USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 585 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+ 154:sc= 0.062 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0405 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 154:sc= -0.205 (180deg=-1.37!) USER MOD Single : A 13 GLN : amide:sc=-0.00711 K(o=-0.0071,f=-1.2) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -156:sc= -0.0894 (180deg=-0.767) USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= -0.039 (180deg=-0.349) USER MOD Single : A 18 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.71) USER MOD Single : A 20 THR OG1 : rot 110:sc= 0.856 USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= -1.5 (180deg=-1.6) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -45:sc= 0.31 USER MOD Single : A 31 GLN : amide:sc= -0.0142 K(o=-0.014,f=-1.8!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.765 USER MOD Single : A 34 GLN : amide:sc= -0.808 K(o=-0.81,f=-0.0035) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 38 GLN : amide:sc= -0.247 K(o=-0.25,f=-1.2) USER MOD Single : A 44 THR OG1 : rot -58:sc= 0.824 USER MOD Single : A 48 SER OG : rot 14:sc= 0.0312 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -122:sc= -1.47 (180deg=-3.83!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -1:sc= -0.925 USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= -0.0135 (180deg=-0.35) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -168:sc= 0.199 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.519 -27.987 12.257 1.00 1.00 N ATOM 2 CA SER A 1 1.489 -27.092 12.856 1.00 1.00 C ATOM 3 C SER A 1 1.967 -25.647 12.786 1.00 1.00 C ATOM 4 O SER A 1 3.078 -25.330 13.211 1.00 1.00 O ATOM 5 CB SER A 1 1.250 -27.495 14.312 1.00 1.00 C ATOM 6 OG SER A 1 0.976 -28.888 14.375 1.00 1.00 O ATOM 0 H1 SER A 1 2.436 -28.937 12.671 1.00 1.00 H new ATOM 0 H2 SER A 1 2.374 -28.043 11.229 1.00 1.00 H new ATOM 0 H3 SER A 1 3.467 -27.606 12.453 1.00 1.00 H new ATOM 0 HA SER A 1 0.555 -27.185 12.301 1.00 1.00 H new ATOM 0 HB2 SER A 1 2.126 -27.257 14.916 1.00 1.00 H new ATOM 0 HB3 SER A 1 0.415 -26.929 14.726 1.00 1.00 H new ATOM 0 HG SER A 1 0.824 -29.150 15.307 1.00 1.00 H new ATOM 14 N GLU A 2 1.120 -24.775 12.249 1.00 1.00 N ATOM 15 CA GLU A 2 1.465 -23.364 12.128 1.00 1.00 C ATOM 16 C GLU A 2 0.219 -22.523 11.872 1.00 1.00 C ATOM 17 O GLU A 2 -0.717 -22.967 11.204 1.00 1.00 O ATOM 18 CB GLU A 2 2.462 -23.165 10.985 1.00 1.00 C ATOM 19 CG GLU A 2 1.874 -23.722 9.686 1.00 1.00 C ATOM 20 CD GLU A 2 2.853 -23.512 8.537 1.00 1.00 C ATOM 21 OE1 GLU A 2 3.565 -22.522 8.568 1.00 1.00 O ATOM 22 OE2 GLU A 2 2.874 -24.342 7.643 1.00 1.00 O ATOM 0 H GLU A 2 0.196 -25.019 11.893 1.00 1.00 H new ATOM 0 HA GLU A 2 1.918 -23.041 13.065 1.00 1.00 H new ATOM 0 HB2 GLU A 2 2.689 -22.105 10.868 1.00 1.00 H new ATOM 0 HB3 GLU A 2 3.401 -23.669 11.216 1.00 1.00 H new ATOM 0 HG2 GLU A 2 1.658 -24.784 9.801 1.00 1.00 H new ATOM 0 HG3 GLU A 2 0.929 -23.227 9.464 1.00 1.00 H new ATOM 29 N ALA A 3 0.210 -21.311 12.415 1.00 1.00 N ATOM 30 CA ALA A 3 -0.921 -20.416 12.251 1.00 1.00 C ATOM 31 C ALA A 3 -1.091 -20.039 10.790 1.00 1.00 C ATOM 32 O ALA A 3 -0.302 -19.279 10.227 1.00 1.00 O ATOM 33 CB ALA A 3 -0.710 -19.151 13.085 1.00 1.00 C ATOM 0 H ALA A 3 0.975 -20.929 12.972 1.00 1.00 H new ATOM 0 HA ALA A 3 -1.821 -20.929 12.591 1.00 1.00 H new ATOM 0 HB1 ALA A 3 -1.563 -18.484 12.957 1.00 1.00 H new ATOM 0 HB2 ALA A 3 -0.615 -19.420 14.137 1.00 1.00 H new ATOM 0 HB3 ALA A 3 0.198 -18.646 12.756 1.00 1.00 H new ATOM 39 N GLU A 4 -2.134 -20.580 10.189 1.00 1.00 N ATOM 40 CA GLU A 4 -2.433 -20.314 8.786 1.00 1.00 C ATOM 41 C GLU A 4 -2.810 -18.846 8.592 1.00 1.00 C ATOM 42 O GLU A 4 -2.778 -18.327 7.476 1.00 1.00 O ATOM 43 CB GLU A 4 -3.583 -21.212 8.324 1.00 1.00 C ATOM 44 CG GLU A 4 -3.804 -21.033 6.819 1.00 1.00 C ATOM 45 CD GLU A 4 -4.875 -22.000 6.327 1.00 1.00 C ATOM 46 OE1 GLU A 4 -5.196 -22.922 7.060 1.00 1.00 O ATOM 47 OE2 GLU A 4 -5.356 -21.808 5.223 1.00 1.00 O ATOM 0 H GLU A 4 -2.793 -21.209 10.648 1.00 1.00 H new ATOM 0 HA GLU A 4 -1.546 -20.528 8.190 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -3.355 -22.254 8.547 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -4.494 -20.962 8.868 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -4.105 -20.007 6.607 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -2.871 -21.208 6.283 1.00 1.00 H new ATOM 54 N ASP A 5 -3.159 -18.179 9.688 1.00 1.00 N ATOM 55 CA ASP A 5 -3.536 -16.771 9.624 1.00 1.00 C ATOM 56 C ASP A 5 -2.370 -15.935 9.119 1.00 1.00 C ATOM 57 O ASP A 5 -2.559 -14.980 8.365 1.00 1.00 O ATOM 58 CB ASP A 5 -3.960 -16.275 11.009 1.00 1.00 C ATOM 59 CG ASP A 5 -5.319 -16.861 11.375 1.00 1.00 C ATOM 60 OD1 ASP A 5 -5.978 -17.378 10.487 1.00 1.00 O ATOM 61 OD2 ASP A 5 -5.683 -16.783 12.536 1.00 1.00 O ATOM 0 H ASP A 5 -3.189 -18.586 10.623 1.00 1.00 H new ATOM 0 HA ASP A 5 -4.373 -16.669 8.934 1.00 1.00 H new ATOM 0 HB2 ASP A 5 -3.217 -16.565 11.752 1.00 1.00 H new ATOM 0 HB3 ASP A 5 -4.010 -15.186 11.016 1.00 1.00 H new ATOM 66 N ALA A 6 -1.166 -16.281 9.554 1.00 1.00 N ATOM 67 CA ALA A 6 0.007 -15.534 9.156 1.00 1.00 C ATOM 68 C ALA A 6 0.096 -15.470 7.644 1.00 1.00 C ATOM 69 O ALA A 6 0.111 -16.490 6.955 1.00 1.00 O ATOM 70 CB ALA A 6 1.271 -16.200 9.707 1.00 1.00 C ATOM 0 H ALA A 6 -0.982 -17.068 10.177 1.00 1.00 H new ATOM 0 HA ALA A 6 -0.074 -14.524 9.558 1.00 1.00 H new ATOM 0 HB1 ALA A 6 2.147 -15.628 9.400 1.00 1.00 H new ATOM 0 HB2 ALA A 6 1.221 -16.231 10.795 1.00 1.00 H new ATOM 0 HB3 ALA A 6 1.346 -17.215 9.318 1.00 1.00 H new ATOM 76 N SER A 7 0.149 -14.250 7.149 1.00 1.00 N ATOM 77 CA SER A 7 0.231 -14.009 5.721 1.00 1.00 C ATOM 78 C SER A 7 1.617 -14.363 5.198 1.00 1.00 C ATOM 79 O SER A 7 2.523 -14.701 5.961 1.00 1.00 O ATOM 80 CB SER A 7 -0.059 -12.536 5.424 1.00 1.00 C ATOM 81 OG SER A 7 -1.434 -12.265 5.656 1.00 1.00 O ATOM 0 H SER A 7 0.137 -13.404 7.719 1.00 1.00 H new ATOM 0 HA SER A 7 -0.508 -14.637 5.223 1.00 1.00 H new ATOM 0 HB2 SER A 7 0.559 -11.899 6.056 1.00 1.00 H new ATOM 0 HB3 SER A 7 0.198 -12.306 4.390 1.00 1.00 H new ATOM 0 HG SER A 7 -1.618 -11.321 5.467 1.00 1.00 H new ATOM 87 N LEU A 8 1.763 -14.268 3.888 1.00 1.00 N ATOM 88 CA LEU A 8 3.027 -14.562 3.224 1.00 1.00 C ATOM 89 C LEU A 8 4.166 -13.731 3.806 1.00 1.00 C ATOM 90 O LEU A 8 5.319 -13.875 3.398 1.00 1.00 O ATOM 91 CB LEU A 8 2.898 -14.279 1.720 1.00 1.00 C ATOM 92 CG LEU A 8 2.672 -12.760 1.463 1.00 1.00 C ATOM 93 CD1 LEU A 8 3.983 -12.085 1.039 1.00 1.00 C ATOM 94 CD2 LEU A 8 1.648 -12.568 0.335 1.00 1.00 C ATOM 0 H LEU A 8 1.015 -13.987 3.255 1.00 1.00 H new ATOM 0 HA LEU A 8 3.258 -15.615 3.385 1.00 1.00 H new ATOM 0 HB2 LEU A 8 3.799 -14.610 1.204 1.00 1.00 H new ATOM 0 HB3 LEU A 8 2.066 -14.850 1.307 1.00 1.00 H new ATOM 0 HG LEU A 8 2.308 -12.311 2.387 1.00 1.00 H new ATOM 0 HD11 LEU A 8 3.806 -11.024 0.864 1.00 1.00 H new ATOM 0 HD12 LEU A 8 4.725 -12.203 1.829 1.00 1.00 H new ATOM 0 HD13 LEU A 8 4.351 -12.548 0.123 1.00 1.00 H new ATOM 0 HD21 LEU A 8 1.495 -11.503 0.160 1.00 1.00 H new ATOM 0 HD22 LEU A 8 2.019 -13.036 -0.577 1.00 1.00 H new ATOM 0 HD23 LEU A 8 0.702 -13.029 0.620 1.00 1.00 H new ATOM 106 N LEU A 9 3.850 -12.881 4.774 1.00 1.00 N ATOM 107 CA LEU A 9 4.854 -12.050 5.425 1.00 1.00 C ATOM 108 C LEU A 9 5.591 -12.848 6.501 1.00 1.00 C ATOM 109 O LEU A 9 6.570 -12.380 7.078 1.00 1.00 O ATOM 110 CB LEU A 9 4.167 -10.842 6.065 1.00 1.00 C ATOM 111 CG LEU A 9 3.377 -10.070 4.997 1.00 1.00 C ATOM 112 CD1 LEU A 9 2.636 -8.904 5.659 1.00 1.00 C ATOM 113 CD2 LEU A 9 4.337 -9.529 3.923 1.00 1.00 C ATOM 0 H LEU A 9 2.902 -12.749 5.127 1.00 1.00 H new ATOM 0 HA LEU A 9 5.577 -11.716 4.681 1.00 1.00 H new ATOM 0 HB2 LEU A 9 3.497 -11.171 6.860 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.910 -10.190 6.524 1.00 1.00 H new ATOM 0 HG LEU A 9 2.658 -10.740 4.526 1.00 1.00 H new ATOM 0 HD11 LEU A 9 2.074 -8.354 4.904 1.00 1.00 H new ATOM 0 HD12 LEU A 9 1.949 -9.290 6.412 1.00 1.00 H new ATOM 0 HD13 LEU A 9 3.356 -8.237 6.133 1.00 1.00 H new ATOM 0 HD21 LEU A 9 3.769 -8.983 3.169 1.00 1.00 H new ATOM 0 HD22 LEU A 9 5.062 -8.860 4.387 1.00 1.00 H new ATOM 0 HD23 LEU A 9 4.861 -10.360 3.451 1.00 1.00 H new ATOM 125 N SER A 10 5.100 -14.053 6.774 1.00 1.00 N ATOM 126 CA SER A 10 5.711 -14.897 7.798 1.00 1.00 C ATOM 127 C SER A 10 7.135 -15.277 7.436 1.00 1.00 C ATOM 128 O SER A 10 8.080 -14.904 8.132 1.00 1.00 O ATOM 129 CB SER A 10 4.875 -16.159 8.027 1.00 1.00 C ATOM 130 OG SER A 10 5.171 -16.695 9.311 1.00 1.00 O ATOM 0 H SER A 10 4.291 -14.464 6.308 1.00 1.00 H new ATOM 0 HA SER A 10 5.741 -14.317 8.720 1.00 1.00 H new ATOM 0 HB2 SER A 10 3.813 -15.923 7.955 1.00 1.00 H new ATOM 0 HB3 SER A 10 5.091 -16.897 7.254 1.00 1.00 H new ATOM 0 HG SER A 10 4.635 -17.502 9.460 1.00 1.00 H new ATOM 136 N PHE A 11 7.286 -16.041 6.372 1.00 1.00 N ATOM 137 CA PHE A 11 8.612 -16.483 5.970 1.00 1.00 C ATOM 138 C PHE A 11 9.597 -15.321 6.040 1.00 1.00 C ATOM 139 O PHE A 11 10.692 -15.461 6.584 1.00 1.00 O ATOM 140 CB PHE A 11 8.571 -17.034 4.545 1.00 1.00 C ATOM 141 CG PHE A 11 7.840 -18.351 4.535 1.00 1.00 C ATOM 142 CD1 PHE A 11 6.445 -18.377 4.431 1.00 1.00 C ATOM 143 CD2 PHE A 11 8.559 -19.547 4.631 1.00 1.00 C ATOM 144 CE1 PHE A 11 5.768 -19.602 4.421 1.00 1.00 C ATOM 145 CE2 PHE A 11 7.883 -20.772 4.620 1.00 1.00 C ATOM 146 CZ PHE A 11 6.487 -20.799 4.516 1.00 1.00 C ATOM 0 H PHE A 11 6.523 -16.365 5.778 1.00 1.00 H new ATOM 0 HA PHE A 11 8.938 -17.270 6.650 1.00 1.00 H new ATOM 0 HB2 PHE A 11 8.073 -16.325 3.884 1.00 1.00 H new ATOM 0 HB3 PHE A 11 9.584 -17.166 4.166 1.00 1.00 H new ATOM 0 HD1 PHE A 11 5.891 -17.453 4.359 1.00 1.00 H new ATOM 0 HD2 PHE A 11 9.636 -19.525 4.714 1.00 1.00 H new ATOM 0 HE1 PHE A 11 4.691 -19.624 4.340 1.00 1.00 H new ATOM 0 HE2 PHE A 11 8.438 -21.696 4.692 1.00 1.00 H new ATOM 0 HZ PHE A 11 5.965 -21.744 4.509 1.00 1.00 H new ATOM 156 N MET A 12 9.216 -14.189 5.463 1.00 1.00 N ATOM 157 CA MET A 12 10.102 -13.026 5.445 1.00 1.00 C ATOM 158 C MET A 12 10.373 -12.518 6.854 1.00 1.00 C ATOM 159 O MET A 12 11.509 -12.563 7.323 1.00 1.00 O ATOM 160 CB MET A 12 9.484 -11.906 4.604 1.00 1.00 C ATOM 161 CG MET A 12 9.507 -12.303 3.126 1.00 1.00 C ATOM 162 SD MET A 12 8.705 -11.011 2.142 1.00 1.00 S ATOM 163 CE MET A 12 9.910 -9.696 2.460 1.00 1.00 C ATOM 0 H MET A 12 8.314 -14.049 5.007 1.00 1.00 H new ATOM 0 HA MET A 12 11.049 -13.334 5.002 1.00 1.00 H new ATOM 0 HB2 MET A 12 8.459 -11.719 4.925 1.00 1.00 H new ATOM 0 HB3 MET A 12 10.038 -10.979 4.751 1.00 1.00 H new ATOM 0 HG2 MET A 12 10.535 -12.444 2.792 1.00 1.00 H new ATOM 0 HG3 MET A 12 8.993 -13.254 2.986 1.00 1.00 H new ATOM 0 HE1 MET A 12 9.896 -8.983 1.636 1.00 1.00 H new ATOM 0 HE2 MET A 12 9.653 -9.184 3.387 1.00 1.00 H new ATOM 0 HE3 MET A 12 10.906 -10.129 2.549 1.00 1.00 H new ATOM 173 N GLN A 13 9.326 -12.027 7.516 1.00 1.00 N ATOM 174 CA GLN A 13 9.460 -11.499 8.879 1.00 1.00 C ATOM 175 C GLN A 13 10.527 -12.274 9.663 1.00 1.00 C ATOM 176 O GLN A 13 11.461 -11.684 10.207 1.00 1.00 O ATOM 177 CB GLN A 13 8.111 -11.572 9.609 1.00 1.00 C ATOM 178 CG GLN A 13 7.221 -10.401 9.179 1.00 1.00 C ATOM 179 CD GLN A 13 5.830 -10.559 9.784 1.00 1.00 C ATOM 180 OE1 GLN A 13 5.340 -11.679 9.929 1.00 1.00 O ATOM 181 NE2 GLN A 13 5.161 -9.500 10.154 1.00 1.00 N ATOM 0 H GLN A 13 8.380 -11.982 7.136 1.00 1.00 H new ATOM 0 HA GLN A 13 9.773 -10.457 8.813 1.00 1.00 H new ATOM 0 HB2 GLN A 13 7.617 -12.517 9.384 1.00 1.00 H new ATOM 0 HB3 GLN A 13 8.269 -11.543 10.687 1.00 1.00 H new ATOM 0 HG2 GLN A 13 7.663 -9.459 9.502 1.00 1.00 H new ATOM 0 HG3 GLN A 13 7.153 -10.365 8.092 1.00 1.00 H new ATOM 0 HE21 GLN A 13 5.567 -8.572 10.034 1.00 1.00 H new ATOM 0 HE22 GLN A 13 4.232 -9.601 10.563 1.00 1.00 H new ATOM 190 N GLY A 14 10.382 -13.594 9.714 1.00 1.00 N ATOM 191 CA GLY A 14 11.338 -14.433 10.429 1.00 1.00 C ATOM 192 C GLY A 14 12.691 -14.479 9.713 1.00 1.00 C ATOM 193 O GLY A 14 13.739 -14.529 10.354 1.00 1.00 O ATOM 0 H GLY A 14 9.617 -14.104 9.272 1.00 1.00 H new ATOM 0 HA2 GLY A 14 11.474 -14.051 11.441 1.00 1.00 H new ATOM 0 HA3 GLY A 14 10.939 -15.443 10.521 1.00 1.00 H new ATOM 197 N TYR A 15 12.666 -14.475 8.386 1.00 1.00 N ATOM 198 CA TYR A 15 13.910 -14.531 7.620 1.00 1.00 C ATOM 199 C TYR A 15 14.896 -13.508 8.136 1.00 1.00 C ATOM 200 O TYR A 15 15.968 -13.861 8.628 1.00 1.00 O ATOM 201 CB TYR A 15 13.623 -14.296 6.131 1.00 1.00 C ATOM 202 CG TYR A 15 14.867 -14.531 5.311 1.00 1.00 C ATOM 203 CD1 TYR A 15 15.179 -15.824 4.879 1.00 1.00 C ATOM 204 CD2 TYR A 15 15.698 -13.458 4.968 1.00 1.00 C ATOM 205 CE1 TYR A 15 16.324 -16.048 4.107 1.00 1.00 C ATOM 206 CE2 TYR A 15 16.843 -13.679 4.191 1.00 1.00 C ATOM 207 CZ TYR A 15 17.157 -14.975 3.762 1.00 1.00 C ATOM 208 OH TYR A 15 18.281 -15.196 2.992 1.00 1.00 O ATOM 0 H TYR A 15 11.816 -14.434 7.824 1.00 1.00 H new ATOM 0 HA TYR A 15 14.350 -15.521 7.740 1.00 1.00 H new ATOM 0 HB2 TYR A 15 12.829 -14.964 5.798 1.00 1.00 H new ATOM 0 HB3 TYR A 15 13.267 -13.277 5.979 1.00 1.00 H new ATOM 0 HD1 TYR A 15 14.535 -16.650 5.142 1.00 1.00 H new ATOM 0 HD2 TYR A 15 15.457 -12.460 5.302 1.00 1.00 H new ATOM 0 HE1 TYR A 15 16.566 -17.047 3.777 1.00 1.00 H new ATOM 0 HE2 TYR A 15 17.483 -12.851 3.923 1.00 1.00 H new ATOM 0 HH TYR A 15 18.747 -14.347 2.843 1.00 1.00 H new ATOM 218 N MET A 16 14.547 -12.248 8.013 1.00 1.00 N ATOM 219 CA MET A 16 15.439 -11.207 8.469 1.00 1.00 C ATOM 220 C MET A 16 15.750 -11.441 9.929 1.00 1.00 C ATOM 221 O MET A 16 16.846 -11.129 10.395 1.00 1.00 O ATOM 222 CB MET A 16 14.787 -9.830 8.299 1.00 1.00 C ATOM 223 CG MET A 16 14.590 -9.526 6.814 1.00 1.00 C ATOM 224 SD MET A 16 13.898 -7.864 6.625 1.00 1.00 S ATOM 225 CE MET A 16 12.236 -8.214 7.259 1.00 1.00 C ATOM 0 H MET A 16 13.669 -11.923 7.609 1.00 1.00 H new ATOM 0 HA MET A 16 16.355 -11.232 7.878 1.00 1.00 H new ATOM 0 HB2 MET A 16 13.827 -9.807 8.814 1.00 1.00 H new ATOM 0 HB3 MET A 16 15.412 -9.063 8.756 1.00 1.00 H new ATOM 0 HG2 MET A 16 15.542 -9.597 6.288 1.00 1.00 H new ATOM 0 HG3 MET A 16 13.923 -10.262 6.366 1.00 1.00 H new ATOM 0 HE1 MET A 16 11.532 -7.486 6.856 1.00 1.00 H new ATOM 0 HE2 MET A 16 11.935 -9.217 6.956 1.00 1.00 H new ATOM 0 HE3 MET A 16 12.241 -8.150 8.347 1.00 1.00 H new ATOM 235 N LYS A 17 14.797 -12.015 10.652 1.00 1.00 N ATOM 236 CA LYS A 17 15.031 -12.297 12.061 1.00 1.00 C ATOM 237 C LYS A 17 16.167 -13.310 12.208 1.00 1.00 C ATOM 238 O LYS A 17 17.087 -13.122 13.003 1.00 1.00 O ATOM 239 CB LYS A 17 13.749 -12.815 12.739 1.00 1.00 C ATOM 240 CG LYS A 17 13.819 -12.571 14.253 1.00 1.00 C ATOM 241 CD LYS A 17 12.479 -12.949 14.890 1.00 1.00 C ATOM 242 CE LYS A 17 12.570 -12.779 16.409 1.00 1.00 C ATOM 243 NZ LYS A 17 12.776 -11.340 16.740 1.00 1.00 N ATOM 0 H LYS A 17 13.880 -12.288 10.299 1.00 1.00 H new ATOM 0 HA LYS A 17 15.319 -11.370 12.557 1.00 1.00 H new ATOM 0 HB2 LYS A 17 12.878 -12.311 12.321 1.00 1.00 H new ATOM 0 HB3 LYS A 17 13.627 -13.880 12.539 1.00 1.00 H new ATOM 0 HG2 LYS A 17 14.623 -13.163 14.691 1.00 1.00 H new ATOM 0 HG3 LYS A 17 14.048 -11.524 14.454 1.00 1.00 H new ATOM 0 HD2 LYS A 17 11.684 -12.320 14.490 1.00 1.00 H new ATOM 0 HD3 LYS A 17 12.225 -13.980 14.643 1.00 1.00 H new ATOM 0 HE2 LYS A 17 11.658 -13.144 16.881 1.00 1.00 H new ATOM 0 HE3 LYS A 17 13.393 -13.375 16.803 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 12.553 -11.179 17.743 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 13.767 -11.081 16.560 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 12.152 -10.755 16.149 1.00 1.00 H new ATOM 257 N HIS A 18 16.080 -14.392 11.431 1.00 1.00 N ATOM 258 CA HIS A 18 17.089 -15.450 11.474 1.00 1.00 C ATOM 259 C HIS A 18 18.375 -15.047 10.755 1.00 1.00 C ATOM 260 O HIS A 18 19.464 -15.244 11.286 1.00 1.00 O ATOM 261 CB HIS A 18 16.536 -16.723 10.834 1.00 1.00 C ATOM 262 CG HIS A 18 17.559 -17.822 10.941 1.00 1.00 C ATOM 263 ND1 HIS A 18 18.529 -18.027 9.972 1.00 1.00 N ATOM 264 CD2 HIS A 18 17.772 -18.785 11.895 1.00 1.00 C ATOM 265 CE1 HIS A 18 19.274 -19.078 10.361 1.00 1.00 C ATOM 266 NE2 HIS A 18 18.856 -19.579 11.526 1.00 1.00 N ATOM 0 H HIS A 18 15.324 -14.557 10.767 1.00 1.00 H new ATOM 0 HA HIS A 18 17.328 -15.626 12.523 1.00 1.00 H new ATOM 0 HB2 HIS A 18 15.613 -17.021 11.331 1.00 1.00 H new ATOM 0 HB3 HIS A 18 16.291 -16.540 9.788 1.00 1.00 H new ATOM 0 HD2 HIS A 18 17.188 -18.909 12.795 1.00 1.00 H new ATOM 0 HE1 HIS A 18 20.109 -19.469 9.799 1.00 1.00 H new ATOM 0 HE2 HIS A 18 19.246 -20.372 12.036 1.00 1.00 H new ATOM 274 N ALA A 19 18.259 -14.526 9.530 1.00 1.00 N ATOM 275 CA ALA A 19 19.454 -14.164 8.757 1.00 1.00 C ATOM 276 C ALA A 19 20.312 -13.163 9.500 1.00 1.00 C ATOM 277 O ALA A 19 21.510 -13.034 9.241 1.00 1.00 O ATOM 278 CB ALA A 19 19.045 -13.594 7.399 1.00 1.00 C ATOM 0 H ALA A 19 17.372 -14.348 9.059 1.00 1.00 H new ATOM 0 HA ALA A 19 20.044 -15.068 8.609 1.00 1.00 H new ATOM 0 HB1 ALA A 19 19.937 -13.328 6.832 1.00 1.00 H new ATOM 0 HB2 ALA A 19 18.474 -14.341 6.848 1.00 1.00 H new ATOM 0 HB3 ALA A 19 18.431 -12.705 7.547 1.00 1.00 H new ATOM 284 N THR A 20 19.705 -12.479 10.437 1.00 1.00 N ATOM 285 CA THR A 20 20.440 -11.514 11.236 1.00 1.00 C ATOM 286 C THR A 20 21.463 -12.251 12.100 1.00 1.00 C ATOM 287 O THR A 20 22.440 -11.665 12.563 1.00 1.00 O ATOM 288 CB THR A 20 19.472 -10.730 12.125 1.00 1.00 C ATOM 289 OG1 THR A 20 18.652 -9.901 11.313 1.00 1.00 O ATOM 290 CG2 THR A 20 20.258 -9.870 13.115 1.00 1.00 C ATOM 0 H THR A 20 18.715 -12.566 10.669 1.00 1.00 H new ATOM 0 HA THR A 20 20.957 -10.815 10.579 1.00 1.00 H new ATOM 0 HB THR A 20 18.845 -11.427 12.681 1.00 1.00 H new ATOM 0 HG1 THR A 20 17.736 -10.249 11.311 1.00 1.00 H new ATOM 0 HG21 THR A 20 19.564 -9.314 13.745 1.00 1.00 H new ATOM 0 HG22 THR A 20 20.881 -10.511 13.739 1.00 1.00 H new ATOM 0 HG23 THR A 20 20.890 -9.171 12.568 1.00 1.00 H new ATOM 298 N LYS A 21 21.239 -13.550 12.280 1.00 1.00 N ATOM 299 CA LYS A 21 22.159 -14.373 13.056 1.00 1.00 C ATOM 300 C LYS A 21 23.503 -14.506 12.348 1.00 1.00 C ATOM 301 O LYS A 21 24.554 -14.508 12.987 1.00 1.00 O ATOM 302 CB LYS A 21 21.573 -15.762 13.323 1.00 1.00 C ATOM 303 CG LYS A 21 20.384 -15.626 14.275 1.00 1.00 C ATOM 304 CD LYS A 21 19.801 -17.005 14.581 1.00 1.00 C ATOM 305 CE LYS A 21 18.665 -16.853 15.593 1.00 1.00 C ATOM 306 NZ LYS A 21 17.582 -16.021 14.998 1.00 1.00 N ATOM 0 H LYS A 21 20.435 -14.051 11.902 1.00 1.00 H new ATOM 0 HA LYS A 21 22.313 -13.873 14.012 1.00 1.00 H new ATOM 0 HB2 LYS A 21 21.256 -16.223 12.388 1.00 1.00 H new ATOM 0 HB3 LYS A 21 22.331 -16.413 13.758 1.00 1.00 H new ATOM 0 HG2 LYS A 21 20.701 -15.142 15.199 1.00 1.00 H new ATOM 0 HG3 LYS A 21 19.620 -14.990 13.828 1.00 1.00 H new ATOM 0 HD2 LYS A 21 19.431 -17.468 13.666 1.00 1.00 H new ATOM 0 HD3 LYS A 21 20.575 -17.661 14.980 1.00 1.00 H new ATOM 0 HE2 LYS A 21 18.276 -17.833 15.870 1.00 1.00 H new ATOM 0 HE3 LYS A 21 19.036 -16.388 16.506 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 16.815 -15.902 15.691 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 17.963 -15.088 14.739 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 17.210 -16.491 14.148 1.00 1.00 H new ATOM 320 N THR A 22 23.460 -14.641 11.028 1.00 1.00 N ATOM 321 CA THR A 22 24.685 -14.807 10.240 1.00 1.00 C ATOM 322 C THR A 22 25.635 -13.618 10.414 1.00 1.00 C ATOM 323 O THR A 22 26.807 -13.690 10.043 1.00 1.00 O ATOM 324 CB THR A 22 24.327 -14.972 8.759 1.00 1.00 C ATOM 325 OG1 THR A 22 23.343 -15.991 8.625 1.00 1.00 O ATOM 326 CG2 THR A 22 25.573 -15.373 7.967 1.00 1.00 C ATOM 0 H THR A 22 22.600 -14.640 10.480 1.00 1.00 H new ATOM 0 HA THR A 22 25.197 -15.699 10.600 1.00 1.00 H new ATOM 0 HB THR A 22 23.941 -14.028 8.375 1.00 1.00 H new ATOM 0 HG1 THR A 22 23.110 -16.098 7.679 1.00 1.00 H new ATOM 0 HG21 THR A 22 25.314 -15.489 6.915 1.00 1.00 H new ATOM 0 HG22 THR A 22 26.334 -14.599 8.070 1.00 1.00 H new ATOM 0 HG23 THR A 22 25.960 -16.317 8.351 1.00 1.00 H new ATOM 334 N ALA A 23 25.123 -12.528 10.974 1.00 1.00 N ATOM 335 CA ALA A 23 25.920 -11.331 11.189 1.00 1.00 C ATOM 336 C ALA A 23 27.247 -11.681 11.855 1.00 1.00 C ATOM 337 O ALA A 23 28.299 -11.287 11.376 1.00 1.00 O ATOM 338 CB ALA A 23 25.144 -10.356 12.073 1.00 1.00 C ATOM 0 H ALA A 23 24.155 -12.451 11.288 1.00 1.00 H new ATOM 0 HA ALA A 23 26.127 -10.870 10.223 1.00 1.00 H new ATOM 0 HB1 ALA A 23 25.740 -9.458 12.235 1.00 1.00 H new ATOM 0 HB2 ALA A 23 24.208 -10.087 11.583 1.00 1.00 H new ATOM 0 HB3 ALA A 23 24.929 -10.827 13.032 1.00 1.00 H new ATOM 344 N LYS A 24 27.188 -12.426 12.956 1.00 1.00 N ATOM 345 CA LYS A 24 28.400 -12.833 13.674 1.00 1.00 C ATOM 346 C LYS A 24 29.407 -13.464 12.705 1.00 1.00 C ATOM 347 O LYS A 24 30.439 -12.876 12.377 1.00 1.00 O ATOM 348 CB LYS A 24 28.006 -13.843 14.758 1.00 1.00 C ATOM 349 CG LYS A 24 29.212 -14.170 15.640 1.00 1.00 C ATOM 350 CD LYS A 24 28.775 -15.061 16.813 1.00 1.00 C ATOM 351 CE LYS A 24 28.557 -16.503 16.335 1.00 1.00 C ATOM 352 NZ LYS A 24 28.356 -17.388 17.515 1.00 1.00 N ATOM 0 H LYS A 24 26.319 -12.761 13.372 1.00 1.00 H new ATOM 0 HA LYS A 24 28.869 -11.961 14.130 1.00 1.00 H new ATOM 0 HB2 LYS A 24 27.200 -13.436 15.368 1.00 1.00 H new ATOM 0 HB3 LYS A 24 27.627 -14.754 14.295 1.00 1.00 H new ATOM 0 HG2 LYS A 24 29.977 -14.677 15.052 1.00 1.00 H new ATOM 0 HG3 LYS A 24 29.658 -13.250 16.017 1.00 1.00 H new ATOM 0 HD2 LYS A 24 29.533 -15.041 17.596 1.00 1.00 H new ATOM 0 HD3 LYS A 24 27.855 -14.673 17.250 1.00 1.00 H new ATOM 0 HE2 LYS A 24 27.690 -16.553 15.677 1.00 1.00 H new ATOM 0 HE3 LYS A 24 29.417 -16.840 15.756 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 28.208 -18.366 17.194 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 29.196 -17.348 18.126 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 27.523 -17.069 18.050 1.00 1.00 H new ATOM 366 N ASP A 25 29.105 -14.687 12.294 1.00 1.00 N ATOM 367 CA ASP A 25 29.986 -15.432 11.404 1.00 1.00 C ATOM 368 C ASP A 25 30.409 -14.530 10.256 1.00 1.00 C ATOM 369 O ASP A 25 31.578 -14.506 9.874 1.00 1.00 O ATOM 370 CB ASP A 25 29.269 -16.666 10.849 1.00 1.00 C ATOM 371 CG ASP A 25 29.123 -17.719 11.939 1.00 1.00 C ATOM 372 OD1 ASP A 25 29.810 -17.607 12.940 1.00 1.00 O ATOM 373 OD2 ASP A 25 28.327 -18.628 11.756 1.00 1.00 O ATOM 0 H ASP A 25 28.256 -15.185 12.562 1.00 1.00 H new ATOM 0 HA ASP A 25 30.862 -15.761 11.963 1.00 1.00 H new ATOM 0 HB2 ASP A 25 28.287 -16.386 10.469 1.00 1.00 H new ATOM 0 HB3 ASP A 25 29.830 -17.076 10.009 1.00 1.00 H new ATOM 378 N ALA A 26 29.463 -13.758 9.738 1.00 1.00 N ATOM 379 CA ALA A 26 29.771 -12.827 8.668 1.00 1.00 C ATOM 380 C ALA A 26 30.680 -11.715 9.197 1.00 1.00 C ATOM 381 O ALA A 26 31.610 -11.287 8.523 1.00 1.00 O ATOM 382 CB ALA A 26 28.481 -12.219 8.120 1.00 1.00 C ATOM 0 H ALA A 26 28.488 -13.759 10.039 1.00 1.00 H new ATOM 0 HA ALA A 26 30.283 -13.361 7.867 1.00 1.00 H new ATOM 0 HB1 ALA A 26 28.720 -11.521 7.317 1.00 1.00 H new ATOM 0 HB2 ALA A 26 27.841 -13.012 7.733 1.00 1.00 H new ATOM 0 HB3 ALA A 26 27.961 -11.689 8.918 1.00 1.00 H new ATOM 388 N LEU A 27 30.397 -11.242 10.413 1.00 1.00 N ATOM 389 CA LEU A 27 31.201 -10.164 11.012 1.00 1.00 C ATOM 390 C LEU A 27 32.656 -10.571 11.139 1.00 1.00 C ATOM 391 O LEU A 27 33.558 -9.820 10.773 1.00 1.00 O ATOM 392 CB LEU A 27 30.642 -9.781 12.396 1.00 1.00 C ATOM 393 CG LEU A 27 31.500 -8.681 13.047 1.00 1.00 C ATOM 394 CD1 LEU A 27 31.568 -7.445 12.138 1.00 1.00 C ATOM 395 CD2 LEU A 27 30.870 -8.294 14.389 1.00 1.00 C ATOM 0 H LEU A 27 29.632 -11.579 10.997 1.00 1.00 H new ATOM 0 HA LEU A 27 31.143 -9.299 10.351 1.00 1.00 H new ATOM 0 HB2 LEU A 27 29.614 -9.434 12.295 1.00 1.00 H new ATOM 0 HB3 LEU A 27 30.620 -10.660 13.040 1.00 1.00 H new ATOM 0 HG LEU A 27 32.512 -9.056 13.199 1.00 1.00 H new ATOM 0 HD11 LEU A 27 32.178 -6.677 12.613 1.00 1.00 H new ATOM 0 HD12 LEU A 27 32.012 -7.721 11.181 1.00 1.00 H new ATOM 0 HD13 LEU A 27 30.562 -7.059 11.973 1.00 1.00 H new ATOM 0 HD21 LEU A 27 31.469 -7.515 14.861 1.00 1.00 H new ATOM 0 HD22 LEU A 27 29.858 -7.924 14.223 1.00 1.00 H new ATOM 0 HD23 LEU A 27 30.834 -9.168 15.040 1.00 1.00 H new ATOM 407 N SER A 28 32.878 -11.763 11.641 1.00 1.00 N ATOM 408 CA SER A 28 34.237 -12.256 11.790 1.00 1.00 C ATOM 409 C SER A 28 34.899 -12.271 10.420 1.00 1.00 C ATOM 410 O SER A 28 36.113 -12.126 10.294 1.00 1.00 O ATOM 411 CB SER A 28 34.235 -13.665 12.384 1.00 1.00 C ATOM 412 OG SER A 28 33.868 -13.600 13.757 1.00 1.00 O ATOM 0 H SER A 28 32.149 -12.406 11.951 1.00 1.00 H new ATOM 0 HA SER A 28 34.789 -11.604 12.467 1.00 1.00 H new ATOM 0 HB2 SER A 28 33.536 -14.300 11.839 1.00 1.00 H new ATOM 0 HB3 SER A 28 35.222 -14.116 12.281 1.00 1.00 H new ATOM 0 HG SER A 28 33.865 -14.503 14.138 1.00 1.00 H new ATOM 418 N SER A 29 34.074 -12.442 9.396 1.00 1.00 N ATOM 419 CA SER A 29 34.589 -12.467 8.023 1.00 1.00 C ATOM 420 C SER A 29 35.036 -11.072 7.565 1.00 1.00 C ATOM 421 O SER A 29 35.452 -10.894 6.422 1.00 1.00 O ATOM 422 CB SER A 29 33.546 -13.013 7.047 1.00 1.00 C ATOM 423 OG SER A 29 34.202 -13.406 5.847 1.00 1.00 O ATOM 0 H SER A 29 33.065 -12.564 9.480 1.00 1.00 H new ATOM 0 HA SER A 29 35.454 -13.130 8.024 1.00 1.00 H new ATOM 0 HB2 SER A 29 33.025 -13.863 7.488 1.00 1.00 H new ATOM 0 HB3 SER A 29 32.794 -12.253 6.834 1.00 1.00 H new ATOM 0 HG SER A 29 34.844 -12.714 5.584 1.00 1.00 H new ATOM 429 N VAL A 30 34.936 -10.081 8.451 1.00 1.00 N ATOM 430 CA VAL A 30 35.322 -8.703 8.103 1.00 1.00 C ATOM 431 C VAL A 30 36.770 -8.609 7.599 1.00 1.00 C ATOM 432 O VAL A 30 37.247 -7.520 7.290 1.00 1.00 O ATOM 433 CB VAL A 30 35.152 -7.784 9.320 1.00 1.00 C ATOM 434 CG1 VAL A 30 36.016 -8.302 10.476 1.00 1.00 C ATOM 435 CG2 VAL A 30 35.586 -6.347 8.960 1.00 1.00 C ATOM 0 H VAL A 30 34.596 -10.198 9.405 1.00 1.00 H new ATOM 0 HA VAL A 30 34.665 -8.385 7.294 1.00 1.00 H new ATOM 0 HB VAL A 30 34.104 -7.778 9.619 1.00 1.00 H new ATOM 0 HG11 VAL A 30 35.896 -7.650 11.341 1.00 1.00 H new ATOM 0 HG12 VAL A 30 35.705 -9.313 10.738 1.00 1.00 H new ATOM 0 HG13 VAL A 30 37.063 -8.312 10.172 1.00 1.00 H new ATOM 0 HG21 VAL A 30 35.462 -5.701 9.829 1.00 1.00 H new ATOM 0 HG22 VAL A 30 36.632 -6.349 8.655 1.00 1.00 H new ATOM 0 HG23 VAL A 30 34.970 -5.975 8.141 1.00 1.00 H new ATOM 445 N GLN A 31 37.462 -9.745 7.525 1.00 1.00 N ATOM 446 CA GLN A 31 38.861 -9.770 7.058 1.00 1.00 C ATOM 447 C GLN A 31 39.045 -8.894 5.825 1.00 1.00 C ATOM 448 O GLN A 31 40.172 -8.559 5.455 1.00 1.00 O ATOM 449 CB GLN A 31 39.263 -11.216 6.737 1.00 1.00 C ATOM 450 CG GLN A 31 40.734 -11.291 6.325 1.00 1.00 C ATOM 451 CD GLN A 31 41.143 -12.754 6.177 1.00 1.00 C ATOM 452 OE1 GLN A 31 40.439 -13.642 6.653 1.00 1.00 O ATOM 453 NE2 GLN A 31 42.241 -13.062 5.539 1.00 1.00 N ATOM 0 H GLN A 31 37.086 -10.659 7.779 1.00 1.00 H new ATOM 0 HA GLN A 31 39.499 -9.375 7.849 1.00 1.00 H new ATOM 0 HB2 GLN A 31 39.092 -11.848 7.608 1.00 1.00 H new ATOM 0 HB3 GLN A 31 38.635 -11.603 5.934 1.00 1.00 H new ATOM 0 HG2 GLN A 31 40.887 -10.762 5.385 1.00 1.00 H new ATOM 0 HG3 GLN A 31 41.358 -10.801 7.072 1.00 1.00 H new ATOM 0 HE21 GLN A 31 42.825 -12.325 5.144 1.00 1.00 H new ATOM 0 HE22 GLN A 31 42.514 -14.039 5.436 1.00 1.00 H new ATOM 462 N GLU A 32 37.945 -8.488 5.218 1.00 1.00 N ATOM 463 CA GLU A 32 38.018 -7.616 4.065 1.00 1.00 C ATOM 464 C GLU A 32 38.379 -6.211 4.530 1.00 1.00 C ATOM 465 O GLU A 32 38.598 -5.313 3.717 1.00 1.00 O ATOM 466 CB GLU A 32 36.676 -7.604 3.333 1.00 1.00 C ATOM 467 CG GLU A 32 36.438 -8.971 2.689 1.00 1.00 C ATOM 468 CD GLU A 32 35.056 -9.010 2.050 1.00 1.00 C ATOM 469 OE1 GLU A 32 34.352 -8.020 2.151 1.00 1.00 O ATOM 470 OE2 GLU A 32 34.723 -10.029 1.468 1.00 1.00 O ATOM 0 H GLU A 32 37.000 -8.746 5.502 1.00 1.00 H new ATOM 0 HA GLU A 32 38.782 -7.978 3.377 1.00 1.00 H new ATOM 0 HB2 GLU A 32 35.871 -7.373 4.030 1.00 1.00 H new ATOM 0 HB3 GLU A 32 36.672 -6.825 2.571 1.00 1.00 H new ATOM 0 HG2 GLU A 32 37.202 -9.166 1.936 1.00 1.00 H new ATOM 0 HG3 GLU A 32 36.523 -9.756 3.440 1.00 1.00 H new ATOM 477 N SER A 33 38.455 -6.035 5.852 1.00 1.00 N ATOM 478 CA SER A 33 38.811 -4.742 6.421 1.00 1.00 C ATOM 479 C SER A 33 40.198 -4.337 5.956 1.00 1.00 C ATOM 480 O SER A 33 40.578 -3.170 6.044 1.00 1.00 O ATOM 481 CB SER A 33 38.754 -4.784 7.958 1.00 1.00 C ATOM 482 OG SER A 33 37.521 -4.228 8.392 1.00 1.00 O ATOM 0 H SER A 33 38.276 -6.767 6.539 1.00 1.00 H new ATOM 0 HA SER A 33 38.089 -4.002 6.076 1.00 1.00 H new ATOM 0 HB2 SER A 33 38.848 -5.811 8.310 1.00 1.00 H new ATOM 0 HB3 SER A 33 39.588 -4.225 8.381 1.00 1.00 H new ATOM 0 HG SER A 33 37.477 -4.253 9.371 1.00 1.00 H new ATOM 488 N GLN A 34 40.957 -5.306 5.471 1.00 1.00 N ATOM 489 CA GLN A 34 42.303 -5.012 5.011 1.00 1.00 C ATOM 490 C GLN A 34 42.265 -3.899 3.966 1.00 1.00 C ATOM 491 O GLN A 34 43.300 -3.343 3.605 1.00 1.00 O ATOM 492 CB GLN A 34 42.946 -6.266 4.423 1.00 1.00 C ATOM 493 CG GLN A 34 43.226 -7.262 5.550 1.00 1.00 C ATOM 494 CD GLN A 34 43.816 -8.545 4.977 1.00 1.00 C ATOM 495 OE1 GLN A 34 45.028 -8.642 4.787 1.00 1.00 O ATOM 496 NE2 GLN A 34 43.024 -9.541 4.690 1.00 1.00 N ATOM 0 H GLN A 34 40.672 -6.282 5.387 1.00 1.00 H new ATOM 0 HA GLN A 34 42.901 -4.680 5.860 1.00 1.00 H new ATOM 0 HB2 GLN A 34 42.285 -6.714 3.681 1.00 1.00 H new ATOM 0 HB3 GLN A 34 43.873 -6.008 3.911 1.00 1.00 H new ATOM 0 HG2 GLN A 34 43.917 -6.824 6.270 1.00 1.00 H new ATOM 0 HG3 GLN A 34 42.304 -7.484 6.087 1.00 1.00 H new ATOM 0 HE21 GLN A 34 42.020 -9.456 4.849 1.00 1.00 H new ATOM 0 HE22 GLN A 34 43.409 -10.404 4.307 1.00 1.00 H new ATOM 505 N VAL A 35 41.062 -3.582 3.478 1.00 1.00 N ATOM 506 CA VAL A 35 40.895 -2.531 2.469 1.00 1.00 C ATOM 507 C VAL A 35 41.677 -1.267 2.844 1.00 1.00 C ATOM 508 O VAL A 35 41.812 -0.353 2.037 1.00 1.00 O ATOM 509 CB VAL A 35 39.403 -2.198 2.305 1.00 1.00 C ATOM 510 CG1 VAL A 35 38.873 -1.537 3.581 1.00 1.00 C ATOM 511 CG2 VAL A 35 39.211 -1.245 1.120 1.00 1.00 C ATOM 0 H VAL A 35 40.194 -4.035 3.763 1.00 1.00 H new ATOM 0 HA VAL A 35 41.291 -2.902 1.524 1.00 1.00 H new ATOM 0 HB VAL A 35 38.853 -3.121 2.121 1.00 1.00 H new ATOM 0 HG11 VAL A 35 37.815 -1.304 3.458 1.00 1.00 H new ATOM 0 HG12 VAL A 35 38.999 -2.218 4.423 1.00 1.00 H new ATOM 0 HG13 VAL A 35 39.427 -0.618 3.772 1.00 1.00 H new ATOM 0 HG21 VAL A 35 38.152 -1.012 1.008 1.00 1.00 H new ATOM 0 HG22 VAL A 35 39.768 -0.325 1.299 1.00 1.00 H new ATOM 0 HG23 VAL A 35 39.576 -1.719 0.209 1.00 1.00 H new ATOM 521 N ALA A 36 42.238 -1.236 4.052 1.00 1.00 N ATOM 522 CA ALA A 36 43.047 -0.088 4.471 1.00 1.00 C ATOM 523 C ALA A 36 44.016 0.272 3.352 1.00 1.00 C ATOM 524 O ALA A 36 43.934 1.355 2.771 1.00 1.00 O ATOM 525 CB ALA A 36 43.830 -0.434 5.740 1.00 1.00 C ATOM 0 H ALA A 36 42.151 -1.977 4.748 1.00 1.00 H new ATOM 0 HA ALA A 36 42.394 0.759 4.681 1.00 1.00 H new ATOM 0 HB1 ALA A 36 44.428 0.425 6.044 1.00 1.00 H new ATOM 0 HB2 ALA A 36 43.134 -0.692 6.538 1.00 1.00 H new ATOM 0 HB3 ALA A 36 44.486 -1.282 5.543 1.00 1.00 H new ATOM 531 N GLN A 37 44.950 -0.638 3.073 1.00 1.00 N ATOM 532 CA GLN A 37 45.947 -0.393 2.032 1.00 1.00 C ATOM 533 C GLN A 37 45.291 0.297 0.834 1.00 1.00 C ATOM 534 O GLN A 37 45.881 1.194 0.232 1.00 1.00 O ATOM 535 CB GLN A 37 46.611 -1.705 1.592 1.00 1.00 C ATOM 536 CG GLN A 37 47.490 -2.239 2.730 1.00 1.00 C ATOM 537 CD GLN A 37 48.121 -3.567 2.325 1.00 1.00 C ATOM 538 OE1 GLN A 37 47.949 -4.016 1.192 1.00 1.00 O ATOM 539 NE2 GLN A 37 48.847 -4.225 3.187 1.00 1.00 N ATOM 0 H GLN A 37 45.037 -1.538 3.545 1.00 1.00 H new ATOM 0 HA GLN A 37 46.720 0.259 2.440 1.00 1.00 H new ATOM 0 HB2 GLN A 37 45.850 -2.440 1.330 1.00 1.00 H new ATOM 0 HB3 GLN A 37 47.214 -1.539 0.699 1.00 1.00 H new ATOM 0 HG2 GLN A 37 48.269 -1.515 2.969 1.00 1.00 H new ATOM 0 HG3 GLN A 37 46.891 -2.372 3.631 1.00 1.00 H new ATOM 0 HE21 GLN A 37 48.988 -3.851 4.125 1.00 1.00 H new ATOM 0 HE22 GLN A 37 49.273 -5.113 2.922 1.00 1.00 H new ATOM 548 N GLN A 38 44.060 -0.106 0.504 1.00 1.00 N ATOM 549 CA GLN A 38 43.344 0.515 -0.610 1.00 1.00 C ATOM 550 C GLN A 38 43.145 1.989 -0.271 1.00 1.00 C ATOM 551 O GLN A 38 43.616 2.872 -0.978 1.00 1.00 O ATOM 552 CB GLN A 38 41.975 -0.167 -0.794 1.00 1.00 C ATOM 553 CG GLN A 38 41.459 0.038 -2.216 1.00 1.00 C ATOM 554 CD GLN A 38 40.065 -0.570 -2.331 1.00 1.00 C ATOM 555 OE1 GLN A 38 39.141 -0.137 -1.643 1.00 1.00 O ATOM 556 NE2 GLN A 38 39.859 -1.558 -3.155 1.00 1.00 N ATOM 0 H GLN A 38 43.548 -0.846 0.984 1.00 1.00 H new ATOM 0 HA GLN A 38 43.911 0.409 -1.535 1.00 1.00 H new ATOM 0 HB2 GLN A 38 42.062 -1.233 -0.583 1.00 1.00 H new ATOM 0 HB3 GLN A 38 41.260 0.242 -0.080 1.00 1.00 H new ATOM 0 HG2 GLN A 38 41.427 1.101 -2.455 1.00 1.00 H new ATOM 0 HG3 GLN A 38 42.134 -0.430 -2.933 1.00 1.00 H new ATOM 0 HE21 GLN A 38 40.626 -1.916 -3.724 1.00 1.00 H new ATOM 0 HE22 GLN A 38 38.931 -1.974 -3.231 1.00 1.00 H new ATOM 565 N ALA A 39 42.458 2.243 0.837 1.00 1.00 N ATOM 566 CA ALA A 39 42.242 3.618 1.272 1.00 1.00 C ATOM 567 C ALA A 39 43.578 4.344 1.220 1.00 1.00 C ATOM 568 O ALA A 39 43.723 5.363 0.548 1.00 1.00 O ATOM 569 CB ALA A 39 41.678 3.658 2.693 1.00 1.00 C ATOM 0 H ALA A 39 42.048 1.530 1.441 1.00 1.00 H new ATOM 0 HA ALA A 39 41.519 4.102 0.616 1.00 1.00 H new ATOM 0 HB1 ALA A 39 41.526 4.694 2.995 1.00 1.00 H new ATOM 0 HB2 ALA A 39 40.726 3.128 2.722 1.00 1.00 H new ATOM 0 HB3 ALA A 39 42.380 3.180 3.377 1.00 1.00 H new ATOM 575 N ARG A 40 44.561 3.784 1.924 1.00 1.00 N ATOM 576 CA ARG A 40 45.910 4.361 1.942 1.00 1.00 C ATOM 577 C ARG A 40 46.461 4.442 0.519 1.00 1.00 C ATOM 578 O ARG A 40 47.516 5.014 0.266 1.00 1.00 O ATOM 579 CB ARG A 40 46.826 3.518 2.839 1.00 1.00 C ATOM 580 CG ARG A 40 48.097 4.295 3.189 1.00 1.00 C ATOM 581 CD ARG A 40 48.981 3.437 4.103 1.00 1.00 C ATOM 582 NE ARG A 40 48.277 3.127 5.343 1.00 1.00 N ATOM 583 CZ ARG A 40 48.231 3.995 6.348 1.00 1.00 C ATOM 584 NH1 ARG A 40 48.795 5.166 6.229 1.00 1.00 N ATOM 585 NH2 ARG A 40 47.617 3.676 7.456 1.00 1.00 N ATOM 0 H ARG A 40 44.453 2.939 2.485 1.00 1.00 H new ATOM 0 HA ARG A 40 45.867 5.371 2.349 1.00 1.00 H new ATOM 0 HB2 ARG A 40 46.298 3.243 3.752 1.00 1.00 H new ATOM 0 HB3 ARG A 40 47.088 2.590 2.331 1.00 1.00 H new ATOM 0 HG2 ARG A 40 48.639 4.556 2.280 1.00 1.00 H new ATOM 0 HG3 ARG A 40 47.840 5.230 3.686 1.00 1.00 H new ATOM 0 HD2 ARG A 40 49.256 2.514 3.592 1.00 1.00 H new ATOM 0 HD3 ARG A 40 49.908 3.966 4.325 1.00 1.00 H new ATOM 0 HE ARG A 40 47.810 2.225 5.440 1.00 1.00 H new ATOM 0 HH11 ARG A 40 49.272 5.417 5.363 1.00 1.00 H new ATOM 0 HH12 ARG A 40 48.758 5.831 7.002 1.00 1.00 H new ATOM 0 HH21 ARG A 40 47.174 2.762 7.549 1.00 1.00 H new ATOM 0 HH22 ARG A 40 47.581 4.341 8.229 1.00 1.00 H new ATOM 599 N GLY A 41 45.685 3.888 -0.392 1.00 1.00 N ATOM 600 CA GLY A 41 46.016 3.920 -1.803 1.00 1.00 C ATOM 601 C GLY A 41 45.646 5.288 -2.378 1.00 1.00 C ATOM 602 O GLY A 41 46.492 6.005 -2.908 1.00 1.00 O ATOM 0 H GLY A 41 44.812 3.406 -0.177 1.00 1.00 H new ATOM 0 HA2 GLY A 41 47.080 3.730 -1.943 1.00 1.00 H new ATOM 0 HA3 GLY A 41 45.479 3.133 -2.332 1.00 1.00 H new ATOM 606 N TRP A 42 44.359 5.611 -2.297 1.00 1.00 N ATOM 607 CA TRP A 42 43.842 6.877 -2.850 1.00 1.00 C ATOM 608 C TRP A 42 44.759 8.056 -2.515 1.00 1.00 C ATOM 609 O TRP A 42 44.696 9.101 -3.161 1.00 1.00 O ATOM 610 CB TRP A 42 42.422 7.165 -2.321 1.00 1.00 C ATOM 611 CG TRP A 42 41.418 6.291 -3.018 1.00 1.00 C ATOM 612 CD1 TRP A 42 40.745 5.272 -2.438 1.00 1.00 C ATOM 613 CD2 TRP A 42 40.957 6.344 -4.404 1.00 1.00 C ATOM 614 NE1 TRP A 42 39.907 4.692 -3.374 1.00 1.00 N ATOM 615 CE2 TRP A 42 40.002 5.317 -4.600 1.00 1.00 C ATOM 616 CE3 TRP A 42 41.271 7.170 -5.500 1.00 1.00 C ATOM 617 CZ2 TRP A 42 39.381 5.117 -5.834 1.00 1.00 C ATOM 618 CZ3 TRP A 42 40.647 6.971 -6.744 1.00 1.00 C ATOM 619 CH2 TRP A 42 39.705 5.945 -6.911 1.00 1.00 C ATOM 0 H TRP A 42 43.651 5.023 -1.858 1.00 1.00 H new ATOM 0 HA TRP A 42 43.809 6.763 -3.933 1.00 1.00 H new ATOM 0 HB2 TRP A 42 42.384 6.988 -1.246 1.00 1.00 H new ATOM 0 HB3 TRP A 42 42.173 8.214 -2.480 1.00 1.00 H new ATOM 0 HD1 TRP A 42 40.845 4.960 -1.409 1.00 1.00 H new ATOM 0 HE1 TRP A 42 39.294 3.900 -3.181 1.00 1.00 H new ATOM 0 HE3 TRP A 42 41.996 7.962 -5.384 1.00 1.00 H new ATOM 0 HZ2 TRP A 42 38.655 4.327 -5.955 1.00 1.00 H new ATOM 0 HZ3 TRP A 42 40.895 7.612 -7.577 1.00 1.00 H new ATOM 0 HH2 TRP A 42 39.231 5.796 -7.870 1.00 1.00 H new ATOM 630 N VAL A 43 45.619 7.881 -1.522 1.00 1.00 N ATOM 631 CA VAL A 43 46.550 8.943 -1.143 1.00 1.00 C ATOM 632 C VAL A 43 47.458 9.299 -2.330 1.00 1.00 C ATOM 633 O VAL A 43 47.654 10.470 -2.659 1.00 1.00 O ATOM 634 CB VAL A 43 47.386 8.493 0.064 1.00 1.00 C ATOM 635 CG1 VAL A 43 48.451 7.489 -0.386 1.00 1.00 C ATOM 636 CG2 VAL A 43 48.065 9.704 0.704 1.00 1.00 C ATOM 0 H VAL A 43 45.695 7.027 -0.969 1.00 1.00 H new ATOM 0 HA VAL A 43 45.986 9.833 -0.865 1.00 1.00 H new ATOM 0 HB VAL A 43 46.729 8.019 0.794 1.00 1.00 H new ATOM 0 HG11 VAL A 43 49.041 7.174 0.475 1.00 1.00 H new ATOM 0 HG12 VAL A 43 47.967 6.620 -0.832 1.00 1.00 H new ATOM 0 HG13 VAL A 43 49.105 7.957 -1.122 1.00 1.00 H new ATOM 0 HG21 VAL A 43 48.657 9.379 1.560 1.00 1.00 H new ATOM 0 HG22 VAL A 43 48.716 10.184 -0.026 1.00 1.00 H new ATOM 0 HG23 VAL A 43 47.307 10.413 1.036 1.00 1.00 H new ATOM 646 N THR A 44 48.021 8.264 -2.942 1.00 1.00 N ATOM 647 CA THR A 44 48.924 8.454 -4.067 1.00 1.00 C ATOM 648 C THR A 44 48.193 9.156 -5.195 1.00 1.00 C ATOM 649 O THR A 44 48.751 10.027 -5.860 1.00 1.00 O ATOM 650 CB THR A 44 49.469 7.107 -4.553 1.00 1.00 C ATOM 651 OG1 THR A 44 48.387 6.230 -4.835 1.00 1.00 O ATOM 652 CG2 THR A 44 50.361 6.500 -3.468 1.00 1.00 C ATOM 0 H THR A 44 47.869 7.290 -2.679 1.00 1.00 H new ATOM 0 HA THR A 44 49.764 9.069 -3.743 1.00 1.00 H new ATOM 0 HB THR A 44 50.055 7.255 -5.460 1.00 1.00 H new ATOM 0 HG1 THR A 44 47.844 6.111 -4.028 1.00 1.00 H new ATOM 0 HG21 THR A 44 50.750 5.541 -3.811 1.00 1.00 H new ATOM 0 HG22 THR A 44 51.191 7.175 -3.260 1.00 1.00 H new ATOM 0 HG23 THR A 44 49.778 6.351 -2.559 1.00 1.00 H new ATOM 660 N ASP A 45 46.938 8.782 -5.402 1.00 1.00 N ATOM 661 CA ASP A 45 46.140 9.393 -6.450 1.00 1.00 C ATOM 662 C ASP A 45 45.684 10.790 -6.033 1.00 1.00 C ATOM 663 O ASP A 45 44.812 11.380 -6.669 1.00 1.00 O ATOM 664 CB ASP A 45 44.917 8.523 -6.746 1.00 1.00 C ATOM 665 CG ASP A 45 45.344 7.248 -7.465 1.00 1.00 C ATOM 666 OD1 ASP A 45 46.467 7.204 -7.936 1.00 1.00 O ATOM 667 OD2 ASP A 45 44.538 6.332 -7.535 1.00 1.00 O ATOM 0 H ASP A 45 46.455 8.064 -4.862 1.00 1.00 H new ATOM 0 HA ASP A 45 46.754 9.477 -7.347 1.00 1.00 H new ATOM 0 HB2 ASP A 45 44.406 8.272 -5.817 1.00 1.00 H new ATOM 0 HB3 ASP A 45 44.207 9.076 -7.361 1.00 1.00 H new ATOM 672 N GLY A 46 46.293 11.321 -4.974 1.00 1.00 N ATOM 673 CA GLY A 46 45.938 12.662 -4.514 1.00 1.00 C ATOM 674 C GLY A 46 44.493 12.707 -4.027 1.00 1.00 C ATOM 675 O GLY A 46 43.712 13.547 -4.472 1.00 1.00 O ATOM 0 H GLY A 46 47.019 10.856 -4.429 1.00 1.00 H new ATOM 0 HA2 GLY A 46 46.607 12.963 -3.708 1.00 1.00 H new ATOM 0 HA3 GLY A 46 46.075 13.377 -5.325 1.00 1.00 H new ATOM 679 N PHE A 47 44.145 11.826 -3.091 1.00 1.00 N ATOM 680 CA PHE A 47 42.793 11.810 -2.540 1.00 1.00 C ATOM 681 C PHE A 47 42.342 13.221 -2.157 1.00 1.00 C ATOM 682 O PHE A 47 41.147 13.494 -2.047 1.00 1.00 O ATOM 683 CB PHE A 47 42.740 10.885 -1.310 1.00 1.00 C ATOM 684 CG PHE A 47 43.236 11.613 -0.074 1.00 1.00 C ATOM 685 CD1 PHE A 47 44.540 12.122 -0.040 1.00 1.00 C ATOM 686 CD2 PHE A 47 42.394 11.772 1.037 1.00 1.00 C ATOM 687 CE1 PHE A 47 45.003 12.787 1.100 1.00 1.00 C ATOM 688 CE2 PHE A 47 42.858 12.440 2.176 1.00 1.00 C ATOM 689 CZ PHE A 47 44.163 12.947 2.208 1.00 1.00 C ATOM 0 H PHE A 47 44.773 11.122 -2.702 1.00 1.00 H new ATOM 0 HA PHE A 47 42.114 11.432 -3.304 1.00 1.00 H new ATOM 0 HB2 PHE A 47 41.718 10.541 -1.151 1.00 1.00 H new ATOM 0 HB3 PHE A 47 43.351 10.000 -1.487 1.00 1.00 H new ATOM 0 HD1 PHE A 47 45.189 12.001 -0.895 1.00 1.00 H new ATOM 0 HD2 PHE A 47 41.388 11.379 1.013 1.00 1.00 H new ATOM 0 HE1 PHE A 47 46.010 13.177 1.125 1.00 1.00 H new ATOM 0 HE2 PHE A 47 42.209 12.565 3.031 1.00 1.00 H new ATOM 0 HZ PHE A 47 44.521 13.461 3.088 1.00 1.00 H new ATOM 699 N SER A 48 43.313 14.102 -1.931 1.00 1.00 N ATOM 700 CA SER A 48 43.009 15.469 -1.528 1.00 1.00 C ATOM 701 C SER A 48 41.915 16.058 -2.399 1.00 1.00 C ATOM 702 O SER A 48 41.198 16.964 -1.973 1.00 1.00 O ATOM 703 CB SER A 48 44.257 16.345 -1.617 1.00 1.00 C ATOM 704 OG SER A 48 45.190 15.936 -0.628 1.00 1.00 O ATOM 0 H SER A 48 44.308 13.895 -2.019 1.00 1.00 H new ATOM 0 HA SER A 48 42.663 15.442 -0.495 1.00 1.00 H new ATOM 0 HB2 SER A 48 44.702 16.264 -2.609 1.00 1.00 H new ATOM 0 HB3 SER A 48 43.991 17.392 -1.472 1.00 1.00 H new ATOM 0 HG SER A 48 44.926 15.063 -0.270 1.00 1.00 H new ATOM 710 N SER A 49 41.795 15.568 -3.626 1.00 1.00 N ATOM 711 CA SER A 49 40.794 16.087 -4.542 1.00 1.00 C ATOM 712 C SER A 49 39.417 16.052 -3.899 1.00 1.00 C ATOM 713 O SER A 49 38.463 16.627 -4.427 1.00 1.00 O ATOM 714 CB SER A 49 40.780 15.238 -5.811 1.00 1.00 C ATOM 715 OG SER A 49 40.408 13.907 -5.478 1.00 1.00 O ATOM 0 H SER A 49 42.374 14.819 -4.005 1.00 1.00 H new ATOM 0 HA SER A 49 41.043 17.119 -4.787 1.00 1.00 H new ATOM 0 HB2 SER A 49 40.079 15.654 -6.534 1.00 1.00 H new ATOM 0 HB3 SER A 49 41.764 15.247 -6.280 1.00 1.00 H new ATOM 0 HG SER A 49 40.396 13.358 -6.290 1.00 1.00 H new ATOM 721 N LEU A 50 39.318 15.404 -2.743 1.00 1.00 N ATOM 722 CA LEU A 50 38.053 15.350 -2.023 1.00 1.00 C ATOM 723 C LEU A 50 37.870 16.636 -1.216 1.00 1.00 C ATOM 724 O LEU A 50 36.751 17.101 -1.020 1.00 1.00 O ATOM 725 CB LEU A 50 38.022 14.146 -1.080 1.00 1.00 C ATOM 726 CG LEU A 50 38.038 12.838 -1.882 1.00 1.00 C ATOM 727 CD1 LEU A 50 38.159 11.666 -0.905 1.00 1.00 C ATOM 728 CD2 LEU A 50 36.740 12.694 -2.704 1.00 1.00 C ATOM 0 H LEU A 50 40.089 14.914 -2.290 1.00 1.00 H new ATOM 0 HA LEU A 50 37.243 15.249 -2.745 1.00 1.00 H new ATOM 0 HB2 LEU A 50 38.880 14.179 -0.409 1.00 1.00 H new ATOM 0 HB3 LEU A 50 37.129 14.187 -0.457 1.00 1.00 H new ATOM 0 HG LEU A 50 38.884 12.845 -2.570 1.00 1.00 H new ATOM 0 HD11 LEU A 50 38.172 10.729 -1.461 1.00 1.00 H new ATOM 0 HD12 LEU A 50 39.083 11.762 -0.334 1.00 1.00 H new ATOM 0 HD13 LEU A 50 37.309 11.672 -0.223 1.00 1.00 H new ATOM 0 HD21 LEU A 50 36.767 11.761 -3.267 1.00 1.00 H new ATOM 0 HD22 LEU A 50 35.882 12.687 -2.031 1.00 1.00 H new ATOM 0 HD23 LEU A 50 36.652 13.532 -3.395 1.00 1.00 H new ATOM 740 N LYS A 51 38.990 17.201 -0.752 1.00 1.00 N ATOM 741 CA LYS A 51 38.963 18.435 0.036 1.00 1.00 C ATOM 742 C LYS A 51 38.244 19.543 -0.724 1.00 1.00 C ATOM 743 O LYS A 51 37.142 19.939 -0.359 1.00 1.00 O ATOM 744 CB LYS A 51 40.395 18.881 0.359 1.00 1.00 C ATOM 745 CG LYS A 51 40.382 19.892 1.510 1.00 1.00 C ATOM 746 CD LYS A 51 41.820 20.215 1.927 1.00 1.00 C ATOM 747 CE LYS A 51 42.570 20.882 0.764 1.00 1.00 C ATOM 748 NZ LYS A 51 43.150 19.831 -0.119 1.00 1.00 N ATOM 0 H LYS A 51 39.924 16.823 -0.909 1.00 1.00 H new ATOM 0 HA LYS A 51 38.424 18.239 0.963 1.00 1.00 H new ATOM 0 HB2 LYS A 51 41.001 18.017 0.630 1.00 1.00 H new ATOM 0 HB3 LYS A 51 40.853 19.328 -0.523 1.00 1.00 H new ATOM 0 HG2 LYS A 51 39.869 20.803 1.201 1.00 1.00 H new ATOM 0 HG3 LYS A 51 39.829 19.486 2.357 1.00 1.00 H new ATOM 0 HD2 LYS A 51 41.816 20.876 2.794 1.00 1.00 H new ATOM 0 HD3 LYS A 51 42.334 19.301 2.225 1.00 1.00 H new ATOM 0 HE2 LYS A 51 41.890 21.516 0.195 1.00 1.00 H new ATOM 0 HE3 LYS A 51 43.361 21.526 1.149 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 44.180 19.959 -0.181 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 42.941 18.892 0.276 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 42.734 19.908 -1.069 1.00 1.00 H new ATOM 762 N ASP A 52 38.882 20.043 -1.778 1.00 1.00 N ATOM 763 CA ASP A 52 38.283 21.114 -2.577 1.00 1.00 C ATOM 764 C ASP A 52 36.797 20.825 -2.786 1.00 1.00 C ATOM 765 O ASP A 52 35.942 21.642 -2.447 1.00 1.00 O ATOM 766 CB ASP A 52 38.985 21.226 -3.932 1.00 1.00 C ATOM 767 CG ASP A 52 38.989 19.870 -4.622 1.00 1.00 C ATOM 768 OD1 ASP A 52 38.723 18.891 -3.947 1.00 1.00 O ATOM 769 OD2 ASP A 52 39.257 19.827 -5.811 1.00 1.00 O ATOM 0 H ASP A 52 39.799 19.732 -2.098 1.00 1.00 H new ATOM 0 HA ASP A 52 38.400 22.059 -2.046 1.00 1.00 H new ATOM 0 HB2 ASP A 52 38.476 21.961 -4.556 1.00 1.00 H new ATOM 0 HB3 ASP A 52 40.007 21.578 -3.795 1.00 1.00 H new ATOM 774 N TYR A 53 36.501 19.662 -3.353 1.00 1.00 N ATOM 775 CA TYR A 53 35.117 19.283 -3.609 1.00 1.00 C ATOM 776 C TYR A 53 34.330 19.225 -2.299 1.00 1.00 C ATOM 777 O TYR A 53 33.200 19.707 -2.227 1.00 1.00 O ATOM 778 CB TYR A 53 35.069 17.919 -4.307 1.00 1.00 C ATOM 779 CG TYR A 53 33.633 17.502 -4.528 1.00 1.00 C ATOM 780 CD1 TYR A 53 32.898 18.069 -5.576 1.00 1.00 C ATOM 781 CD2 TYR A 53 33.040 16.547 -3.693 1.00 1.00 C ATOM 782 CE1 TYR A 53 31.570 17.681 -5.790 1.00 1.00 C ATOM 783 CE2 TYR A 53 31.712 16.157 -3.909 1.00 1.00 C ATOM 784 CZ TYR A 53 30.977 16.724 -4.958 1.00 1.00 C ATOM 785 OH TYR A 53 29.669 16.341 -5.172 1.00 1.00 O ATOM 0 H TYR A 53 37.193 18.971 -3.642 1.00 1.00 H new ATOM 0 HA TYR A 53 34.664 20.033 -4.257 1.00 1.00 H new ATOM 0 HB2 TYR A 53 35.592 17.971 -5.262 1.00 1.00 H new ATOM 0 HB3 TYR A 53 35.584 17.173 -3.702 1.00 1.00 H new ATOM 0 HD1 TYR A 53 33.356 18.806 -6.219 1.00 1.00 H new ATOM 0 HD2 TYR A 53 33.606 16.111 -2.883 1.00 1.00 H new ATOM 0 HE1 TYR A 53 31.003 18.120 -6.597 1.00 1.00 H new ATOM 0 HE2 TYR A 53 31.255 15.419 -3.267 1.00 1.00 H new ATOM 0 HH TYR A 53 29.412 15.668 -4.507 1.00 1.00 H new ATOM 795 N TRP A 54 34.924 18.639 -1.263 1.00 1.00 N ATOM 796 CA TRP A 54 34.251 18.547 0.029 1.00 1.00 C ATOM 797 C TRP A 54 34.081 19.940 0.638 1.00 1.00 C ATOM 798 O TRP A 54 32.974 20.354 0.979 1.00 1.00 O ATOM 799 CB TRP A 54 35.079 17.665 0.970 1.00 1.00 C ATOM 800 CG TRP A 54 34.482 17.674 2.338 1.00 1.00 C ATOM 801 CD1 TRP A 54 33.250 17.215 2.650 1.00 1.00 C ATOM 802 CD2 TRP A 54 35.073 18.143 3.584 1.00 1.00 C ATOM 803 NE1 TRP A 54 33.043 17.378 4.008 1.00 1.00 N ATOM 804 CE2 TRP A 54 34.138 17.944 4.627 1.00 1.00 C ATOM 805 CE3 TRP A 54 36.314 18.718 3.907 1.00 1.00 C ATOM 806 CZ2 TRP A 54 34.426 18.303 5.946 1.00 1.00 C ATOM 807 CZ3 TRP A 54 36.608 19.081 5.232 1.00 1.00 C ATOM 808 CH2 TRP A 54 35.665 18.873 6.249 1.00 1.00 C ATOM 0 H TRP A 54 35.856 18.226 -1.291 1.00 1.00 H new ATOM 0 HA TRP A 54 33.264 18.106 -0.112 1.00 1.00 H new ATOM 0 HB2 TRP A 54 35.115 16.645 0.587 1.00 1.00 H new ATOM 0 HB3 TRP A 54 36.106 18.027 1.011 1.00 1.00 H new ATOM 0 HD1 TRP A 54 32.543 16.790 1.953 1.00 1.00 H new ATOM 0 HE1 TRP A 54 32.186 17.112 4.492 1.00 1.00 H new ATOM 0 HE3 TRP A 54 37.047 18.882 3.131 1.00 1.00 H new ATOM 0 HZ2 TRP A 54 33.696 18.141 6.726 1.00 1.00 H new ATOM 0 HZ3 TRP A 54 37.565 19.522 5.469 1.00 1.00 H new ATOM 0 HH2 TRP A 54 35.896 19.153 7.266 1.00 1.00 H new ATOM 819 N SER A 55 35.194 20.655 0.770 1.00 1.00 N ATOM 820 CA SER A 55 35.180 22.000 1.337 1.00 1.00 C ATOM 821 C SER A 55 34.110 22.852 0.664 1.00 1.00 C ATOM 822 O SER A 55 33.485 23.700 1.300 1.00 1.00 O ATOM 823 CB SER A 55 36.549 22.655 1.158 1.00 1.00 C ATOM 824 OG SER A 55 36.434 24.053 1.379 1.00 1.00 O ATOM 0 H SER A 55 36.118 20.325 0.492 1.00 1.00 H new ATOM 0 HA SER A 55 34.952 21.926 2.400 1.00 1.00 H new ATOM 0 HB2 SER A 55 37.266 22.223 1.856 1.00 1.00 H new ATOM 0 HB3 SER A 55 36.928 22.464 0.154 1.00 1.00 H new ATOM 0 HG SER A 55 37.311 24.475 1.266 1.00 1.00 H new ATOM 830 N THR A 56 33.895 22.605 -0.623 1.00 1.00 N ATOM 831 CA THR A 56 32.880 23.346 -1.361 1.00 1.00 C ATOM 832 C THR A 56 31.486 22.836 -0.989 1.00 1.00 C ATOM 833 O THR A 56 30.761 23.490 -0.241 1.00 1.00 O ATOM 834 CB THR A 56 33.111 23.203 -2.868 1.00 1.00 C ATOM 835 OG1 THR A 56 33.343 21.841 -3.184 1.00 1.00 O ATOM 836 CG2 THR A 56 34.324 24.039 -3.286 1.00 1.00 C ATOM 0 H THR A 56 34.401 21.909 -1.170 1.00 1.00 H new ATOM 0 HA THR A 56 32.952 24.401 -1.096 1.00 1.00 H new ATOM 0 HB THR A 56 32.229 23.555 -3.403 1.00 1.00 H new ATOM 0 HG1 THR A 56 33.326 21.307 -2.362 1.00 1.00 H new ATOM 0 HG21 THR A 56 34.485 23.935 -4.359 1.00 1.00 H new ATOM 0 HG22 THR A 56 34.144 25.087 -3.046 1.00 1.00 H new ATOM 0 HG23 THR A 56 35.208 23.691 -2.751 1.00 1.00 H new ATOM 844 N VAL A 57 31.114 21.670 -1.526 1.00 1.00 N ATOM 845 CA VAL A 57 29.793 21.088 -1.254 1.00 1.00 C ATOM 846 C VAL A 57 29.374 21.328 0.194 1.00 1.00 C ATOM 847 O VAL A 57 28.398 22.030 0.456 1.00 1.00 O ATOM 848 CB VAL A 57 29.806 19.581 -1.542 1.00 1.00 C ATOM 849 CG1 VAL A 57 28.472 18.956 -1.113 1.00 1.00 C ATOM 850 CG2 VAL A 57 30.010 19.349 -3.041 1.00 1.00 C ATOM 0 H VAL A 57 31.702 21.113 -2.146 1.00 1.00 H new ATOM 0 HA VAL A 57 29.072 21.576 -1.910 1.00 1.00 H new ATOM 0 HB VAL A 57 30.619 19.119 -0.983 1.00 1.00 H new ATOM 0 HG11 VAL A 57 28.488 17.886 -1.320 1.00 1.00 H new ATOM 0 HG12 VAL A 57 28.322 19.117 -0.045 1.00 1.00 H new ATOM 0 HG13 VAL A 57 27.657 19.421 -1.668 1.00 1.00 H new ATOM 0 HG21 VAL A 57 30.019 18.278 -3.246 1.00 1.00 H new ATOM 0 HG22 VAL A 57 29.197 19.817 -3.596 1.00 1.00 H new ATOM 0 HG23 VAL A 57 30.959 19.786 -3.351 1.00 1.00 H new ATOM 860 N LYS A 58 30.112 20.743 1.129 1.00 1.00 N ATOM 861 CA LYS A 58 29.797 20.910 2.544 1.00 1.00 C ATOM 862 C LYS A 58 29.490 22.372 2.855 1.00 1.00 C ATOM 863 O LYS A 58 28.400 22.703 3.314 1.00 1.00 O ATOM 864 CB LYS A 58 30.975 20.435 3.391 1.00 1.00 C ATOM 865 CG LYS A 58 30.631 20.573 4.872 1.00 1.00 C ATOM 866 CD LYS A 58 31.759 19.976 5.708 1.00 1.00 C ATOM 867 CE LYS A 58 31.410 20.095 7.190 1.00 1.00 C ATOM 868 NZ LYS A 58 31.429 21.532 7.585 1.00 1.00 N ATOM 0 H LYS A 58 30.923 20.155 0.938 1.00 1.00 H new ATOM 0 HA LYS A 58 28.916 20.313 2.780 1.00 1.00 H new ATOM 0 HB2 LYS A 58 31.208 19.396 3.157 1.00 1.00 H new ATOM 0 HB3 LYS A 58 31.863 21.022 3.158 1.00 1.00 H new ATOM 0 HG2 LYS A 58 30.489 21.623 5.128 1.00 1.00 H new ATOM 0 HG3 LYS A 58 29.693 20.062 5.089 1.00 1.00 H new ATOM 0 HD2 LYS A 58 31.910 18.930 5.441 1.00 1.00 H new ATOM 0 HD3 LYS A 58 32.694 20.496 5.501 1.00 1.00 H new ATOM 0 HE2 LYS A 58 30.426 19.667 7.379 1.00 1.00 H new ATOM 0 HE3 LYS A 58 32.124 19.531 7.790 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 31.497 21.607 8.620 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 32.249 22.001 7.149 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 30.554 21.992 7.262 1.00 1.00 H new ATOM 882 N ASP A 59 30.459 23.244 2.602 1.00 1.00 N ATOM 883 CA ASP A 59 30.271 24.665 2.859 1.00 1.00 C ATOM 884 C ASP A 59 29.087 25.194 2.063 1.00 1.00 C ATOM 885 O ASP A 59 28.251 25.925 2.594 1.00 1.00 O ATOM 886 CB ASP A 59 31.535 25.440 2.480 1.00 1.00 C ATOM 887 CG ASP A 59 31.418 26.883 2.956 1.00 1.00 C ATOM 888 OD1 ASP A 59 31.314 27.084 4.153 1.00 1.00 O ATOM 889 OD2 ASP A 59 31.433 27.764 2.113 1.00 1.00 O ATOM 0 H ASP A 59 31.373 22.995 2.223 1.00 1.00 H new ATOM 0 HA ASP A 59 30.072 24.802 3.922 1.00 1.00 H new ATOM 0 HB2 ASP A 59 32.410 24.969 2.929 1.00 1.00 H new ATOM 0 HB3 ASP A 59 31.678 25.414 1.400 1.00 1.00 H new ATOM 894 N LYS A 60 29.027 24.838 0.783 1.00 1.00 N ATOM 895 CA LYS A 60 27.947 25.299 -0.080 1.00 1.00 C ATOM 896 C LYS A 60 26.622 24.696 0.343 1.00 1.00 C ATOM 897 O LYS A 60 25.564 25.089 -0.152 1.00 1.00 O ATOM 898 CB LYS A 60 28.244 24.905 -1.534 1.00 1.00 C ATOM 899 CG LYS A 60 29.545 25.562 -2.020 1.00 1.00 C ATOM 900 CD LYS A 60 29.274 26.999 -2.477 1.00 1.00 C ATOM 901 CE LYS A 60 30.572 27.627 -2.985 1.00 1.00 C ATOM 902 NZ LYS A 60 30.303 29.020 -3.449 1.00 1.00 N ATOM 0 H LYS A 60 29.710 24.235 0.324 1.00 1.00 H new ATOM 0 HA LYS A 60 27.879 26.384 0.005 1.00 1.00 H new ATOM 0 HB2 LYS A 60 28.327 23.821 -1.613 1.00 1.00 H new ATOM 0 HB3 LYS A 60 27.416 25.209 -2.175 1.00 1.00 H new ATOM 0 HG2 LYS A 60 30.283 25.561 -1.218 1.00 1.00 H new ATOM 0 HG3 LYS A 60 29.967 24.985 -2.843 1.00 1.00 H new ATOM 0 HD2 LYS A 60 28.522 27.005 -3.266 1.00 1.00 H new ATOM 0 HD3 LYS A 60 28.873 27.585 -1.650 1.00 1.00 H new ATOM 0 HE2 LYS A 60 31.320 27.635 -2.192 1.00 1.00 H new ATOM 0 HE3 LYS A 60 30.980 27.033 -3.802 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 31.186 29.447 -3.795 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 29.603 29.001 -4.218 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 29.932 29.584 -2.658 1.00 1.00 H new ATOM 916 N PHE A 61 26.676 23.756 1.265 1.00 1.00 N ATOM 917 CA PHE A 61 25.457 23.139 1.744 1.00 1.00 C ATOM 918 C PHE A 61 24.617 24.196 2.443 1.00 1.00 C ATOM 919 O PHE A 61 23.395 24.082 2.525 1.00 1.00 O ATOM 920 CB PHE A 61 25.787 22.017 2.732 1.00 1.00 C ATOM 921 CG PHE A 61 24.557 21.183 2.987 1.00 1.00 C ATOM 922 CD1 PHE A 61 24.222 20.145 2.112 1.00 1.00 C ATOM 923 CD2 PHE A 61 23.756 21.442 4.107 1.00 1.00 C ATOM 924 CE1 PHE A 61 23.084 19.366 2.353 1.00 1.00 C ATOM 925 CE2 PHE A 61 22.619 20.663 4.349 1.00 1.00 C ATOM 926 CZ PHE A 61 22.283 19.625 3.472 1.00 1.00 C ATOM 0 H PHE A 61 27.535 23.408 1.691 1.00 1.00 H new ATOM 0 HA PHE A 61 24.908 22.717 0.902 1.00 1.00 H new ATOM 0 HB2 PHE A 61 26.585 21.391 2.333 1.00 1.00 H new ATOM 0 HB3 PHE A 61 26.151 22.440 3.668 1.00 1.00 H new ATOM 0 HD1 PHE A 61 24.841 19.944 1.250 1.00 1.00 H new ATOM 0 HD2 PHE A 61 24.016 22.243 4.783 1.00 1.00 H new ATOM 0 HE1 PHE A 61 22.824 18.566 1.676 1.00 1.00 H new ATOM 0 HE2 PHE A 61 22.001 20.863 5.212 1.00 1.00 H new ATOM 0 HZ PHE A 61 21.406 19.024 3.659 1.00 1.00 H new ATOM 936 N SER A 62 25.288 25.244 2.923 1.00 1.00 N ATOM 937 CA SER A 62 24.583 26.335 3.592 1.00 1.00 C ATOM 938 C SER A 62 23.733 27.122 2.598 1.00 1.00 C ATOM 939 O SER A 62 22.541 27.333 2.810 1.00 1.00 O ATOM 940 CB SER A 62 25.570 27.273 4.290 1.00 1.00 C ATOM 941 OG SER A 62 24.917 28.503 4.583 1.00 1.00 O ATOM 0 H SER A 62 26.300 25.359 2.863 1.00 1.00 H new ATOM 0 HA SER A 62 23.927 25.896 4.343 1.00 1.00 H new ATOM 0 HB2 SER A 62 25.939 26.815 5.208 1.00 1.00 H new ATOM 0 HB3 SER A 62 26.436 27.450 3.652 1.00 1.00 H new ATOM 0 HG SER A 62 25.544 29.108 5.032 1.00 1.00 H new ATOM 947 N GLU A 63 24.372 27.570 1.518 1.00 1.00 N ATOM 948 CA GLU A 63 23.684 28.360 0.496 1.00 1.00 C ATOM 949 C GLU A 63 22.798 27.496 -0.392 1.00 1.00 C ATOM 950 O GLU A 63 21.780 27.962 -0.904 1.00 1.00 O ATOM 951 CB GLU A 63 24.705 29.092 -0.369 1.00 1.00 C ATOM 952 CG GLU A 63 25.413 30.145 0.481 1.00 1.00 C ATOM 953 CD GLU A 63 26.490 30.839 -0.342 1.00 1.00 C ATOM 954 OE1 GLU A 63 26.610 30.521 -1.512 1.00 1.00 O ATOM 955 OE2 GLU A 63 27.179 31.679 0.212 1.00 1.00 O ATOM 0 H GLU A 63 25.360 27.401 1.328 1.00 1.00 H new ATOM 0 HA GLU A 63 23.046 29.077 1.013 1.00 1.00 H new ATOM 0 HB2 GLU A 63 25.430 28.386 -0.775 1.00 1.00 H new ATOM 0 HB3 GLU A 63 24.210 29.564 -1.218 1.00 1.00 H new ATOM 0 HG2 GLU A 63 24.692 30.878 0.843 1.00 1.00 H new ATOM 0 HG3 GLU A 63 25.859 29.677 1.358 1.00 1.00 H new ATOM 962 N PHE A 64 23.202 26.251 -0.609 1.00 1.00 N ATOM 963 CA PHE A 64 22.446 25.363 -1.478 1.00 1.00 C ATOM 964 C PHE A 64 21.024 25.195 -0.972 1.00 1.00 C ATOM 965 O PHE A 64 20.193 24.567 -1.629 1.00 1.00 O ATOM 966 CB PHE A 64 23.141 24.000 -1.526 1.00 1.00 C ATOM 967 CG PHE A 64 22.325 23.030 -2.347 1.00 1.00 C ATOM 968 CD1 PHE A 64 22.291 23.152 -3.740 1.00 1.00 C ATOM 969 CD2 PHE A 64 21.610 22.005 -1.716 1.00 1.00 C ATOM 970 CE1 PHE A 64 21.541 22.248 -4.503 1.00 1.00 C ATOM 971 CE2 PHE A 64 20.859 21.103 -2.478 1.00 1.00 C ATOM 972 CZ PHE A 64 20.827 21.223 -3.871 1.00 1.00 C ATOM 0 H PHE A 64 24.040 25.838 -0.200 1.00 1.00 H new ATOM 0 HA PHE A 64 22.404 25.797 -2.477 1.00 1.00 H new ATOM 0 HB2 PHE A 64 24.137 24.106 -1.957 1.00 1.00 H new ATOM 0 HB3 PHE A 64 23.271 23.613 -0.515 1.00 1.00 H new ATOM 0 HD1 PHE A 64 22.843 23.943 -4.227 1.00 1.00 H new ATOM 0 HD2 PHE A 64 21.638 21.910 -0.641 1.00 1.00 H new ATOM 0 HE1 PHE A 64 21.514 22.342 -5.579 1.00 1.00 H new ATOM 0 HE2 PHE A 64 20.304 20.315 -1.991 1.00 1.00 H new ATOM 0 HZ PHE A 64 20.251 20.524 -4.460 1.00 1.00 H new ATOM 982 N TRP A 65 20.739 25.774 0.189 1.00 1.00 N ATOM 983 CA TRP A 65 19.399 25.690 0.749 1.00 1.00 C ATOM 984 C TRP A 65 18.480 26.711 0.069 1.00 1.00 C ATOM 985 O TRP A 65 17.401 26.368 -0.415 1.00 1.00 O ATOM 986 CB TRP A 65 19.468 25.962 2.251 1.00 1.00 C ATOM 987 CG TRP A 65 18.143 25.676 2.873 1.00 1.00 C ATOM 988 CD1 TRP A 65 17.714 24.453 3.256 1.00 1.00 C ATOM 989 CD2 TRP A 65 17.076 26.608 3.202 1.00 1.00 C ATOM 990 NE1 TRP A 65 16.444 24.572 3.789 1.00 1.00 N ATOM 991 CE2 TRP A 65 16.008 25.882 3.780 1.00 1.00 C ATOM 992 CE3 TRP A 65 16.930 27.998 3.054 1.00 1.00 C ATOM 993 CZ2 TRP A 65 14.836 26.515 4.196 1.00 1.00 C ATOM 994 CZ3 TRP A 65 15.752 28.638 3.472 1.00 1.00 C ATOM 995 CH2 TRP A 65 14.707 27.897 4.041 1.00 1.00 C ATOM 0 H TRP A 65 21.408 26.299 0.752 1.00 1.00 H new ATOM 0 HA TRP A 65 18.993 24.693 0.578 1.00 1.00 H new ATOM 0 HB2 TRP A 65 20.238 25.340 2.708 1.00 1.00 H new ATOM 0 HB3 TRP A 65 19.749 27.000 2.430 1.00 1.00 H new ATOM 0 HD1 TRP A 65 18.272 23.533 3.161 1.00 1.00 H new ATOM 0 HE1 TRP A 65 15.896 23.789 4.145 1.00 1.00 H new ATOM 0 HE3 TRP A 65 17.729 28.578 2.616 1.00 1.00 H new ATOM 0 HZ2 TRP A 65 14.034 25.940 4.635 1.00 1.00 H new ATOM 0 HZ3 TRP A 65 15.651 29.707 3.354 1.00 1.00 H new ATOM 0 HH2 TRP A 65 13.803 28.394 4.359 1.00 1.00 H new ATOM 1006 N ASP A 66 18.931 27.965 0.023 1.00 1.00 N ATOM 1007 CA ASP A 66 18.166 29.038 -0.618 1.00 1.00 C ATOM 1008 C ASP A 66 18.497 29.111 -2.101 1.00 1.00 C ATOM 1009 O ASP A 66 19.618 29.443 -2.489 1.00 1.00 O ATOM 1010 CB ASP A 66 18.478 30.376 0.055 1.00 1.00 C ATOM 1011 CG ASP A 66 17.465 31.435 -0.368 1.00 1.00 C ATOM 1012 OD1 ASP A 66 16.390 31.061 -0.810 1.00 1.00 O ATOM 1013 OD2 ASP A 66 17.778 32.608 -0.241 1.00 1.00 O ATOM 0 H ASP A 66 19.821 28.264 0.421 1.00 1.00 H new ATOM 0 HA ASP A 66 17.103 28.824 -0.508 1.00 1.00 H new ATOM 0 HB2 ASP A 66 18.459 30.258 1.138 1.00 1.00 H new ATOM 0 HB3 ASP A 66 19.484 30.699 -0.213 1.00 1.00 H new ATOM 1018 N LEU A 67 17.505 28.806 -2.916 1.00 1.00 N ATOM 1019 CA LEU A 67 17.647 28.832 -4.363 1.00 1.00 C ATOM 1020 C LEU A 67 17.311 30.223 -4.882 1.00 1.00 C ATOM 1021 O LEU A 67 17.151 31.165 -4.101 1.00 1.00 O ATOM 1022 CB LEU A 67 16.742 27.771 -5.004 1.00 1.00 C ATOM 1023 CG LEU A 67 17.432 26.402 -4.931 1.00 1.00 C ATOM 1024 CD1 LEU A 67 17.642 26.016 -3.466 1.00 1.00 C ATOM 1025 CD2 LEU A 67 16.564 25.343 -5.617 1.00 1.00 C ATOM 0 H LEU A 67 16.576 28.533 -2.595 1.00 1.00 H new ATOM 0 HA LEU A 67 18.678 28.600 -4.631 1.00 1.00 H new ATOM 0 HB2 LEU A 67 15.783 27.735 -4.488 1.00 1.00 H new ATOM 0 HB3 LEU A 67 16.536 28.032 -6.042 1.00 1.00 H new ATOM 0 HG LEU A 67 18.395 26.459 -5.438 1.00 1.00 H new ATOM 0 HD11 LEU A 67 18.132 25.044 -3.413 1.00 1.00 H new ATOM 0 HD12 LEU A 67 18.267 26.764 -2.978 1.00 1.00 H new ATOM 0 HD13 LEU A 67 16.677 25.964 -2.961 1.00 1.00 H new ATOM 0 HD21 LEU A 67 17.060 24.374 -5.561 1.00 1.00 H new ATOM 0 HD22 LEU A 67 15.597 25.285 -5.117 1.00 1.00 H new ATOM 0 HD23 LEU A 67 16.416 25.615 -6.662 1.00 1.00 H new ATOM 1037 N ASP A 68 17.243 30.357 -6.197 1.00 1.00 N ATOM 1038 CA ASP A 68 16.965 31.649 -6.812 1.00 1.00 C ATOM 1039 C ASP A 68 15.643 32.196 -6.261 1.00 1.00 C ATOM 1040 O ASP A 68 14.889 31.467 -5.617 1.00 1.00 O ATOM 1041 CB ASP A 68 16.879 31.429 -8.347 1.00 1.00 C ATOM 1042 CG ASP A 68 18.115 31.986 -9.055 1.00 1.00 C ATOM 1043 OD1 ASP A 68 19.199 31.832 -8.517 1.00 1.00 O ATOM 1044 OD2 ASP A 68 17.956 32.553 -10.123 1.00 1.00 O ATOM 0 H ASP A 68 17.376 29.592 -6.858 1.00 1.00 H new ATOM 0 HA ASP A 68 17.749 32.373 -6.589 1.00 1.00 H new ATOM 0 HB2 ASP A 68 16.784 30.364 -8.560 1.00 1.00 H new ATOM 0 HB3 ASP A 68 15.984 31.913 -8.737 1.00 1.00 H new ATOM 1049 N PRO A 69 15.366 33.467 -6.470 1.00 1.00 N ATOM 1050 CA PRO A 69 14.129 34.115 -5.942 1.00 1.00 C ATOM 1051 C PRO A 69 12.898 33.255 -6.199 1.00 1.00 C ATOM 1052 O PRO A 69 11.833 33.496 -5.630 1.00 1.00 O ATOM 1053 CB PRO A 69 14.038 35.460 -6.711 1.00 1.00 C ATOM 1054 CG PRO A 69 15.215 35.498 -7.659 1.00 1.00 C ATOM 1055 CD PRO A 69 16.209 34.432 -7.190 1.00 1.00 C ATOM 0 HA PRO A 69 14.169 34.255 -4.862 1.00 1.00 H new ATOM 0 HB2 PRO A 69 13.098 35.530 -7.258 1.00 1.00 H new ATOM 0 HB3 PRO A 69 14.069 36.303 -6.021 1.00 1.00 H new ATOM 0 HG2 PRO A 69 14.892 35.300 -8.681 1.00 1.00 H new ATOM 0 HG3 PRO A 69 15.679 36.484 -7.657 1.00 1.00 H new ATOM 0 HD2 PRO A 69 16.724 33.966 -8.030 1.00 1.00 H new ATOM 0 HD3 PRO A 69 16.976 34.856 -6.542 1.00 1.00 H new ATOM 1063 N GLU A 70 13.057 32.228 -7.031 1.00 1.00 N ATOM 1064 CA GLU A 70 11.956 31.309 -7.321 1.00 1.00 C ATOM 1065 C GLU A 70 12.392 29.869 -7.063 1.00 1.00 C ATOM 1066 O GLU A 70 13.178 29.299 -7.819 1.00 1.00 O ATOM 1067 CB GLU A 70 11.512 31.466 -8.788 1.00 1.00 C ATOM 1068 CG GLU A 70 12.737 31.647 -9.688 1.00 1.00 C ATOM 1069 CD GLU A 70 12.307 31.760 -11.146 1.00 1.00 C ATOM 1070 OE1 GLU A 70 11.284 32.376 -11.398 1.00 1.00 O ATOM 1071 OE2 GLU A 70 13.009 31.229 -11.990 1.00 1.00 O ATOM 0 H GLU A 70 13.929 32.011 -7.513 1.00 1.00 H new ATOM 0 HA GLU A 70 11.117 31.548 -6.667 1.00 1.00 H new ATOM 0 HB2 GLU A 70 10.946 30.589 -9.101 1.00 1.00 H new ATOM 0 HB3 GLU A 70 10.848 32.325 -8.886 1.00 1.00 H new ATOM 0 HG2 GLU A 70 13.285 32.542 -9.393 1.00 1.00 H new ATOM 0 HG3 GLU A 70 13.415 30.802 -9.566 1.00 1.00 H new ATOM 1078 N VAL A 71 11.847 29.272 -6.000 1.00 1.00 N ATOM 1079 CA VAL A 71 12.157 27.888 -5.673 1.00 1.00 C ATOM 1080 C VAL A 71 11.045 26.993 -6.219 1.00 1.00 C ATOM 1081 O VAL A 71 10.058 26.729 -5.534 1.00 1.00 O ATOM 1082 CB VAL A 71 12.217 27.733 -4.150 1.00 1.00 C ATOM 1083 CG1 VAL A 71 12.851 26.389 -3.798 1.00 1.00 C ATOM 1084 CG2 VAL A 71 13.041 28.873 -3.539 1.00 1.00 C ATOM 0 H VAL A 71 11.195 29.725 -5.359 1.00 1.00 H new ATOM 0 HA VAL A 71 13.115 27.607 -6.111 1.00 1.00 H new ATOM 0 HB VAL A 71 11.206 27.772 -3.746 1.00 1.00 H new ATOM 0 HG11 VAL A 71 12.893 26.279 -2.714 1.00 1.00 H new ATOM 0 HG12 VAL A 71 12.252 25.582 -4.221 1.00 1.00 H new ATOM 0 HG13 VAL A 71 13.860 26.345 -4.207 1.00 1.00 H new ATOM 0 HG21 VAL A 71 13.078 28.755 -2.456 1.00 1.00 H new ATOM 0 HG22 VAL A 71 14.053 28.847 -3.942 1.00 1.00 H new ATOM 0 HG23 VAL A 71 12.578 29.829 -3.784 1.00 1.00 H new ATOM 1094 N ARG A 72 11.220 26.524 -7.456 1.00 1.00 N ATOM 1095 CA ARG A 72 10.232 25.647 -8.099 1.00 1.00 C ATOM 1096 C ARG A 72 10.887 24.368 -8.625 1.00 1.00 C ATOM 1097 O ARG A 72 12.059 24.395 -8.993 1.00 1.00 O ATOM 1098 CB ARG A 72 9.555 26.391 -9.248 1.00 1.00 C ATOM 1099 CG ARG A 72 8.732 27.550 -8.679 1.00 1.00 C ATOM 1100 CD ARG A 72 7.813 28.112 -9.762 1.00 1.00 C ATOM 1101 NE ARG A 72 7.331 29.428 -9.368 1.00 1.00 N ATOM 1102 CZ ARG A 72 6.771 30.243 -10.250 1.00 1.00 C ATOM 1103 NH1 ARG A 72 6.570 29.837 -11.475 1.00 1.00 N ATOM 1104 NH2 ARG A 72 6.425 31.448 -9.893 1.00 1.00 N ATOM 0 H ARG A 72 12.034 26.735 -8.034 1.00 1.00 H new ATOM 0 HA ARG A 72 9.488 25.366 -7.354 1.00 1.00 H new ATOM 0 HB2 ARG A 72 10.304 26.768 -9.945 1.00 1.00 H new ATOM 0 HB3 ARG A 72 8.912 25.712 -9.808 1.00 1.00 H new ATOM 0 HG2 ARG A 72 8.141 27.206 -7.830 1.00 1.00 H new ATOM 0 HG3 ARG A 72 9.395 28.332 -8.310 1.00 1.00 H new ATOM 0 HD2 ARG A 72 8.350 28.180 -10.708 1.00 1.00 H new ATOM 0 HD3 ARG A 72 6.970 27.439 -9.922 1.00 1.00 H new ATOM 0 HE ARG A 72 7.426 29.727 -8.398 1.00 1.00 H new ATOM 0 HH11 ARG A 72 6.844 28.894 -11.751 1.00 1.00 H new ATOM 0 HH12 ARG A 72 6.139 30.463 -12.155 1.00 1.00 H new ATOM 0 HH21 ARG A 72 6.585 31.762 -8.936 1.00 1.00 H new ATOM 0 HH22 ARG A 72 5.994 32.077 -10.571 1.00 1.00 H new ATOM 1118 N PRO A 73 10.185 23.258 -8.718 1.00 1.00 N ATOM 1119 CA PRO A 73 10.795 22.023 -9.270 1.00 1.00 C ATOM 1120 C PRO A 73 10.954 22.125 -10.792 1.00 1.00 C ATOM 1121 O PRO A 73 11.695 21.355 -11.400 1.00 1.00 O ATOM 1122 CB PRO A 73 9.829 20.880 -8.878 1.00 1.00 C ATOM 1123 CG PRO A 73 8.689 21.514 -8.117 1.00 1.00 C ATOM 1124 CD PRO A 73 8.776 23.033 -8.329 1.00 1.00 C ATOM 0 HA PRO A 73 11.796 21.851 -8.876 1.00 1.00 H new ATOM 0 HB2 PRO A 73 9.462 20.363 -9.765 1.00 1.00 H new ATOM 0 HB3 PRO A 73 10.338 20.137 -8.264 1.00 1.00 H new ATOM 0 HG2 PRO A 73 7.732 21.132 -8.473 1.00 1.00 H new ATOM 0 HG3 PRO A 73 8.755 21.271 -7.056 1.00 1.00 H new ATOM 0 HD2 PRO A 73 8.089 23.368 -9.106 1.00 1.00 H new ATOM 0 HD3 PRO A 73 8.520 23.578 -7.421 1.00 1.00 H new ATOM 1132 N THR A 74 10.228 23.066 -11.402 1.00 1.00 N ATOM 1133 CA THR A 74 10.275 23.233 -12.857 1.00 1.00 C ATOM 1134 C THR A 74 11.486 24.029 -13.309 1.00 1.00 C ATOM 1135 O THR A 74 12.373 23.504 -13.984 1.00 1.00 O ATOM 1136 CB THR A 74 8.994 23.917 -13.345 1.00 1.00 C ATOM 1137 OG1 THR A 74 7.867 23.303 -12.732 1.00 1.00 O ATOM 1138 CG2 THR A 74 8.884 23.782 -14.865 1.00 1.00 C ATOM 0 H THR A 74 9.608 23.716 -10.919 1.00 1.00 H new ATOM 0 HA THR A 74 10.357 22.238 -13.294 1.00 1.00 H new ATOM 0 HB THR A 74 9.025 24.973 -13.078 1.00 1.00 H new ATOM 0 HG1 THR A 74 7.047 23.741 -13.042 1.00 1.00 H new ATOM 0 HG21 THR A 74 7.972 24.270 -15.209 1.00 1.00 H new ATOM 0 HG22 THR A 74 9.747 24.254 -15.336 1.00 1.00 H new ATOM 0 HG23 THR A 74 8.855 22.726 -15.135 1.00 1.00 H new ATOM 1146 N SER A 75 11.500 25.304 -12.963 1.00 1.00 N ATOM 1147 CA SER A 75 12.588 26.178 -13.371 1.00 1.00 C ATOM 1148 C SER A 75 13.919 25.648 -12.858 1.00 1.00 C ATOM 1149 O SER A 75 14.931 25.718 -13.554 1.00 1.00 O ATOM 1150 CB SER A 75 12.346 27.586 -12.829 1.00 1.00 C ATOM 1151 OG SER A 75 13.150 28.513 -13.547 1.00 1.00 O ATOM 0 H SER A 75 10.776 25.756 -12.404 1.00 1.00 H new ATOM 0 HA SER A 75 12.624 26.209 -14.460 1.00 1.00 H new ATOM 0 HB2 SER A 75 11.293 27.849 -12.927 1.00 1.00 H new ATOM 0 HB3 SER A 75 12.587 27.625 -11.767 1.00 1.00 H new ATOM 0 HG SER A 75 13.146 29.377 -13.084 1.00 1.00 H new ATOM 1157 N ALA A 76 13.918 25.112 -11.644 1.00 1.00 N ATOM 1158 CA ALA A 76 15.142 24.569 -11.071 1.00 1.00 C ATOM 1159 C ALA A 76 15.754 23.535 -12.015 1.00 1.00 C ATOM 1160 O ALA A 76 16.873 23.706 -12.499 1.00 1.00 O ATOM 1161 CB ALA A 76 14.838 23.921 -9.720 1.00 1.00 C ATOM 0 H ALA A 76 13.096 25.042 -11.045 1.00 1.00 H new ATOM 0 HA ALA A 76 15.855 25.381 -10.929 1.00 1.00 H new ATOM 0 HB1 ALA A 76 15.757 23.516 -9.296 1.00 1.00 H new ATOM 0 HB2 ALA A 76 14.424 24.668 -9.043 1.00 1.00 H new ATOM 0 HB3 ALA A 76 14.116 23.116 -9.857 1.00 1.00 H new ATOM 1167 N VAL A 77 15.019 22.451 -12.254 1.00 1.00 N ATOM 1168 CA VAL A 77 15.516 21.389 -13.123 1.00 1.00 C ATOM 1169 C VAL A 77 15.772 21.932 -14.526 1.00 1.00 C ATOM 1170 O VAL A 77 16.843 21.719 -15.094 1.00 1.00 O ATOM 1171 CB VAL A 77 14.496 20.246 -13.190 1.00 1.00 C ATOM 1172 CG1 VAL A 77 14.943 19.217 -14.233 1.00 1.00 C ATOM 1173 CG2 VAL A 77 14.399 19.568 -11.822 1.00 1.00 C ATOM 0 H VAL A 77 14.091 22.287 -11.864 1.00 1.00 H new ATOM 0 HA VAL A 77 16.452 21.011 -12.712 1.00 1.00 H new ATOM 0 HB VAL A 77 13.523 20.649 -13.470 1.00 1.00 H new ATOM 0 HG11 VAL A 77 14.216 18.406 -14.279 1.00 1.00 H new ATOM 0 HG12 VAL A 77 15.014 19.696 -15.210 1.00 1.00 H new ATOM 0 HG13 VAL A 77 15.917 18.816 -13.954 1.00 1.00 H new ATOM 0 HG21 VAL A 77 13.674 18.755 -11.869 1.00 1.00 H new ATOM 0 HG22 VAL A 77 15.374 19.168 -11.544 1.00 1.00 H new ATOM 0 HG23 VAL A 77 14.080 20.296 -11.077 1.00 1.00 H new ATOM 1183 N ALA A 78 14.794 22.643 -15.077 1.00 1.00 N ATOM 1184 CA ALA A 78 14.942 23.220 -16.408 1.00 1.00 C ATOM 1185 C ALA A 78 15.984 24.335 -16.386 1.00 1.00 C ATOM 1186 O ALA A 78 16.388 24.845 -17.430 1.00 1.00 O ATOM 1187 CB ALA A 78 13.600 23.774 -16.886 1.00 1.00 C ATOM 0 H ALA A 78 13.898 22.832 -14.627 1.00 1.00 H new ATOM 0 HA ALA A 78 15.274 22.441 -17.094 1.00 1.00 H new ATOM 0 HB1 ALA A 78 13.717 24.204 -17.881 1.00 1.00 H new ATOM 0 HB2 ALA A 78 12.866 22.969 -16.923 1.00 1.00 H new ATOM 0 HB3 ALA A 78 13.258 24.545 -16.196 1.00 1.00 H new ATOM 1193 N ALA A 79 16.408 24.704 -15.181 1.00 1.00 N ATOM 1194 CA ALA A 79 17.398 25.763 -15.018 1.00 1.00 C ATOM 1195 C ALA A 79 17.755 25.945 -13.547 1.00 1.00 C ATOM 1196 O ALA A 79 18.635 25.240 -13.079 1.00 1.00 O ATOM 1197 CB ALA A 79 16.850 27.078 -15.579 1.00 1.00 C ATOM 1198 OXT ALA A 79 17.146 26.787 -12.909 1.00 1.00 O ATOM 0 H ALA A 79 16.084 24.288 -14.308 1.00 1.00 H new ATOM 0 HA ALA A 79 18.298 25.480 -15.564 1.00 1.00 H new ATOM 0 HB1 ALA A 79 17.594 27.865 -15.454 1.00 1.00 H new ATOM 0 HB2 ALA A 79 16.625 26.956 -16.639 1.00 1.00 H new ATOM 0 HB3 ALA A 79 15.940 27.351 -15.044 1.00 1.00 H new TER 1204 ALA A 79