36 -3.417 5.014 6.498 1.00 0.00 C ATOM 499 C ASP A 36 -2.307 6.046 6.295 1.00 0.00 C ATOM 500 O ASP A 36 -1.766 6.582 7.243 1.00 0.00 O ATOM 501 CB ASP A 36 -4.754 5.602 6.046 1.00 0.00 C ATOM 502 CG ASP A 36 -5.163 6.728 6.996 1.00 0.00 C ATOM 503 OD1 ASP A 36 -4.286 7.454 7.434 1.00 0.00 O ATOM 504 OD2 ASP A 36 -6.346 6.846 7.269 1.00 0.00 O ATOM 0 H ASP A 36 -2.824 5.136 8.543 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.200 4.123 5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.670 5.983 5.028 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.519 4.826 6.034 1.00 0.00 H new ATOM 509 N ILE A 37 -1.959 6.330 5.070 1.00 0.00 N ATOM 510 CA ILE A 37 -0.880 7.326 4.820 1.00 0.00 C ATOM 511 C ILE A 37 -1.327 8.305 3.735 1.00 0.00 C ATOM 512 O ILE A 37 -2.005 7.941 2.795 1.00 0.00 O ATOM 513 CB ILE A 37 0.397 6.611 4.360 1.00 0.00 C ATOM 514 CG1 ILE A 37 0.039 5.279 3.687 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.299 6.350 5.569 1.00 0.00 C ATOM 516 CD1 ILE A 37 -0.350 4.246 4.748 1.00 0.00 C ATOM 0 H ILE A 37 -2.374 5.917 4.234 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.678 7.868 5.744 1.00 0.00 H new ATOM 0 HB ILE A 37 0.922 7.242 3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.786 5.424 2.989 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.887 4.915 3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.207 5.842 5.243 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.562 7.298 6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.771 5.724 6.288 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.603 3.303 4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.487 4.091 5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.212 4.608 5.309 1.00 0.00 H new ATOM 528 N SER A 38 -0.948 9.548 3.857 1.00 0.00 N ATOM 529 CA SER A 38 -1.343 10.555 2.835 1.00 0.00 C ATOM 530 C SER A 38 -0.101 11.005 2.066 1.00 0.00 C ATOM 531 O SER A 38 1.008 10.898 2.547 1.00 0.00 O ATOM 532 CB SER A 38 -1.981 11.762 3.526 1.00 0.00 C ATOM 533 OG SER A 38 -2.021 11.533 4.928 1.00 0.00 O ATOM 0 H SER A 38 -0.380 9.909 4.623 1.00 0.00 H new ATOM 0 HA SER A 38 -2.061 10.113 2.145 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.409 12.664 3.309 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.989 11.924 3.143 1.00 0.00 H new ATOM 0 HG SER A 38 -2.428 12.305 5.374 1.00 0.00 H new ATOM 539 N THR A 39 -0.273 11.509 0.876 1.00 0.00 N ATOM 540 CA THR A 39 0.904 11.964 0.084 1.00 0.00 C ATOM 541 C THR A 39 1.785 12.869 0.949 1.00 0.00 C ATOM 542 O THR A 39 2.958 13.044 0.683 1.00 0.00 O ATOM 543 CB THR A 39 0.423 12.742 -1.143 1.00 0.00 C ATOM 544 OG1 THR A 39 -0.195 13.950 -0.723 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.583 11.894 -1.923 1.00 0.00 C ATOM 0 H THR A 39 -1.177 11.626 0.418 1.00 0.00 H new ATOM 0 HA THR A 39 1.481 11.097 -0.238 1.00 0.00 H new ATOM 0 HB THR A 39 1.273 12.974 -1.785 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.502 14.450 -1.508 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.926 12.448 -2.797 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.106 10.968 -2.244 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.435 11.661 -1.284 1.00 0.00 H new ATOM 553 N LYS A 40 1.232 13.449 1.979 1.00 0.00 N ATOM 554 CA LYS A 40 2.041 14.344 2.853 1.00 0.00 C ATOM 555 C LYS A 40 3.304 13.613 3.316 1.00 0.00 C ATOM 556 O LYS A 40 4.358 13.744 2.728 1.00 0.00 O ATOM 557 CB LYS A 40 1.212 14.754 4.072 1.00 0.00 C ATOM 558 CG LYS A 40 2.079 15.577 5.027 1.00 0.00 C ATOM 559 CD LYS A 40 1.302 16.812 5.487 1.00 0.00 C ATOM 560 CE LYS A 40 2.135 17.588 6.509 1.00 0.00 C ATOM 561 NZ LYS A 40 2.339 18.984 6.027 1.00 0.00 N ATOM 0 H LYS A 40 0.255 13.342 2.253 1.00 0.00 H new ATOM 0 HA LYS A 40 2.326 15.233 2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.346 15.336 3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.832 13.868 4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.365 14.973 5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.001 15.879 4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.070 17.448 4.633 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.351 16.513 5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.630 17.596 7.475 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.098 17.098 6.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.905 19.512 6.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.838 18.967 5.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.416 19.449 5.908 1.00 0.00 H new ATOM 575 N GLU A 41 3.205 12.844 4.368 1.00 0.00 N ATOM 576 CA GLU A 41 4.402 12.108 4.869 1.00 0.00 C ATOM 577 C GLU A 41 4.797 11.031 3.858 1.00 0.00 C ATOM 578 O GLU A 41 5.962 10.742 3.668 1.00 0.00 O ATOM 579 CB GLU A 41 4.073 11.449 6.211 1.00 0.00 C ATOM 580 CG GLU A 41 4.916 12.091 7.314 1.00 0.00 C ATOM 581 CD GLU A 41 4.083 12.207 8.592 1.00 0.00 C ATOM 582 OE1 GLU A 41 3.191 13.040 8.621 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.351 11.461 9.520 1.00 0.00 O ATOM 0 H GLU A 41 2.348 12.694 4.901 1.00 0.00 H new ATOM 0 HA GLU A 41 5.228 12.807 5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.013 11.565 6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.273 10.379 6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.807 11.491 7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.256 13.077 6.999 1.00 0.00 H new ATOM 590 N LEU A 42 3.834 10.439 3.207 1.00 0.00 N ATOM 591 CA LEU A 42 4.141 9.382 2.202 1.00 0.00 C ATOM 592 C LEU A 42 5.342 9.817 1.360 1.00 0.00 C ATOM 593 O LEU A 42 6.152 9.011 0.951 1.00 0.00 O ATOM 594 CB LEU A 42 2.911 9.180 1.303 1.00 0.00 C ATOM 595 CG LEU A 42 3.269 8.360 0.053 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.948 9.258 -0.983 1.00 0.00 C ATOM 597 CD2 LEU A 42 4.207 7.207 0.427 1.00 0.00 C ATOM 0 H LEU A 42 2.842 10.643 3.329 1.00 0.00 H new ATOM 0 HA LEU A 42 4.382 8.445 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.127 8.671 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.512 10.149 1.004 1.00 0.00 H new ATOM 0 HG LEU A 42 2.352 7.950 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.199 8.670 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.271 10.065 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.859 9.680 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.453 6.634 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.121 7.609 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.714 6.557 1.150 1.00 0.00 H new ATOM 609 N GLY A 43 5.464 11.090 1.099 1.00 0.00 N ATOM 610 CA GLY A 43 6.611 11.580 0.283 1.00 0.00 C ATOM 611 C GLY A 43 7.930 11.095 0.892 1.00 0.00 C ATOM 612 O GLY A 43 8.711 10.424 0.248 1.00 0.00 O ATOM 0 H GLY A 43 4.818 11.813 1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.520 11.220 -0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.599 12.669 0.240 1.00 0.00 H new ATOM 616 N THR A 44 8.187 11.434 2.126 1.00 0.00 N ATOM 617 CA THR A 44 9.459 10.997 2.769 1.00 0.00 C ATOM 618 C THR A 44 9.481 9.472 2.896 1.00 0.00 C ATOM 619 O THR A 44 10.515 8.875 3.124 1.00 0.00 O ATOM 620 CB THR A 44 9.567 11.623 4.161 1.00 0.00 C ATOM 621 OG1 THR A 44 10.724 11.119 4.815 1.00 0.00 O ATOM 622 CG2 THR A 44 8.324 11.272 4.979 1.00 0.00 C ATOM 0 H THR A 44 7.572 11.994 2.716 1.00 0.00 H new ATOM 0 HA THR A 44 10.300 11.319 2.155 1.00 0.00 H new ATOM 0 HB THR A 44 9.643 12.706 4.068 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.055 10.332 4.334 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.403 11.719 5.970 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.437 11.658 4.477 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.245 10.189 5.074 1.00 0.00 H new ATOM 630 N VAL A 45 8.353 8.832 2.749 1.00 0.00 N ATOM 631 CA VAL A 45 8.321 7.347 2.862 1.00 0.00 C ATOM 632 C VAL A 45 8.944 6.734 1.607 1.00 0.00 C ATOM 633 O VAL A 45 9.948 6.054 1.671 1.00 0.00 O ATOM 634 CB VAL A 45 6.869 6.875 3.009 1.00 0.00 C ATOM 635 CG1 VAL A 45 6.781 5.373 2.726 1.00 0.00 C ATOM 636 CG2 VAL A 45 6.390 7.147 4.437 1.00 0.00 C ATOM 0 H VAL A 45 7.454 9.273 2.556 1.00 0.00 H new ATOM 0 HA VAL A 45 8.888 7.031 3.738 1.00 0.00 H new ATOM 0 HB VAL A 45 6.242 7.414 2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.748 5.043 2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.124 5.173 1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.409 4.832 3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.358 6.813 4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.022 6.607 5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.448 8.216 4.643 1.00 0.00 H new ATOM 646 N MET A 46 8.359 6.970 0.464 1.00 0.00 N ATOM 647 CA MET A 46 8.924 6.401 -0.791 1.00 0.00 C ATOM 648 C MET A 46 10.267 7.069 -1.094 1.00 0.00 C ATOM 649 O MET A 46 11.005 6.641 -1.958 1.00 0.00 O ATOM 650 CB MET A 46 7.957 6.656 -1.950 1.00 0.00 C ATOM 651 CG MET A 46 7.994 5.469 -2.913 1.00 0.00 C ATOM 652 SD MET A 46 6.540 4.428 -2.640 1.00 0.00 S ATOM 653 CE MET A 46 7.205 3.471 -1.257 1.00 0.00 C ATOM 0 H MET A 46 7.516 7.531 0.346 1.00 0.00 H new ATOM 0 HA MET A 46 9.069 5.328 -0.669 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.946 6.798 -1.570 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.233 7.572 -2.473 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.013 5.823 -3.944 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.904 4.889 -2.758 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.629 2.553 -1.139 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.247 3.222 -1.455 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.140 4.060 -0.342 1.00 0.00 H new ATOM 663 N ARG A 47 10.589 8.119 -0.387 1.00 0.00 N ATOM 664 CA ARG A 47 11.883 8.813 -0.635 1.00 0.00 C ATOM 665 C ARG A 47 13.019 8.014 0.006 1.00 0.00 C ATOM 666 O ARG A 47 14.178 8.197 -0.312 1.00 0.00 O ATOM 667 CB ARG A 47 11.835 10.213 -0.022 1.00 0.00 C ATOM 668 CG ARG A 47 12.798 11.133 -0.775 1.00 0.00 C ATOM 669 CD ARG A 47 13.551 12.012 0.224 1.00 0.00 C ATOM 670 NE ARG A 47 13.851 13.331 -0.400 1.00 0.00 N ATOM 671 CZ ARG A 47 14.828 13.440 -1.258 1.00 0.00 C ATOM 672 NH1 ARG A 47 14.682 12.991 -2.475 1.00 0.00 N ATOM 673 NH2 ARG A 47 15.951 14.002 -0.900 1.00 0.00 N ATOM 0 H ARG A 47 10.012 8.525 0.350 1.00 0.00 H new ATOM 0 HA ARG A 47 12.055 8.892 -1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.821 10.610 -0.074 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.107 10.169 1.033 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.503 10.540 -1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.247 11.756 -1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.953 12.152 1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.476 11.523 0.529 1.00 0.00 H new ATOM 0 HE ARG A 47 13.293 14.149 -0.157 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.804 12.555 -2.756 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.446 13.077 -3.145 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.064 14.356 0.050 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.715 14.087 -1.570 1.00 0.00 H new ATOM 687 N MET A 48 12.695 7.128 0.908 1.00 0.00 N ATOM 688 CA MET A 48 13.752 6.314 1.571 1.00 0.00 C ATOM 689 C MET A 48 14.773 5.847 0.530 1.00 0.00 C ATOM 690 O MET A 48 15.945 5.704 0.816 1.00 0.00 O ATOM 691 CB MET A 48 13.111 5.095 2.237 1.00 0.00 C ATOM 692 CG MET A 48 12.187 5.558 3.364 1.00 0.00 C ATOM 693 SD MET A 48 11.063 4.213 3.815 1.00 0.00 S ATOM 694 CE MET A 48 10.734 4.752 5.511 1.00 0.00 C ATOM 0 H MET A 48 11.742 6.933 1.215 1.00 0.00 H new ATOM 0 HA MET A 48 14.256 6.920 2.324 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.547 4.520 1.502 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.883 4.435 2.633 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.776 5.860 4.230 1.00 0.00 H new ATOM 0 HG3 MET A 48 11.617 6.431 3.046 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.048 4.052 5.989 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.669 4.783 6.071 1.00 0.00 H new ATOM 0 HE3 MET A 48 10.286 5.746 5.497 1.00 0.00 H new ATOM 704 N LEU A 49 14.337 5.608 -0.677 1.00 0.00 N ATOM 705 CA LEU A 49 15.292 5.149 -1.731 1.00 0.00 C ATOM 706 C LEU A 49 16.009 6.357 -2.344 1.00 0.00 C ATOM 707 O LEU A 49 17.215 6.478 -2.257 1.00 0.00 O ATOM 708 CB LEU A 49 14.555 4.370 -2.834 1.00 0.00 C ATOM 709 CG LEU A 49 13.104 4.840 -2.960 1.00 0.00 C ATOM 710 CD1 LEU A 49 12.636 4.671 -4.406 1.00 0.00 C ATOM 711 CD2 LEU A 49 12.216 3.999 -2.039 1.00 0.00 C ATOM 0 H LEU A 49 13.368 5.709 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 49 16.023 4.487 -1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.069 4.506 -3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.578 3.304 -2.609 1.00 0.00 H new ATOM 0 HG LEU A 49 13.037 5.890 -2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.603 5.006 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.268 5.266 -5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.703 3.621 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.182 4.332 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.285 2.950 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.548 4.116 -1.007 1.00 0.00 H new ATOM 723 N GLY A 50 15.287 7.254 -2.962 1.00 0.00 N ATOM 724 CA GLY A 50 15.942 8.444 -3.574 1.00 0.00 C ATOM 725 C GLY A 50 15.148 8.878 -4.804 1.00 0.00 C ATOM 726 O GLY A 50 15.473 8.524 -5.921 1.00 0.00 O ATOM 0 H GLY A 50 14.273 7.213 -3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.990 9.259 -2.852 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.968 8.205 -3.854 1.00 0.00 H new ATOM 730 N GLN A 51 14.102 9.632 -4.612 1.00 0.00 N ATOM 731 CA GLN A 51 13.284 10.077 -5.770 1.00 0.00 C ATOM 732 C GLN A 51 12.728 11.452 -5.462 1.00 0.00 C ATOM 733 O GLN A 51 12.313 11.709 -4.349 1.00 0.00 O ATOM 734 CB GLN A 51 12.115 9.114 -5.942 1.00 0.00 C ATOM 735 CG GLN A 51 11.429 9.380 -7.278 1.00 0.00 C ATOM 736 CD GLN A 51 10.850 8.074 -7.827 1.00 0.00 C ATOM 737 OE1 GLN A 51 11.584 7.194 -8.231 1.00 0.00 O ATOM 738 NE2 GLN A 51 9.556 7.911 -7.859 1.00 0.00 N ATOM 0 H GLN A 51 13.779 9.959 -3.701 1.00 0.00 H new ATOM 0 HA GLN A 51 13.891 10.101 -6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.470 8.084 -5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.404 9.238 -5.125 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.635 10.116 -7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.142 9.800 -7.987 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.940 8.650 -7.520 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.160 7.044 -8.223 1.00 0.00 H new ATOM 747 N ASN A 52 12.683 12.355 -6.404 1.00 0.00 N ATOM 748 CA ASN A 52 12.111 13.662 -6.026 1.00 0.00 C ATOM 749 C ASN A 52 10.697 13.373 -5.531 1.00 0.00 C ATOM 750 O ASN A 52 9.927 12.731 -6.218 1.00 0.00 O ATOM 751 CB ASN A 52 12.038 14.575 -7.250 1.00 0.00 C ATOM 752 CG ASN A 52 13.210 15.558 -7.226 1.00 0.00 C ATOM 753 OD1 ASN A 52 14.323 15.190 -6.903 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.005 16.805 -7.556 1.00 0.00 N ATOM 0 H ASN A 52 13.001 12.249 -7.367 1.00 0.00 H new ATOM 0 HA ASN A 52 12.718 14.156 -5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.068 13.980 -8.163 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.094 15.119 -7.255 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.778 17.470 -7.543 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.071 17.114 -7.827 1.00 0.00 H new ATOM 761 N PRO A 53 10.385 13.849 -4.364 1.00 0.00 N ATOM 762 CA PRO A 53 9.065 13.650 -3.775 1.00 0.00 C ATOM 763 C PRO A 53 8.140 14.827 -4.110 1.00 0.00 C ATOM 764 O PRO A 53 7.586 15.461 -3.235 1.00 0.00 O ATOM 765 CB PRO A 53 9.380 13.605 -2.280 1.00 0.00 C ATOM 766 CG PRO A 53 10.718 14.369 -2.090 1.00 0.00 C ATOM 767 CD PRO A 53 11.325 14.563 -3.489 1.00 0.00 C ATOM 0 HA PRO A 53 8.549 12.761 -4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.582 14.070 -1.701 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.468 12.576 -1.933 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.548 15.331 -1.606 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.397 13.806 -1.450 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.399 15.618 -3.753 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.330 14.147 -3.553 1.00 0.00 H new ATOM 775 N THR A 54 7.967 15.120 -5.371 1.00 0.00 N ATOM 776 CA THR A 54 7.075 16.250 -5.759 1.00 0.00 C ATOM 777 C THR A 54 5.667 15.978 -5.238 1.00 0.00 C ATOM 778 O THR A 54 5.258 14.842 -5.100 1.00 0.00 O ATOM 779 CB THR A 54 7.028 16.364 -7.283 1.00 0.00 C ATOM 780 OG1 THR A 54 8.340 16.239 -7.811 1.00 0.00 O ATOM 781 CG2 THR A 54 6.440 17.719 -7.681 1.00 0.00 C ATOM 0 H THR A 54 8.405 14.626 -6.149 1.00 0.00 H new ATOM 0 HA THR A 54 7.458 17.178 -5.334 1.00 0.00 H new ATOM 0 HB THR A 54 6.400 15.568 -7.684 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.308 16.311 -8.788 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.408 17.797 -8.768 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.430 17.809 -7.281 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.062 18.518 -7.278 1.00 0.00 H new ATOM 789 N LYS A 55 4.912 17.003 -4.957 1.00 0.00 N ATOM 790 CA LYS A 55 3.530 16.775 -4.460 1.00 0.00 C ATOM 791 C LYS A 55 2.763 15.973 -5.506 1.00 0.00 C ATOM 792 O LYS A 55 1.830 15.259 -5.198 1.00 0.00 O ATOM 793 CB LYS A 55 2.828 18.112 -4.233 1.00 0.00 C ATOM 794 CG LYS A 55 1.487 17.865 -3.538 1.00 0.00 C ATOM 795 CD LYS A 55 0.346 18.305 -4.455 1.00 0.00 C ATOM 796 CE LYS A 55 -0.994 17.940 -3.812 1.00 0.00 C ATOM 797 NZ LYS A 55 -2.082 18.746 -4.435 1.00 0.00 N ATOM 0 H LYS A 55 5.190 17.980 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 55 3.566 16.230 -3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.452 18.765 -3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.670 18.619 -5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.383 16.808 -3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.446 18.417 -2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.398 19.380 -4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.439 17.821 -5.427 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.194 16.877 -3.943 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.957 18.127 -2.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.992 18.497 -3.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.892 19.758 -4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.122 18.546 -5.455 1.00 0.00 H new ATOM 811 N GLU A 56 3.159 16.082 -6.742 1.00 0.00 N ATOM 812 CA GLU A 56 2.465 15.321 -7.814 1.00 0.00 C ATOM 813 C GLU A 56 3.137 13.956 -7.957 1.00 0.00 C ATOM 814 O GLU A 56 2.554 13.008 -8.444 1.00 0.00 O ATOM 815 CB GLU A 56 2.569 16.087 -9.134 1.00 0.00 C ATOM 816 CG GLU A 56 1.227 16.030 -9.864 1.00 0.00 C ATOM 817 CD GLU A 56 1.406 16.525 -11.301 1.00 0.00 C ATOM 818 OE1 GLU A 56 2.298 17.326 -11.524 1.00 0.00 O ATOM 819 OE2 GLU A 56 0.645 16.095 -12.153 1.00 0.00 O ATOM 0 H GLU A 56 3.934 16.666 -7.056 1.00 0.00 H new ATOM 0 HA GLU A 56 1.413 15.192 -7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.848 17.123 -8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.352 15.655 -9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.844 15.009 -9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.492 16.645 -9.345 1.00 0.00 H new ATOM 826 N GLU A 57 4.365 13.857 -7.529 1.00 0.00 N ATOM 827 CA GLU A 57 5.092 12.562 -7.628 1.00 0.00 C ATOM 828 C GLU A 57 4.434 11.534 -6.703 1.00 0.00 C ATOM 829 O GLU A 57 4.284 10.379 -7.050 1.00 0.00 O ATOM 830 CB GLU A 57 6.550 12.767 -7.209 1.00 0.00 C ATOM 831 CG GLU A 57 7.403 11.618 -7.749 1.00 0.00 C ATOM 832 CD GLU A 57 7.770 11.896 -9.208 1.00 0.00 C ATOM 833 OE1 GLU A 57 7.177 12.792 -9.787 1.00 0.00 O ATOM 834 OE2 GLU A 57 8.637 11.207 -9.723 1.00 0.00 O ATOM 0 H GLU A 57 4.898 14.621 -7.113 1.00 0.00 H new ATOM 0 HA GLU A 57 5.055 12.200 -8.655 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.919 13.719 -7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.625 12.810 -6.122 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.307 11.510 -7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.856 10.678 -7.673 1.00 0.00 H new ATOM 841 N LEU A 58 4.035 11.945 -5.528 1.00 0.00 N ATOM 842 CA LEU A 58 3.385 10.990 -4.586 1.00 0.00 C ATOM 843 C LEU A 58 1.924 10.791 -4.994 1.00 0.00 C ATOM 844 O LEU A 58 1.211 9.998 -4.413 1.00 0.00 O ATOM 845 CB LEU A 58 3.447 11.549 -3.161 1.00 0.00 C ATOM 846 CG LEU A 58 4.907 11.680 -2.711 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.704 10.447 -3.148 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.521 12.932 -3.341 1.00 0.00 C ATOM 0 H LEU A 58 4.131 12.899 -5.181 1.00 0.00 H new ATOM 0 HA LEU A 58 3.907 10.034 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.957 12.522 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.906 10.892 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 58 4.941 11.759 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.740 10.549 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.269 9.555 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.671 10.358 -4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.559 13.028 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.481 12.850 -4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.961 13.811 -3.022 1.00 0.00 H new ATOM 860 N ASP A 59 1.471 11.503 -5.991 1.00 0.00 N ATOM 861 CA ASP A 59 0.056 11.352 -6.435 1.00 0.00 C ATOM 862 C ASP A 59 -0.032 10.252 -7.496 1.00 0.00 C ATOM 863 O ASP A 59 -1.018 9.547 -7.591 1.00 0.00 O ATOM 864 CB ASP A 59 -0.430 12.675 -7.030 1.00 0.00 C ATOM 865 CG ASP A 59 -0.449 13.750 -5.943 1.00 0.00 C ATOM 866 OD1 ASP A 59 -0.258 13.401 -4.790 1.00 0.00 O ATOM 867 OD2 ASP A 59 -0.652 14.903 -6.283 1.00 0.00 O ATOM 0 H ASP A 59 2.020 12.183 -6.517 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.568 11.083 -5.583 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.225 12.980 -7.846 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.428 12.551 -7.451 1.00 0.00 H new ATOM 872 N ALA A 60 0.990 10.097 -8.292 1.00 0.00 N ATOM 873 CA ALA A 60 0.964 9.043 -9.346 1.00 0.00 C ATOM 874 C ALA A 60 0.761 7.675 -8.694 1.00 0.00 C ATOM 875 O ALA A 60 -0.003 6.858 -9.167 1.00 0.00 O ATOM 876 CB ALA A 60 2.292 9.053 -10.105 1.00 0.00 C ATOM 0 H ALA A 60 1.843 10.655 -8.258 1.00 0.00 H new ATOM 0 HA ALA A 60 0.146 9.240 -10.039 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.276 8.283 -10.876 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.439 10.028 -10.569 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.109 8.854 -9.411 1.00 0.00 H new ATOM 882 N ILE A 61 1.436 7.421 -7.608 1.00 0.00 N ATOM 883 CA ILE A 61 1.278 6.107 -6.921 1.00 0.00 C ATOM 884 C ILE A 61 -0.089 6.063 -6.244 1.00 0.00 C ATOM 885 O ILE A 61 -0.651 5.010 -6.018 1.00 0.00 O ATOM 886 CB ILE A 61 2.369 5.946 -5.861 1.00 0.00 C ATOM 887 CG1 ILE A 61 3.635 6.671 -6.309 1.00 0.00 C ATOM 888 CG2 ILE A 61 2.684 4.468 -5.658 1.00 0.00 C ATOM 889 CD1 ILE A 61 3.781 7.949 -5.494 1.00 0.00 C ATOM 0 H ILE A 61 2.091 8.066 -7.166 1.00 0.00 H new ATOM 0 HA ILE A 61 1.361 5.301 -7.650 1.00 0.00 H new ATOM 0 HB ILE A 61 2.014 6.373 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.506 6.032 -6.168 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.580 6.905 -7.372 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.462 4.362 -4.902 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.785 3.946 -5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.031 4.037 -6.597 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.683 8.477 -5.804 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.912 8.586 -5.658 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.853 7.699 -4.435 1.00 0.00 H new ATOM 901 N ILE A 62 -0.629 7.205 -5.915 1.00 0.00 N ATOM 902 CA ILE A 62 -1.958 7.234 -5.247 1.00 0.00 C ATOM 903 C ILE A 62 -3.039 6.804 -6.240 1.00 0.00 C ATOM 904 O ILE A 62 -4.061 6.264 -5.865 1.00 0.00 O ATOM 905 CB ILE A 62 -2.252 8.653 -4.758 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.357 8.970 -3.559 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.719 8.757 -4.339 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.811 8.149 -2.351 1.00 0.00 C ATOM 0 H ILE A 62 -0.206 8.118 -6.081 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.952 6.550 -4.398 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.054 9.363 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.318 8.742 -3.797 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.405 10.034 -3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.927 9.769 -3.991 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.358 8.528 -5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.919 8.048 -3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.173 8.375 -1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.844 8.399 -2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.740 7.087 -2.586 1.00 0.00 H new ATOM 920 N GLU A 63 -2.823 7.039 -7.505 1.00 0.00 N ATOM 921 CA GLU A 63 -3.838 6.642 -8.521 1.00 0.00 C ATOM 922 C GLU A 63 -3.666 5.161 -8.856 1.00 0.00 C ATOM 923 O GLU A 63 -4.528 4.543 -9.450 1.00 0.00 O ATOM 924 CB GLU A 63 -3.642 7.479 -9.788 1.00 0.00 C ATOM 925 CG GLU A 63 -5.005 7.834 -10.383 1.00 0.00 C ATOM 926 CD GLU A 63 -4.894 9.138 -11.174 1.00 0.00 C ATOM 927 OE1 GLU A 63 -3.855 9.772 -11.091 1.00 0.00 O ATOM 928 OE2 GLU A 63 -5.850 9.481 -11.850 1.00 0.00 O ATOM 0 H GLU A 63 -1.987 7.489 -7.879 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.839 6.811 -8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.088 8.388 -9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.050 6.924 -10.515 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.350 7.030 -11.033 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.744 7.940 -9.589 1.00 0.00 H new ATOM 935 N GLU A 64 -2.555 4.587 -8.484 1.00 0.00 N ATOM 936 CA GLU A 64 -2.319 3.145 -8.783 1.00 0.00 C ATOM 937 C GLU A 64 -2.893 2.275 -7.658 1.00 0.00 C ATOM 938 O GLU A 64 -2.778 1.066 -7.679 1.00 0.00 O ATOM 939 CB GLU A 64 -0.812 2.895 -8.902 1.00 0.00 C ATOM 940 CG GLU A 64 -0.537 1.388 -8.899 1.00 0.00 C ATOM 941 CD GLU A 64 0.908 1.132 -9.332 1.00 0.00 C ATOM 942 OE1 GLU A 64 1.731 2.010 -9.130 1.00 0.00 O ATOM 943 OE2 GLU A 64 1.168 0.061 -9.855 1.00 0.00 O ATOM 0 H GLU A 64 -1.799 5.055 -7.985 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.812 2.886 -9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.431 3.342 -9.820 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.288 3.372 -8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.707 0.978 -7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.226 0.881 -9.575 1.00 0.00 H new ATOM 950 N VAL A 65 -3.511 2.873 -6.675 1.00 0.00 N ATOM 951 CA VAL A 65 -4.084 2.064 -5.562 1.00 0.00 C ATOM 952 C VAL A 65 -5.252 2.816 -4.920 1.00 0.00 C ATOM 953 O VAL A 65 -6.317 2.267 -4.718 1.00 0.00 O ATOM 954 CB VAL A 65 -3.003 1.806 -4.509 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.459 3.140 -3.993 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.603 1.017 -3.343 1.00 0.00 C ATOM 0 H VAL A 65 -3.643 3.881 -6.595 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.443 1.114 -5.958 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.192 1.233 -4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.690 2.954 -3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.030 3.703 -4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.270 3.715 -3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.833 0.833 -2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.415 1.590 -2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.988 0.065 -3.708 1.00 0.00 H new ATOM 966 N ASP A 66 -5.063 4.067 -4.595 1.00 0.00 N ATOM 967 CA ASP A 66 -6.166 4.846 -3.962 1.00 0.00 C ATOM 968 C ASP A 66 -7.285 5.076 -4.981 1.00 0.00 C ATOM 969 O ASP A 66 -7.338 6.093 -5.642 1.00 0.00 O ATOM 970 CB ASP A 66 -5.628 6.195 -3.483 1.00 0.00 C ATOM 971 CG ASP A 66 -6.593 6.792 -2.457 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.218 6.024 -1.744 1.00 0.00 O ATOM 973 OD2 ASP A 66 -6.690 8.006 -2.402 1.00 0.00 O ATOM 0 H ASP A 66 -4.195 4.582 -4.740 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.560 4.288 -3.112 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.641 6.068 -3.039 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.513 6.874 -4.328 1.00 0.00 H new ATOM 978 N GLU A 67 -8.184 4.138 -5.109 1.00 0.00 N ATOM 979 CA GLU A 67 -9.303 4.303 -6.080 1.00 0.00 C ATOM 980 C GLU A 67 -10.419 5.127 -5.434 1.00 0.00 C ATOM 981 O GLU A 67 -11.203 5.765 -6.107 1.00 0.00 O ATOM 982 CB GLU A 67 -9.845 2.927 -6.473 1.00 0.00 C ATOM 983 CG GLU A 67 -10.875 3.082 -7.595 1.00 0.00 C ATOM 984 CD GLU A 67 -10.187 2.909 -8.950 1.00 0.00 C ATOM 985 OE1 GLU A 67 -8.967 2.907 -8.978 1.00 0.00 O ATOM 986 OE2 GLU A 67 -10.891 2.782 -9.938 1.00 0.00 O ATOM 0 H GLU A 67 -8.192 3.264 -4.583 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.940 4.817 -6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.029 2.284 -6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.303 2.445 -5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.667 2.342 -7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.346 4.063 -7.537 1.00 0.00 H new ATOM 993 N ASP A 68 -10.496 5.117 -4.131 1.00 0.00 N ATOM 994 CA ASP A 68 -11.561 5.899 -3.443 1.00 0.00 C ATOM 995 C ASP A 68 -11.478 7.364 -3.878 1.00 0.00 C ATOM 996 O ASP A 68 -12.452 7.951 -4.304 1.00 0.00 O ATOM 997 CB ASP A 68 -11.367 5.804 -1.928 1.00 0.00 C ATOM 998 CG ASP A 68 -12.527 5.019 -1.312 1.00 0.00 C ATOM 999 OD1 ASP A 68 -13.663 5.398 -1.545 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -12.260 4.050 -0.620 1.00 0.00 O ATOM 0 H ASP A 68 -9.868 4.602 -3.514 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.538 5.495 -3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.421 5.312 -1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.319 6.803 -1.494 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.321 7.960 -3.774 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.177 9.386 -4.184 1.00 0.00 C ATOM 1007 C GLY A 69 -10.037 10.265 -2.939 1.00 0.00 C ATOM 1008 O GLY A 69 -10.733 11.248 -2.781 1.00 0.00 O ATOM 0 H GLY A 69 -9.470 7.521 -3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.304 9.504 -4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.044 9.697 -4.766 1.00 0.00 H new ATOM 1012 N SER A 70 -9.142 9.920 -2.054 1.00 0.00 N ATOM 1013 CA SER A 70 -8.960 10.738 -0.821 1.00 0.00 C ATOM 1014 C SER A 70 -7.476 11.063 -0.631 1.00 0.00 C ATOM 1015 O SER A 70 -7.094 11.723 0.314 1.00 0.00 O ATOM 1016 CB SER A 70 -9.466 9.953 0.390 1.00 0.00 C ATOM 1017 OG SER A 70 -10.405 8.978 -0.041 1.00 0.00 O ATOM 0 H SER A 70 -8.529 9.108 -2.131 1.00 0.00 H new ATOM 0 HA SER A 70 -9.524 11.666 -0.918 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.632 9.471 0.900 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.930 10.629 1.108 1.00 0.00 H new ATOM 0 HG SER A 70 -10.730 8.472 0.733 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.638 10.607 -1.521 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.181 10.895 -1.388 1.00 0.00 C ATOM 1025 C GLY A 71 -4.609 10.115 -0.202 1.00 0.00 C ATOM 1026 O GLY A 71 -3.774 10.606 0.530 1.00 0.00 O ATOM 0 H GLY A 71 -6.898 10.048 -2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.660 10.617 -2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.023 11.964 -1.243 1.00 0.00 H new ATOM 1030 N THR A 72 -5.054 8.904 -0.006 1.00 0.00 N ATOM 1031 CA THR A 72 -4.536 8.095 1.136 1.00 0.00 C ATOM 1032 C THR A 72 -4.770 6.614 0.847 1.00 0.00 C ATOM 1033 O THR A 72 -5.239 6.246 -0.211 1.00 0.00 O ATOM 1034 CB THR A 72 -5.264 8.481 2.433 1.00 0.00 C ATOM 1035 OG1 THR A 72 -6.230 7.488 2.752 1.00 0.00 O ATOM 1036 CG2 THR A 72 -5.962 9.829 2.259 1.00 0.00 C ATOM 0 H THR A 72 -5.753 8.439 -0.586 1.00 0.00 H new ATOM 0 HA THR A 72 -3.470 8.288 1.257 1.00 0.00 H new ATOM 0 HB THR A 72 -4.535 8.555 3.240 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.692 7.735 3.580 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.475 10.095 3.183 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.222 10.594 2.022 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.687 9.761 1.448 1.00 0.00 H new ATOM 1044 N ILE A 73 -4.454 5.760 1.779 1.00 0.00 N ATOM 1045 CA ILE A 73 -4.670 4.309 1.544 1.00 0.00 C ATOM 1046 C ILE A 73 -4.706 3.564 2.881 1.00 0.00 C ATOM 1047 O ILE A 73 -3.943 3.848 3.783 1.00 0.00 O ATOM 1048 CB ILE A 73 -3.533 3.753 0.684 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -2.204 4.354 1.147 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -3.768 4.118 -0.782 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.139 3.257 1.200 1.00 0.00 C ATOM 0 H ILE A 73 -4.058 6.003 2.687 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.620 4.170 1.028 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.502 2.668 0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.893 5.145 0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.322 4.809 2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.956 3.720 -1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.714 3.692 -1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.802 5.203 -0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.192 3.685 1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.450 2.481 1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.015 2.822 0.208 1.00 0.00 H new ATOM 1063 N ASP A 74 -5.582 2.605 3.011 1.00 0.00 N ATOM 1064 CA ASP A 74 -5.663 1.835 4.283 1.00 0.00 C ATOM 1065 C ASP A 74 -4.797 0.579 4.163 1.00 0.00 C ATOM 1066 O ASP A 74 -4.019 0.439 3.240 1.00 0.00 O ATOM 1067 CB ASP A 74 -7.117 1.431 4.546 1.00 0.00 C ATOM 1068 CG ASP A 74 -8.028 2.645 4.351 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -7.507 3.721 4.109 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -9.233 2.477 4.449 1.00 0.00 O ATOM 0 H ASP A 74 -6.245 2.322 2.290 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.306 2.451 5.109 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.411 0.630 3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.220 1.045 5.560 1.00 0.00 H new ATOM 1075 N PHE A 75 -4.923 -0.339 5.082 1.00 0.00 N ATOM 1076 CA PHE A 75 -4.101 -1.579 5.001 1.00 0.00 C ATOM 1077 C PHE A 75 -4.771 -2.567 4.036 1.00 0.00 C ATOM 1078 O PHE A 75 -4.220 -3.598 3.706 1.00 0.00 O ATOM 1079 CB PHE A 75 -3.947 -2.186 6.413 1.00 0.00 C ATOM 1080 CG PHE A 75 -4.834 -3.402 6.594 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -6.207 -3.314 6.334 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -4.278 -4.615 7.018 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -7.023 -4.440 6.500 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -5.093 -5.740 7.184 1.00 0.00 C ATOM 1085 CZ PHE A 75 -6.466 -5.653 6.925 1.00 0.00 C ATOM 0 H PHE A 75 -5.555 -0.285 5.880 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.106 -1.350 4.620 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.907 -2.465 6.579 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.199 -1.436 7.162 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.636 -2.379 6.006 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.219 -4.682 7.217 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.082 -4.373 6.300 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.663 -6.675 7.512 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.096 -6.521 7.053 1.00 0.00 H new ATOM 1095 N GLU A 76 -5.957 -2.254 3.579 1.00 0.00 N ATOM 1096 CA GLU A 76 -6.660 -3.170 2.637 1.00 0.00 C ATOM 1097 C GLU A 76 -6.088 -2.983 1.230 1.00 0.00 C ATOM 1098 O GLU A 76 -5.433 -3.855 0.696 1.00 0.00 O ATOM 1099 CB GLU A 76 -8.156 -2.844 2.627 1.00 0.00 C ATOM 1100 CG GLU A 76 -8.906 -3.909 1.824 1.00 0.00 C ATOM 1101 CD GLU A 76 -10.357 -3.987 2.305 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -10.557 -4.151 3.497 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -11.242 -3.880 1.473 1.00 0.00 O ATOM 0 H GLU A 76 -6.467 -1.404 3.819 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.517 -4.202 2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.538 -2.807 3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.321 -1.860 2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.877 -3.666 0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.420 -4.878 1.943 1.00 0.00 H new ATOM 1110 N GLU A 77 -6.328 -1.851 0.624 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.792 -1.612 -0.745 1.00 0.00 C ATOM 1112 C GLU A 77 -4.263 -1.627 -0.696 1.00 0.00 C ATOM 1113 O GLU A 77 -3.607 -2.146 -1.577 1.00 0.00 O ATOM 1114 CB GLU A 77 -6.272 -0.251 -1.255 1.00 0.00 C ATOM 1115 CG GLU A 77 -5.888 0.835 -0.248 1.00 0.00 C ATOM 1116 CD GLU A 77 -6.993 1.892 -0.190 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -8.076 1.564 0.268 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -6.737 3.011 -0.603 1.00 0.00 O ATOM 0 H GLU A 77 -6.871 -1.083 1.018 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.146 -2.394 -1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.825 -0.036 -2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.353 -0.264 -1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.739 0.395 0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.944 1.296 -0.537 1.00 0.00 H new ATOM 1125 N PHE A 78 -3.693 -1.060 0.332 1.00 0.00 N ATOM 1126 CA PHE A 78 -2.208 -1.039 0.448 1.00 0.00 C ATOM 1127 C PHE A 78 -1.678 -2.475 0.463 1.00 0.00 C ATOM 1128 O PHE A 78 -0.516 -2.721 0.208 1.00 0.00 O ATOM 1129 CB PHE A 78 -1.812 -0.336 1.748 1.00 0.00 C ATOM 1130 CG PHE A 78 -0.358 0.067 1.685 1.00 0.00 C ATOM 1131 CD1 PHE A 78 0.129 0.763 0.572 1.00 0.00 C ATOM 1132 CD2 PHE A 78 0.503 -0.253 2.742 1.00 0.00 C ATOM 1133 CE1 PHE A 78 1.476 1.137 0.516 1.00 0.00 C ATOM 1134 CE2 PHE A 78 1.851 0.122 2.684 1.00 0.00 C ATOM 1135 CZ PHE A 78 2.337 0.817 1.571 1.00 0.00 C ATOM 0 H PHE A 78 -4.193 -0.609 1.098 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.782 -0.504 -0.401 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.437 0.544 1.902 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.979 -0.999 2.597 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.535 1.011 -0.243 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.128 -0.789 3.601 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.852 1.673 -0.343 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.516 -0.125 3.499 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.377 1.106 1.527 1.00 0.00 H new ATOM 1145 N LEU A 79 -2.523 -3.422 0.762 1.00 0.00 N ATOM 1146 CA LEU A 79 -2.073 -4.841 0.798 1.00 0.00 C ATOM 1147 C LEU A 79 -1.964 -5.383 -0.629 1.00 0.00 C ATOM 1148 O LEU A 79 -0.978 -5.989 -1.000 1.00 0.00 O ATOM 1149 CB LEU A 79 -3.089 -5.676 1.581 1.00 0.00 C ATOM 1150 CG LEU A 79 -2.541 -7.088 1.787 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.573 -7.092 2.970 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -3.700 -8.048 2.072 1.00 0.00 C ATOM 0 H LEU A 79 -3.508 -3.274 0.983 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.098 -4.899 1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.293 -5.210 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.035 -5.717 1.041 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.016 -7.409 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.182 -8.099 3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.748 -6.409 2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.097 -6.771 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.310 -9.055 2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.225 -7.727 2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.390 -8.046 1.228 1.00 0.00 H new ATOM 1164 N VAL A 80 -2.972 -5.174 -1.431 1.00 0.00 N ATOM 1165 CA VAL A 80 -2.930 -5.678 -2.832 1.00 0.00 C ATOM 1166 C VAL A 80 -1.719 -5.087 -3.559 1.00 0.00 C ATOM 1167 O VAL A 80 -1.171 -5.690 -4.460 1.00 0.00 O ATOM 1168 CB VAL A 80 -4.213 -5.268 -3.557 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -4.382 -3.749 -3.476 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -4.129 -5.696 -5.024 1.00 0.00 C ATOM 0 H VAL A 80 -3.824 -4.675 -1.176 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.847 -6.765 -2.823 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.068 -5.753 -3.086 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.296 -3.457 -3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.443 -3.445 -2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.528 -3.262 -3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.043 -5.404 -5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.274 -5.211 -5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.010 -6.778 -5.081 1.00 0.00 H new ATOM 1180 N MET A 81 -1.298 -3.914 -3.178 1.00 0.00 N ATOM 1181 CA MET A 81 -0.124 -3.291 -3.853 1.00 0.00 C ATOM 1182 C MET A 81 1.162 -3.964 -3.370 1.00 0.00 C ATOM 1183 O MET A 81 2.157 -3.994 -4.066 1.00 0.00 O ATOM 1184 CB MET A 81 -0.073 -1.799 -3.517 1.00 0.00 C ATOM 1185 CG MET A 81 1.049 -1.136 -4.318 1.00 0.00 C ATOM 1186 SD MET A 81 0.896 0.663 -4.198 1.00 0.00 S ATOM 1187 CE MET A 81 1.036 0.784 -2.398 1.00 0.00 C ATOM 0 H MET A 81 -1.715 -3.360 -2.430 1.00 0.00 H new ATOM 0 HA MET A 81 -0.218 -3.419 -4.931 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.028 -1.329 -3.751 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.097 -1.661 -2.449 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.019 -1.455 -3.937 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.998 -1.447 -5.361 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.286 1.808 -2.121 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.087 0.506 -1.940 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.819 0.111 -2.048 1.00 0.00 H new ATOM 1197 N MET A 82 1.151 -4.504 -2.181 1.00 0.00 N ATOM 1198 CA MET A 82 2.374 -5.172 -1.656 1.00 0.00 C ATOM 1199 C MET A 82 2.604 -6.484 -2.408 1.00 0.00 C ATOM 1200 O MET A 82 3.666 -6.727 -2.944 1.00 0.00 O ATOM 1201 CB MET A 82 2.197 -5.462 -0.164 1.00 0.00 C ATOM 1202 CG MET A 82 3.273 -4.720 0.630 1.00 0.00 C ATOM 1203 SD MET A 82 2.491 -3.475 1.688 1.00 0.00 S ATOM 1204 CE MET A 82 3.978 -2.984 2.595 1.00 0.00 C ATOM 0 H MET A 82 0.348 -4.511 -1.552 1.00 0.00 H new ATOM 0 HA MET A 82 3.234 -4.518 -1.799 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.206 -5.147 0.164 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.268 -6.534 0.020 1.00 0.00 H new ATOM 0 HG2 MET A 82 3.842 -5.424 1.238 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.979 -4.243 -0.050 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.724 -2.208 3.318 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.387 -3.848 3.119 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.720 -2.599 1.896 1.00 0.00 H new ATOM 1214 N VAL A 83 1.615 -7.335 -2.453 1.00 0.00 N ATOM 1215 CA VAL A 83 1.781 -8.630 -3.170 1.00 0.00 C ATOM 1216 C VAL A 83 2.182 -8.362 -4.622 1.00 0.00 C ATOM 1217 O VAL A 83 2.915 -9.122 -5.224 1.00 0.00 O ATOM 1218 CB VAL A 83 0.464 -9.405 -3.132 1.00 0.00 C ATOM 1219 CG1 VAL A 83 0.621 -10.719 -3.900 1.00 0.00 C ATOM 1220 CG2 VAL A 83 0.093 -9.706 -1.677 1.00 0.00 C ATOM 0 H VAL A 83 0.701 -7.189 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 83 2.560 -9.219 -2.685 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.323 -8.808 -3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.318 -11.271 -3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.886 -10.506 -4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.407 -11.318 -3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.846 -10.259 -1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.880 -10.303 -1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.020 -8.770 -1.129 1.00 0.00 H new ATOM 1230 N ARG A 84 1.710 -7.286 -5.193 1.00 0.00 N ATOM 1231 CA ARG A 84 2.072 -6.974 -6.605 1.00 0.00 C ATOM 1232 C ARG A 84 3.587 -7.109 -6.780 1.00 0.00 C ATOM 1233 O ARG A 84 4.094 -8.179 -7.052 1.00 0.00 O ATOM 1234 CB ARG A 84 1.641 -5.544 -6.938 1.00 0.00 C ATOM 1235 CG ARG A 84 0.178 -5.541 -7.388 1.00 0.00 C ATOM 1236 CD ARG A 84 -0.072 -4.340 -8.301 1.00 0.00 C ATOM 1237 NE ARG A 84 -0.100 -4.792 -9.720 1.00 0.00 N ATOM 1238 CZ ARG A 84 -0.758 -4.103 -10.612 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -2.033 -3.878 -10.452 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -0.142 -3.643 -11.665 1.00 0.00 N ATOM 0 H ARG A 84 1.091 -6.611 -4.743 1.00 0.00 H new ATOM 0 HA ARG A 84 1.565 -7.668 -7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.765 -4.903 -6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.275 -5.136 -7.725 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.053 -6.467 -7.915 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.480 -5.495 -6.521 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.017 -3.863 -8.041 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.711 -3.594 -8.161 1.00 0.00 H new ATOM 0 HE ARG A 84 0.395 -5.640 -9.995 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.516 -4.241 -9.630 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.547 -3.340 -11.149 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.854 -3.822 -11.792 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.656 -3.105 -12.362 1.00 0.00 H new ATOM 1254 N GLN A 85 4.314 -6.036 -6.623 1.00 0.00 N ATOM 1255 CA GLN A 85 5.795 -6.115 -6.776 1.00 0.00 C ATOM 1256 C GLN A 85 6.408 -6.666 -5.487 1.00 0.00 C ATOM 1257 O GLN A 85 6.876 -5.925 -4.645 1.00 0.00 O ATOM 1258 CB GLN A 85 6.359 -4.720 -7.053 1.00 0.00 C ATOM 1259 CG GLN A 85 6.035 -3.795 -5.878 1.00 0.00 C ATOM 1260 CD GLN A 85 5.695 -2.401 -6.407 1.00 0.00 C ATOM 1261 OE1 GLN A 85 6.560 -1.689 -6.876 1.00 0.00 O ATOM 1262 NE2 GLN A 85 4.462 -1.979 -6.351 1.00 0.00 N ATOM 0 H GLN A 85 3.948 -5.111 -6.396 1.00 0.00 H new ATOM 0 HA GLN A 85 6.039 -6.774 -7.609 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.438 -4.775 -7.199 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.932 -4.320 -7.973 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.196 -4.194 -5.307 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.886 -3.741 -5.199 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.736 -2.577 -5.957 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.224 -1.051 -6.701 1.00 0.00 H new ATOM 1271 N MET A 86 6.406 -7.960 -5.326 1.00 0.00 N ATOM 1272 CA MET A 86 6.985 -8.559 -4.091 1.00 0.00 C ATOM 1273 C MET A 86 8.458 -8.167 -3.971 1.00 0.00 C ATOM 1274 O MET A 86 9.153 -8.013 -4.956 1.00 0.00 O ATOM 1275 CB MET A 86 6.869 -10.083 -4.163 1.00 0.00 C ATOM 1276 CG MET A 86 5.869 -10.566 -3.113 1.00 0.00 C ATOM 1277 SD MET A 86 5.624 -12.351 -3.291 1.00 0.00 S ATOM 1278 CE MET A 86 5.066 -12.667 -1.599 1.00 0.00 C ATOM 0 H MET A 86 6.028 -8.629 -5.997 1.00 0.00 H new ATOM 0 HA MET A 86 6.441 -8.191 -3.221 1.00 0.00 H new ATOM 0 HB2 MET A 86 6.544 -10.387 -5.158 1.00 0.00 H new ATOM 0 HB3 MET A 86 7.843 -10.541 -3.992 1.00 0.00 H new ATOM 0 HG2 MET A 86 6.236 -10.336 -2.113 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.920 -10.044 -3.232 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.853 -13.729 -1.479 1.00 0.00 H new ATOM 0 HE2 MET A 86 5.846 -12.372 -0.897 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.162 -12.091 -1.400 1.00 0.00 H new ATOM 1288 N LYS A 87 8.940 -8.009 -2.769 1.00 0.00 N ATOM 1289 CA LYS A 87 10.370 -7.632 -2.586 1.00 0.00 C ATOM 1290 C LYS A 87 11.256 -8.834 -2.912 1.00 0.00 C ATOM 1291 O LYS A 87 12.458 -8.714 -3.047 1.00 0.00 O ATOM 1292 CB LYS A 87 10.603 -7.200 -1.136 1.00 0.00 C ATOM 1293 CG LYS A 87 9.495 -6.237 -0.705 1.00 0.00 C ATOM 1294 CD LYS A 87 8.669 -6.875 0.414 1.00 0.00 C ATOM 1295 CE LYS A 87 9.376 -6.666 1.754 1.00 0.00 C ATOM 1296 NZ LYS A 87 8.405 -6.126 2.747 1.00 0.00 N ATOM 0 H LYS A 87 8.407 -8.124 -1.907 1.00 0.00 H new ATOM 0 HA LYS A 87 10.618 -6.806 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 87 10.615 -8.073 -0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 87 11.576 -6.718 -1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.929 -5.298 -0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.854 -6.000 -1.554 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.673 -6.432 0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.538 -7.940 0.222 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.790 -7.609 2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.211 -5.976 1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.884 -5.983 3.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.030 -5.218 2.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.622 -6.800 2.869 1.00 0.00 H new ATOM 1310 N GLU A 88 10.672 -9.995 -3.043 1.00 0.00 N ATOM 1311 CA GLU A 88 11.481 -11.204 -3.364 1.00 0.00 C ATOM 1312 C GLU A 88 11.792 -11.224 -4.862 1.00 0.00 C ATOM 1313 O GLU A 88 12.558 -12.041 -5.332 1.00 0.00 O ATOM 1314 CB GLU A 88 10.692 -12.461 -2.991 1.00 0.00 C ATOM 1315 CG GLU A 88 10.033 -12.265 -1.625 1.00 0.00 C ATOM 1316 CD GLU A 88 9.668 -13.629 -1.035 1.00 0.00 C ATOM 1317 OE1 GLU A 88 9.016 -14.395 -1.724 1.00 0.00 O ATOM 1318 OE2 GLU A 88 10.048 -13.884 0.096 1.00 0.00 O ATOM 0 H GLU A 88 9.670 -10.157 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 88 12.412 -11.179 -2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.933 -12.664 -3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.356 -13.325 -2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.711 -11.736 -0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.139 -11.649 -1.725 1.00 0.00 H new ATOM 1325 N ASP A 89 11.201 -10.329 -5.611 1.00 0.00 N ATOM 1326 CA ASP A 89 11.454 -10.287 -7.081 1.00 0.00 C ATOM 1327 C ASP A 89 10.609 -11.358 -7.774 1.00 0.00 C ATOM 1328 O ASP A 89 9.632 -11.059 -8.433 1.00 0.00 O ATOM 1329 CB ASP A 89 12.939 -10.540 -7.358 1.00 0.00 C ATOM 1330 CG ASP A 89 13.786 -9.807 -6.315 1.00 0.00 C ATOM 1331 OD1 ASP A 89 13.231 -8.992 -5.596 1.00 0.00 O ATOM 1332 OD2 ASP A 89 14.974 -10.073 -6.254 1.00 0.00 O ATOM 0 H ASP A 89 10.551 -9.623 -5.265 1.00 0.00 H new ATOM 0 HA ASP A 89 11.182 -9.305 -7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 89 13.149 -11.609 -7.326 1.00 0.00 H new ATOM 0 HB3 ASP A 89 13.197 -10.195 -8.359 1.00 0.00 H new ATOM 1337 N ALA A 90 10.972 -12.605 -7.632 1.00 0.00 N ATOM 1338 CA ALA A 90 10.184 -13.687 -8.284 1.00 0.00 C ATOM 1339 C ALA A 90 10.096 -13.421 -9.788 1.00 0.00 C ATOM 1340 O ALA A 90 9.070 -12.927 -10.224 1.00 0.00 O ATOM 1341 CB ALA A 90 8.775 -13.718 -7.689 1.00 0.00 C ATOM 1342 OXT ALA A 90 11.059 -13.716 -10.478 1.00 0.00 O ATOM 0 H ALA A 90 11.779 -12.919 -7.093 1.00 0.00 H new ATOM 0 HA ALA A 90 10.673 -14.646 -8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.196 -14.510 -8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.837 -13.908 -6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.287 -12.759 -7.860 1.00 0.00 H new TER 1348 ALA A 90