USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 867 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 CYS SG : rot 141:sc= 0.688 USER MOD Set 1.2: A 79 CYS SG : rot 112:sc= 0.758 USER MOD Set 1.3: A 93 CYS SG : rot 129:sc= 1.97 USER MOD Set 1.4: A 96 CYS SG : rot -34:sc= 1.29 USER MOD Set 1.5: A 100 ASN : amide:sc= -0.334 K(o=4.4,f=3.4) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 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 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 89:sc= 0.00692 USER MOD Single : A 19 HIS : no HD1:sc=-0.00188 X(o=-0.0019,f=-0.016) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.402 K(o=0.4,f=-0.39) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00317) USER MOD Single : A 39 SER OG : rot -90:sc= 0.225 USER MOD Single : A 41 MET CE :methyl -153:sc= 0 (180deg=-0.728) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -36:sc= 0.164 USER MOD Single : A 52 THR OG1 : rot 84:sc= 0.871 USER MOD Single : A 57 SER OG : rot 170:sc= 0 USER MOD Single : A 60 CYS SG : rot 160:sc= -0.116 USER MOD Single : A 61 LYS NZ :NH3+ 167:sc= 1.2 (180deg=1.07) USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0114) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= -0.409 USER MOD Single : A 81 HIS : no HE2:sc= -0.118 X(o=-0.12,f=-0.31) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 1.84 K(o=1.8,f=-0.031) USER MOD Single : A 107 ASN : amide:sc= 0.778 K(o=0.78,f=-1.2) USER MOD Single : A 109 MET CE :methyl -103:sc= -1.05 (180deg=-3.25) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 173:sc=-0.00595 (180deg=-0.0518) USER MOD ----------------------------------------------------------------- ATOM 38 N HIS A 4 -14.686 7.479 -3.115 1.00 0.00 N ATOM 39 CA HIS A 4 -13.612 6.653 -2.540 1.00 0.00 C ATOM 40 C HIS A 4 -12.372 6.562 -3.451 1.00 0.00 C ATOM 41 O HIS A 4 -11.241 6.671 -2.980 1.00 0.00 O ATOM 42 CB HIS A 4 -14.177 5.262 -2.216 1.00 0.00 C ATOM 43 CG HIS A 4 -13.189 4.348 -1.528 1.00 0.00 C ATOM 44 ND1 HIS A 4 -12.889 4.344 -0.182 1.00 0.00 N ATOM 45 CD2 HIS A 4 -12.420 3.383 -2.126 1.00 0.00 C ATOM 46 CE1 HIS A 4 -11.957 3.398 0.030 1.00 0.00 C ATOM 47 NE2 HIS A 4 -11.645 2.784 -1.126 1.00 0.00 N ATOM 0 HA HIS A 4 -13.264 7.132 -1.625 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -15.056 5.376 -1.581 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.511 4.791 -3.141 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.413 3.131 -3.176 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -11.521 3.165 0.990 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -10.973 2.027 -1.250 1.00 0.00 H new ATOM 55 N GLU A 5 -12.577 6.451 -4.768 1.00 0.00 N ATOM 56 CA GLU A 5 -11.520 6.449 -5.796 1.00 0.00 C ATOM 57 C GLU A 5 -10.681 7.743 -5.867 1.00 0.00 C ATOM 58 O GLU A 5 -9.573 7.723 -6.404 1.00 0.00 O ATOM 59 CB GLU A 5 -12.139 6.116 -7.166 1.00 0.00 C ATOM 60 CG GLU A 5 -13.115 7.180 -7.695 1.00 0.00 C ATOM 61 CD GLU A 5 -13.841 6.670 -8.955 1.00 0.00 C ATOM 62 OE1 GLU A 5 -14.921 6.045 -8.821 1.00 0.00 O ATOM 63 OE2 GLU A 5 -13.342 6.887 -10.085 1.00 0.00 O ATOM 0 H GLU A 5 -13.512 6.357 -5.165 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.808 5.678 -5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.336 5.983 -7.892 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.663 5.163 -7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.844 7.428 -6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.572 8.096 -7.927 1.00 0.00 H new ATOM 70 N TYR A 6 -11.162 8.848 -5.279 1.00 0.00 N ATOM 71 CA TYR A 6 -10.442 10.121 -5.135 1.00 0.00 C ATOM 72 C TYR A 6 -10.083 10.467 -3.677 1.00 0.00 C ATOM 73 O TYR A 6 -9.386 11.455 -3.443 1.00 0.00 O ATOM 74 CB TYR A 6 -11.238 11.259 -5.795 1.00 0.00 C ATOM 75 CG TYR A 6 -11.487 11.126 -7.289 1.00 0.00 C ATOM 76 CD1 TYR A 6 -10.477 10.657 -8.154 1.00 0.00 C ATOM 77 CD2 TYR A 6 -12.724 11.536 -7.824 1.00 0.00 C ATOM 78 CE1 TYR A 6 -10.707 10.582 -9.539 1.00 0.00 C ATOM 79 CE2 TYR A 6 -12.959 11.467 -9.211 1.00 0.00 C ATOM 80 CZ TYR A 6 -11.946 10.992 -10.074 1.00 0.00 C ATOM 81 OH TYR A 6 -12.143 10.947 -11.421 1.00 0.00 O ATOM 0 H TYR A 6 -12.098 8.880 -4.876 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.489 10.000 -5.650 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.202 11.339 -5.293 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -10.708 12.195 -5.618 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -9.522 10.354 -7.751 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.497 11.906 -7.166 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.934 10.210 -10.194 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -13.912 11.777 -9.614 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.048 11.261 -11.630 1.00 0.00 H new ATOM 91 N SER A 7 -10.495 9.653 -2.698 1.00 0.00 N ATOM 92 CA SER A 7 -10.136 9.814 -1.281 1.00 0.00 C ATOM 93 C SER A 7 -8.619 9.715 -1.087 1.00 0.00 C ATOM 94 O SER A 7 -7.990 10.672 -0.635 1.00 0.00 O ATOM 95 CB SER A 7 -10.877 8.784 -0.416 1.00 0.00 C ATOM 96 OG SER A 7 -10.617 9.009 0.960 1.00 0.00 O ATOM 0 H SER A 7 -11.098 8.849 -2.870 1.00 0.00 H new ATOM 0 HA SER A 7 -10.446 10.808 -0.959 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.949 8.847 -0.604 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.563 7.777 -0.691 1.00 0.00 H new ATOM 0 HG SER A 7 -11.098 8.345 1.497 1.00 0.00 H new ATOM 102 N VAL A 8 -8.008 8.595 -1.507 1.00 0.00 N ATOM 103 CA VAL A 8 -6.547 8.385 -1.468 1.00 0.00 C ATOM 104 C VAL A 8 -5.781 9.473 -2.232 1.00 0.00 C ATOM 105 O VAL A 8 -4.780 9.989 -1.741 1.00 0.00 O ATOM 106 CB VAL A 8 -6.173 6.964 -1.936 1.00 0.00 C ATOM 107 CG1 VAL A 8 -6.424 6.710 -3.424 1.00 0.00 C ATOM 108 CG2 VAL A 8 -4.718 6.633 -1.595 1.00 0.00 C ATOM 0 H VAL A 8 -8.519 7.799 -1.888 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.236 8.473 -0.427 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.842 6.301 -1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.135 5.689 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.482 6.852 -3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.834 7.408 -4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.484 5.625 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.057 7.346 -2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.575 6.692 -0.516 1.00 0.00 H new ATOM 118 N VAL A 9 -6.283 9.869 -3.407 1.00 0.00 N ATOM 119 CA VAL A 9 -5.737 10.904 -4.286 1.00 0.00 C ATOM 120 C VAL A 9 -5.677 12.269 -3.592 1.00 0.00 C ATOM 121 O VAL A 9 -4.591 12.793 -3.358 1.00 0.00 O ATOM 122 CB VAL A 9 -6.588 10.962 -5.561 1.00 0.00 C ATOM 123 CG1 VAL A 9 -6.037 12.000 -6.526 1.00 0.00 C ATOM 124 CG2 VAL A 9 -6.621 9.610 -6.293 1.00 0.00 C ATOM 0 H VAL A 9 -7.130 9.450 -3.790 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.709 10.648 -4.543 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.598 11.226 -5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.654 12.026 -7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.047 12.981 -6.050 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.014 11.739 -6.796 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.235 9.697 -7.190 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.607 9.323 -6.573 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.044 8.851 -5.636 1.00 0.00 H new ATOM 134 N SER A 10 -6.830 12.852 -3.247 1.00 0.00 N ATOM 135 CA SER A 10 -6.931 14.149 -2.563 1.00 0.00 C ATOM 136 C SER A 10 -6.173 14.164 -1.227 1.00 0.00 C ATOM 137 O SER A 10 -5.496 15.145 -0.905 1.00 0.00 O ATOM 138 CB SER A 10 -8.411 14.492 -2.353 1.00 0.00 C ATOM 139 OG SER A 10 -8.576 15.839 -1.937 1.00 0.00 O ATOM 0 H SER A 10 -7.738 12.428 -3.438 1.00 0.00 H new ATOM 0 HA SER A 10 -6.462 14.905 -3.193 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.960 14.326 -3.280 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.839 13.824 -1.606 1.00 0.00 H new ATOM 0 HG SER A 10 -9.529 16.029 -1.813 1.00 0.00 H new ATOM 145 N SER A 11 -6.230 13.059 -0.472 1.00 0.00 N ATOM 146 CA SER A 11 -5.465 12.869 0.770 1.00 0.00 C ATOM 147 C SER A 11 -3.955 12.974 0.527 1.00 0.00 C ATOM 148 O SER A 11 -3.274 13.722 1.227 1.00 0.00 O ATOM 149 CB SER A 11 -5.815 11.520 1.410 1.00 0.00 C ATOM 150 OG SER A 11 -5.155 11.355 2.655 1.00 0.00 O ATOM 0 H SER A 11 -6.817 12.259 -0.709 1.00 0.00 H new ATOM 0 HA SER A 11 -5.743 13.669 1.457 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.893 11.453 1.555 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.533 10.711 0.736 1.00 0.00 H new ATOM 0 HG SER A 11 -5.397 10.488 3.041 1.00 0.00 H new ATOM 156 N LEU A 12 -3.428 12.295 -0.501 1.00 0.00 N ATOM 157 CA LEU A 12 -2.022 12.369 -0.895 1.00 0.00 C ATOM 158 C LEU A 12 -1.574 13.806 -1.165 1.00 0.00 C ATOM 159 O LEU A 12 -0.590 14.233 -0.570 1.00 0.00 O ATOM 160 CB LEU A 12 -1.746 11.456 -2.105 1.00 0.00 C ATOM 161 CG LEU A 12 -1.306 10.045 -1.691 1.00 0.00 C ATOM 162 CD1 LEU A 12 -1.382 9.109 -2.892 1.00 0.00 C ATOM 163 CD2 LEU A 12 0.141 10.056 -1.199 1.00 0.00 C ATOM 0 H LEU A 12 -3.979 11.670 -1.089 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.428 12.009 -0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.646 11.387 -2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.972 11.906 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.967 9.706 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.069 8.108 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.407 9.073 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.725 9.475 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.435 9.047 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.794 10.410 -1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.228 10.719 -0.339 1.00 0.00 H new ATOM 175 N ILE A 13 -2.291 14.565 -2.002 1.00 0.00 N ATOM 176 CA ILE A 13 -1.944 15.971 -2.302 1.00 0.00 C ATOM 177 C ILE A 13 -1.834 16.806 -1.012 1.00 0.00 C ATOM 178 O ILE A 13 -0.855 17.530 -0.814 1.00 0.00 O ATOM 179 CB ILE A 13 -2.936 16.640 -3.286 1.00 0.00 C ATOM 180 CG1 ILE A 13 -3.318 15.790 -4.515 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.369 17.987 -3.769 1.00 0.00 C ATOM 182 CD1 ILE A 13 -2.149 15.183 -5.299 1.00 0.00 C ATOM 0 H ILE A 13 -3.122 14.231 -2.490 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.971 15.943 -2.792 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.854 16.770 -2.713 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.968 14.980 -4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.902 16.411 -5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.072 18.451 -4.460 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.214 18.644 -2.913 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.418 17.821 -4.276 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.535 14.607 -6.140 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.506 15.981 -5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.573 14.528 -4.645 1.00 0.00 H new ATOM 194 N ALA A 14 -2.815 16.678 -0.113 1.00 0.00 N ATOM 195 CA ALA A 14 -2.836 17.375 1.175 1.00 0.00 C ATOM 196 C ALA A 14 -1.651 16.989 2.088 1.00 0.00 C ATOM 197 O ALA A 14 -0.967 17.870 2.615 1.00 0.00 O ATOM 198 CB ALA A 14 -4.189 17.124 1.850 1.00 0.00 C ATOM 0 H ALA A 14 -3.627 16.079 -0.262 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.714 18.443 0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.217 17.638 2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.989 17.501 1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.324 16.054 2.007 1.00 0.00 H new ATOM 204 N LEU A 15 -1.384 15.689 2.267 1.00 0.00 N ATOM 205 CA LEU A 15 -0.251 15.174 3.049 1.00 0.00 C ATOM 206 C LEU A 15 1.099 15.613 2.462 1.00 0.00 C ATOM 207 O LEU A 15 1.947 16.115 3.197 1.00 0.00 O ATOM 208 CB LEU A 15 -0.340 13.637 3.145 1.00 0.00 C ATOM 209 CG LEU A 15 -1.079 13.076 4.377 1.00 0.00 C ATOM 210 CD1 LEU A 15 -0.273 13.279 5.662 1.00 0.00 C ATOM 211 CD2 LEU A 15 -2.474 13.663 4.604 1.00 0.00 C ATOM 0 H LEU A 15 -1.961 14.950 1.864 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.310 15.598 4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.836 13.265 2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.673 13.234 3.139 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.193 12.016 4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.827 12.871 6.507 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.685 12.767 5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.103 14.344 5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.919 13.211 5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.396 14.741 4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.102 13.455 3.737 1.00 0.00 H new ATOM 223 N CYS A 16 1.289 15.471 1.149 1.00 0.00 N ATOM 224 CA CYS A 16 2.437 15.975 0.392 1.00 0.00 C ATOM 225 C CYS A 16 2.732 17.453 0.709 1.00 0.00 C ATOM 226 O CYS A 16 3.831 17.780 1.163 1.00 0.00 O ATOM 227 CB CYS A 16 2.176 15.752 -1.108 1.00 0.00 C ATOM 228 SG CYS A 16 2.499 14.024 -1.571 1.00 0.00 S ATOM 0 H CYS A 16 0.618 14.980 0.558 1.00 0.00 H new ATOM 0 HA CYS A 16 3.330 15.424 0.687 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.143 16.009 -1.344 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.812 16.415 -1.695 1.00 0.00 H new ATOM 0 HG CYS A 16 1.418 13.321 -1.404 1.00 0.00 H new ATOM 234 N GLU A 17 1.753 18.342 0.509 1.00 0.00 N ATOM 235 CA GLU A 17 1.851 19.771 0.836 1.00 0.00 C ATOM 236 C GLU A 17 2.242 20.000 2.307 1.00 0.00 C ATOM 237 O GLU A 17 3.206 20.716 2.583 1.00 0.00 O ATOM 238 CB GLU A 17 0.523 20.462 0.477 1.00 0.00 C ATOM 239 CG GLU A 17 0.586 21.996 0.401 1.00 0.00 C ATOM 240 CD GLU A 17 0.736 22.721 1.754 1.00 0.00 C ATOM 241 OE1 GLU A 17 -0.011 22.407 2.710 1.00 0.00 O ATOM 242 OE2 GLU A 17 1.558 23.666 1.836 1.00 0.00 O ATOM 0 H GLU A 17 0.852 18.084 0.107 1.00 0.00 H new ATOM 0 HA GLU A 17 2.651 20.215 0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.181 20.080 -0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.227 20.181 1.217 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.424 22.277 -0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.320 22.356 -0.086 1.00 0.00 H new ATOM 249 N GLU A 18 1.536 19.360 3.246 1.00 0.00 N ATOM 250 CA GLU A 18 1.778 19.483 4.688 1.00 0.00 C ATOM 251 C GLU A 18 3.195 19.048 5.094 1.00 0.00 C ATOM 252 O GLU A 18 3.865 19.758 5.846 1.00 0.00 O ATOM 253 CB GLU A 18 0.701 18.707 5.465 1.00 0.00 C ATOM 254 CG GLU A 18 0.785 18.964 6.975 1.00 0.00 C ATOM 255 CD GLU A 18 -0.391 18.304 7.720 1.00 0.00 C ATOM 256 OE1 GLU A 18 -1.451 18.956 7.890 1.00 0.00 O ATOM 257 OE2 GLU A 18 -0.259 17.136 8.160 1.00 0.00 O ATOM 0 H GLU A 18 0.766 18.730 3.021 1.00 0.00 H new ATOM 0 HA GLU A 18 1.709 20.540 4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.286 18.995 5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.813 17.640 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.727 18.575 7.361 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.782 20.037 7.164 1.00 0.00 H new ATOM 264 N HIS A 19 3.696 17.925 4.573 1.00 0.00 N ATOM 265 CA HIS A 19 5.077 17.490 4.789 1.00 0.00 C ATOM 266 C HIS A 19 6.083 18.519 4.255 1.00 0.00 C ATOM 267 O HIS A 19 7.057 18.831 4.941 1.00 0.00 O ATOM 268 CB HIS A 19 5.322 16.127 4.126 1.00 0.00 C ATOM 269 CG HIS A 19 4.547 14.971 4.711 1.00 0.00 C ATOM 270 ND1 HIS A 19 4.344 14.709 6.051 1.00 0.00 N ATOM 271 CD2 HIS A 19 3.983 13.944 4.001 1.00 0.00 C ATOM 272 CE1 HIS A 19 3.662 13.554 6.145 1.00 0.00 C ATOM 273 NE2 HIS A 19 3.426 13.048 4.921 1.00 0.00 N ATOM 0 H HIS A 19 3.153 17.290 3.988 1.00 0.00 H new ATOM 0 HA HIS A 19 5.226 17.397 5.865 1.00 0.00 H new ATOM 0 HB2 HIS A 19 5.076 16.208 3.067 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.386 15.898 4.189 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.970 13.844 2.926 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.348 13.097 7.072 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.936 12.180 4.705 1.00 0.00 H new ATOM 281 N ALA A 20 5.859 19.073 3.059 1.00 0.00 N ATOM 282 CA ALA A 20 6.776 20.038 2.453 1.00 0.00 C ATOM 283 C ALA A 20 6.896 21.332 3.270 1.00 0.00 C ATOM 284 O ALA A 20 8.016 21.773 3.526 1.00 0.00 O ATOM 285 CB ALA A 20 6.363 20.329 1.012 1.00 0.00 C ATOM 0 H ALA A 20 5.040 18.865 2.488 1.00 0.00 H new ATOM 0 HA ALA A 20 7.768 19.586 2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.054 21.049 0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.386 19.405 0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.354 20.741 0.999 1.00 0.00 H new ATOM 291 N LYS A 21 5.786 21.936 3.718 1.00 0.00 N ATOM 292 CA LYS A 21 5.833 23.118 4.606 1.00 0.00 C ATOM 293 C LYS A 21 6.424 22.811 5.989 1.00 0.00 C ATOM 294 O LYS A 21 7.099 23.664 6.563 1.00 0.00 O ATOM 295 CB LYS A 21 4.450 23.786 4.726 1.00 0.00 C ATOM 296 CG LYS A 21 3.394 22.890 5.391 1.00 0.00 C ATOM 297 CD LYS A 21 2.022 23.559 5.559 1.00 0.00 C ATOM 298 CE LYS A 21 1.992 24.743 6.536 1.00 0.00 C ATOM 299 NZ LYS A 21 2.171 24.323 7.952 1.00 0.00 N ATOM 0 H LYS A 21 4.842 21.629 3.483 1.00 0.00 H new ATOM 0 HA LYS A 21 6.514 23.825 4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.548 24.707 5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.103 24.067 3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.275 21.984 4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.759 22.582 6.371 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.681 23.904 4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.308 22.809 5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.778 25.449 6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.043 25.269 6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.143 25.160 8.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.407 23.670 8.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.088 23.845 8.059 1.00 0.00 H new ATOM 313 N LYS A 22 6.214 21.598 6.519 1.00 0.00 N ATOM 314 CA LYS A 22 6.687 21.173 7.855 1.00 0.00 C ATOM 315 C LYS A 22 8.202 20.959 7.857 1.00 0.00 C ATOM 316 O LYS A 22 8.898 21.397 8.771 1.00 0.00 O ATOM 317 CB LYS A 22 5.929 19.900 8.276 1.00 0.00 C ATOM 318 CG LYS A 22 6.243 19.343 9.676 1.00 0.00 C ATOM 319 CD LYS A 22 5.723 20.194 10.848 1.00 0.00 C ATOM 320 CE LYS A 22 6.699 21.295 11.288 1.00 0.00 C ATOM 321 NZ LYS A 22 6.190 22.025 12.481 1.00 0.00 N ATOM 0 H LYS A 22 5.701 20.867 6.026 1.00 0.00 H new ATOM 0 HA LYS A 22 6.481 21.959 8.582 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.860 20.107 8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.139 19.120 7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.817 18.343 9.756 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.323 19.238 9.775 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.776 20.652 10.562 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.517 19.542 11.697 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.669 20.854 11.516 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.853 21.997 10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.871 22.762 12.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.276 22.466 12.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.067 21.358 13.270 1.00 0.00 H new ATOM 335 N ASN A 23 8.702 20.340 6.789 1.00 0.00 N ATOM 336 CA ASN A 23 10.127 20.162 6.487 1.00 0.00 C ATOM 337 C ASN A 23 10.781 21.423 5.875 1.00 0.00 C ATOM 338 O ASN A 23 11.985 21.440 5.624 1.00 0.00 O ATOM 339 CB ASN A 23 10.251 18.933 5.562 1.00 0.00 C ATOM 340 CG ASN A 23 11.672 18.406 5.419 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.469 18.405 6.349 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.031 17.907 4.258 1.00 0.00 N ATOM 0 H ASN A 23 8.100 19.929 6.076 1.00 0.00 H new ATOM 0 HA ASN A 23 10.676 19.997 7.414 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.616 18.135 5.948 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.870 19.194 4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.968 17.522 4.136 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.373 17.904 3.479 1.00 0.00 H new ATOM 349 N GLN A 24 9.992 22.481 5.637 1.00 0.00 N ATOM 350 CA GLN A 24 10.378 23.751 5.002 1.00 0.00 C ATOM 351 C GLN A 24 11.033 23.551 3.615 1.00 0.00 C ATOM 352 O GLN A 24 11.873 24.342 3.177 1.00 0.00 O ATOM 353 CB GLN A 24 11.217 24.593 5.987 1.00 0.00 C ATOM 354 CG GLN A 24 10.454 24.935 7.281 1.00 0.00 C ATOM 355 CD GLN A 24 11.406 25.385 8.385 1.00 0.00 C ATOM 356 OE1 GLN A 24 11.748 26.554 8.521 1.00 0.00 O ATOM 357 NE2 GLN A 24 11.874 24.473 9.215 1.00 0.00 N ATOM 0 H GLN A 24 9.006 22.473 5.899 1.00 0.00 H new ATOM 0 HA GLN A 24 9.477 24.323 4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.126 24.048 6.240 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.525 25.517 5.497 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.729 25.723 7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.892 24.063 7.616 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.596 23.497 9.110 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.514 24.743 9.961 1.00 0.00 H new ATOM 366 N ALA A 25 10.659 22.467 2.928 1.00 0.00 N ATOM 367 CA ALA A 25 11.214 22.033 1.648 1.00 0.00 C ATOM 368 C ALA A 25 10.674 22.856 0.466 1.00 0.00 C ATOM 369 O ALA A 25 11.416 23.182 -0.460 1.00 0.00 O ATOM 370 CB ALA A 25 10.865 20.549 1.480 1.00 0.00 C ATOM 0 H ALA A 25 9.928 21.842 3.267 1.00 0.00 H new ATOM 0 HA ALA A 25 12.293 22.186 1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.264 20.186 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.301 19.978 2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.782 20.427 1.488 1.00 0.00 H new ATOM 376 N HIS A 26 9.374 23.180 0.500 1.00 0.00 N ATOM 377 CA HIS A 26 8.611 23.936 -0.508 1.00 0.00 C ATOM 378 C HIS A 26 8.672 23.398 -1.960 1.00 0.00 C ATOM 379 O HIS A 26 8.200 24.056 -2.890 1.00 0.00 O ATOM 380 CB HIS A 26 8.938 25.434 -0.377 1.00 0.00 C ATOM 381 CG HIS A 26 8.729 25.962 1.024 1.00 0.00 C ATOM 382 ND1 HIS A 26 9.718 26.284 1.928 1.00 0.00 N ATOM 383 CD2 HIS A 26 7.522 26.160 1.643 1.00 0.00 C ATOM 384 CE1 HIS A 26 9.124 26.678 3.068 1.00 0.00 C ATOM 385 NE2 HIS A 26 7.787 26.613 2.942 1.00 0.00 N ATOM 0 H HIS A 26 8.786 22.903 1.286 1.00 0.00 H new ATOM 0 HA HIS A 26 7.557 23.781 -0.279 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.974 25.602 -0.672 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.314 25.999 -1.069 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.546 25.997 1.209 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.646 27.000 3.957 1.00 0.00 H new ATOM 0 HE2 HIS A 26 7.097 26.848 3.656 1.00 0.00 H new ATOM 393 N LYS A 27 9.197 22.182 -2.159 1.00 0.00 N ATOM 394 CA LYS A 27 9.170 21.372 -3.390 1.00 0.00 C ATOM 395 C LYS A 27 9.083 19.885 -3.045 1.00 0.00 C ATOM 396 O LYS A 27 9.451 19.473 -1.945 1.00 0.00 O ATOM 397 CB LYS A 27 10.457 21.606 -4.215 1.00 0.00 C ATOM 398 CG LYS A 27 10.550 22.941 -4.969 1.00 0.00 C ATOM 399 CD LYS A 27 9.463 23.085 -6.047 1.00 0.00 C ATOM 400 CE LYS A 27 9.660 24.333 -6.919 1.00 0.00 C ATOM 401 NZ LYS A 27 10.802 24.193 -7.862 1.00 0.00 N ATOM 0 H LYS A 27 9.690 21.699 -1.408 1.00 0.00 H new ATOM 0 HA LYS A 27 8.297 21.671 -3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.312 21.533 -3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.551 20.797 -4.939 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.463 23.763 -4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.532 23.024 -5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.466 22.199 -6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.485 23.131 -5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.748 24.526 -7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.826 25.198 -6.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.873 25.047 -8.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.683 24.070 -7.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.650 23.364 -8.471 1.00 0.00 H new ATOM 415 N ILE A 28 8.635 19.087 -4.013 1.00 0.00 N ATOM 416 CA ILE A 28 8.489 17.625 -3.928 1.00 0.00 C ATOM 417 C ILE A 28 8.932 17.001 -5.259 1.00 0.00 C ATOM 418 O ILE A 28 8.547 17.469 -6.329 1.00 0.00 O ATOM 419 CB ILE A 28 7.030 17.236 -3.584 1.00 0.00 C ATOM 420 CG1 ILE A 28 6.534 17.973 -2.317 1.00 0.00 C ATOM 421 CG2 ILE A 28 6.913 15.707 -3.412 1.00 0.00 C ATOM 422 CD1 ILE A 28 5.097 17.645 -1.924 1.00 0.00 C ATOM 0 H ILE A 28 8.350 19.453 -4.921 1.00 0.00 H new ATOM 0 HA ILE A 28 9.121 17.242 -3.127 1.00 0.00 H new ATOM 0 HB ILE A 28 6.392 17.544 -4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 28 7.192 17.724 -1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.618 19.048 -2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.883 15.446 -3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.205 15.213 -4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.569 15.380 -2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.829 18.203 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.425 17.921 -2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.009 16.577 -1.727 1.00 0.00 H new ATOM 434 N GLU A 29 9.745 15.947 -5.192 1.00 0.00 N ATOM 435 CA GLU A 29 10.173 15.147 -6.344 1.00 0.00 C ATOM 436 C GLU A 29 9.163 14.021 -6.619 1.00 0.00 C ATOM 437 O GLU A 29 8.606 13.943 -7.716 1.00 0.00 O ATOM 438 CB GLU A 29 11.588 14.599 -6.075 1.00 0.00 C ATOM 439 CG GLU A 29 12.207 13.835 -7.255 1.00 0.00 C ATOM 440 CD GLU A 29 12.486 14.738 -8.474 1.00 0.00 C ATOM 441 OE1 GLU A 29 13.322 15.666 -8.367 1.00 0.00 O ATOM 442 OE2 GLU A 29 11.889 14.508 -9.553 1.00 0.00 O ATOM 0 H GLU A 29 10.136 15.615 -4.310 1.00 0.00 H new ATOM 0 HA GLU A 29 10.208 15.768 -7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.243 15.430 -5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.550 13.938 -5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.139 13.371 -6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.536 13.029 -7.552 1.00 0.00 H new ATOM 449 N ARG A 30 8.901 13.154 -5.627 1.00 0.00 N ATOM 450 CA ARG A 30 7.975 12.014 -5.759 1.00 0.00 C ATOM 451 C ARG A 30 7.391 11.506 -4.437 1.00 0.00 C ATOM 452 O ARG A 30 7.897 11.819 -3.361 1.00 0.00 O ATOM 453 CB ARG A 30 8.657 10.865 -6.539 1.00 0.00 C ATOM 454 CG ARG A 30 10.011 10.419 -5.962 1.00 0.00 C ATOM 455 CD ARG A 30 10.539 9.190 -6.708 1.00 0.00 C ATOM 456 NE ARG A 30 11.972 8.958 -6.444 1.00 0.00 N ATOM 457 CZ ARG A 30 12.700 7.942 -6.872 1.00 0.00 C ATOM 458 NH1 ARG A 30 12.196 6.945 -7.541 1.00 0.00 N ATOM 459 NH2 ARG A 30 13.981 7.909 -6.635 1.00 0.00 N ATOM 0 H ARG A 30 9.328 13.224 -4.704 1.00 0.00 H new ATOM 0 HA ARG A 30 7.118 12.389 -6.318 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.985 10.007 -6.559 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.803 11.180 -7.572 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.731 11.234 -6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.902 10.188 -4.902 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.968 8.311 -6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.384 9.321 -7.779 1.00 0.00 H new ATOM 0 HE ARG A 30 12.450 9.654 -5.872 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.199 6.927 -7.755 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.798 6.182 -7.851 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.424 8.669 -6.118 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.541 7.123 -6.966 1.00 0.00 H new ATOM 473 N VAL A 31 6.365 10.663 -4.545 1.00 0.00 N ATOM 474 CA VAL A 31 5.738 9.876 -3.468 1.00 0.00 C ATOM 475 C VAL A 31 5.625 8.401 -3.862 1.00 0.00 C ATOM 476 O VAL A 31 5.043 8.061 -4.890 1.00 0.00 O ATOM 477 CB VAL A 31 4.389 10.482 -3.041 1.00 0.00 C ATOM 478 CG1 VAL A 31 3.338 10.594 -4.153 1.00 0.00 C ATOM 479 CG2 VAL A 31 3.776 9.714 -1.864 1.00 0.00 C ATOM 0 H VAL A 31 5.915 10.496 -5.445 1.00 0.00 H new ATOM 0 HA VAL A 31 6.385 9.920 -2.592 1.00 0.00 H new ATOM 0 HB VAL A 31 4.647 11.500 -2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.426 11.033 -3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.721 11.227 -4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.119 9.602 -4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.825 10.169 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.612 8.676 -2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.455 9.750 -1.012 1.00 0.00 H new ATOM 489 N VAL A 32 6.228 7.524 -3.061 1.00 0.00 N ATOM 490 CA VAL A 32 6.209 6.061 -3.210 1.00 0.00 C ATOM 491 C VAL A 32 4.919 5.503 -2.603 1.00 0.00 C ATOM 492 O VAL A 32 4.606 5.807 -1.450 1.00 0.00 O ATOM 493 CB VAL A 32 7.443 5.426 -2.534 1.00 0.00 C ATOM 494 CG1 VAL A 32 7.524 3.927 -2.840 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.755 6.061 -3.016 1.00 0.00 C ATOM 0 H VAL A 32 6.770 7.824 -2.251 1.00 0.00 H new ATOM 0 HA VAL A 32 6.243 5.813 -4.271 1.00 0.00 H new ATOM 0 HB VAL A 32 7.322 5.598 -1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.402 3.503 -2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.627 3.431 -2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.600 3.779 -3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.596 5.583 -2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.851 5.925 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.751 7.126 -2.783 1.00 0.00 H new ATOM 505 N VAL A 33 4.162 4.696 -3.353 1.00 0.00 N ATOM 506 CA VAL A 33 2.838 4.179 -2.954 1.00 0.00 C ATOM 507 C VAL A 33 2.672 2.703 -3.330 1.00 0.00 C ATOM 508 O VAL A 33 2.730 2.341 -4.504 1.00 0.00 O ATOM 509 CB VAL A 33 1.700 5.019 -3.571 1.00 0.00 C ATOM 510 CG1 VAL A 33 0.331 4.584 -3.039 1.00 0.00 C ATOM 511 CG2 VAL A 33 1.838 6.518 -3.265 1.00 0.00 C ATOM 0 H VAL A 33 4.454 4.374 -4.276 1.00 0.00 H new ATOM 0 HA VAL A 33 2.777 4.261 -1.869 1.00 0.00 H new ATOM 0 HB VAL A 33 1.775 4.852 -4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.448 5.196 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.160 3.536 -3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.305 4.709 -1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.011 7.061 -3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.820 6.672 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.781 6.886 -3.668 1.00 0.00 H new ATOM 521 N GLY A 34 2.453 1.846 -2.332 1.00 0.00 N ATOM 522 CA GLY A 34 2.229 0.408 -2.490 1.00 0.00 C ATOM 523 C GLY A 34 0.767 0.071 -2.790 1.00 0.00 C ATOM 524 O GLY A 34 -0.116 0.410 -1.999 1.00 0.00 O ATOM 0 H GLY A 34 2.426 2.144 -1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.858 0.032 -3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.537 -0.106 -1.580 1.00 0.00 H new ATOM 528 N ILE A 35 0.509 -0.613 -3.909 1.00 0.00 N ATOM 529 CA ILE A 35 -0.811 -1.116 -4.327 1.00 0.00 C ATOM 530 C ILE A 35 -0.763 -2.643 -4.427 1.00 0.00 C ATOM 531 O ILE A 35 0.088 -3.204 -5.120 1.00 0.00 O ATOM 532 CB ILE A 35 -1.285 -0.489 -5.662 1.00 0.00 C ATOM 533 CG1 ILE A 35 -1.252 1.053 -5.594 1.00 0.00 C ATOM 534 CG2 ILE A 35 -2.705 -1.000 -5.991 1.00 0.00 C ATOM 535 CD1 ILE A 35 -1.839 1.758 -6.820 1.00 0.00 C ATOM 0 H ILE A 35 1.243 -0.843 -4.579 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.540 -0.821 -3.572 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.605 -0.792 -6.458 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.799 1.376 -4.709 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.219 1.376 -5.466 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.041 -0.560 -6.930 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.688 -2.086 -6.084 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.389 -0.715 -5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.774 2.838 -6.685 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.278 1.469 -7.709 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.883 1.470 -6.940 1.00 0.00 H new ATOM 547 N GLY A 36 -1.677 -3.314 -3.721 1.00 0.00 N ATOM 548 CA GLY A 36 -1.767 -4.777 -3.673 1.00 0.00 C ATOM 549 C GLY A 36 -2.057 -5.411 -5.036 1.00 0.00 C ATOM 550 O GLY A 36 -2.901 -4.923 -5.786 1.00 0.00 O ATOM 0 H GLY A 36 -2.388 -2.848 -3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.831 -5.179 -3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.552 -5.063 -2.973 1.00 0.00 H new ATOM 554 N GLU A 37 -1.418 -6.540 -5.349 1.00 0.00 N ATOM 555 CA GLU A 37 -1.567 -7.230 -6.639 1.00 0.00 C ATOM 556 C GLU A 37 -2.974 -7.834 -6.847 1.00 0.00 C ATOM 557 O GLU A 37 -3.347 -8.173 -7.973 1.00 0.00 O ATOM 558 CB GLU A 37 -0.462 -8.290 -6.821 1.00 0.00 C ATOM 559 CG GLU A 37 -0.535 -9.446 -5.814 1.00 0.00 C ATOM 560 CD GLU A 37 0.503 -10.554 -6.080 1.00 0.00 C ATOM 561 OE1 GLU A 37 0.675 -10.985 -7.248 1.00 0.00 O ATOM 562 OE2 GLU A 37 1.116 -11.036 -5.100 1.00 0.00 O ATOM 0 H GLU A 37 -0.775 -7.008 -4.710 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.452 -6.473 -7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.525 -8.696 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.510 -7.805 -6.733 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.386 -9.052 -4.808 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.534 -9.880 -5.842 1.00 0.00 H new ATOM 569 N ARG A 38 -3.771 -7.934 -5.768 1.00 0.00 N ATOM 570 CA ARG A 38 -5.178 -8.365 -5.742 1.00 0.00 C ATOM 571 C ARG A 38 -6.165 -7.266 -5.309 1.00 0.00 C ATOM 572 O ARG A 38 -7.334 -7.558 -5.056 1.00 0.00 O ATOM 573 CB ARG A 38 -5.324 -9.627 -4.869 1.00 0.00 C ATOM 574 CG ARG A 38 -4.583 -10.873 -5.384 1.00 0.00 C ATOM 575 CD ARG A 38 -4.947 -11.291 -6.816 1.00 0.00 C ATOM 576 NE ARG A 38 -6.377 -11.636 -6.949 1.00 0.00 N ATOM 577 CZ ARG A 38 -7.035 -11.902 -8.064 1.00 0.00 C ATOM 578 NH1 ARG A 38 -6.454 -11.887 -9.230 1.00 0.00 N ATOM 579 NH2 ARG A 38 -8.305 -12.192 -8.028 1.00 0.00 N ATOM 0 H ARG A 38 -3.428 -7.702 -4.836 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.451 -8.598 -6.771 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.963 -9.399 -3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.384 -9.866 -4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.510 -10.686 -5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.792 -11.706 -4.713 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.705 -10.479 -7.502 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.339 -12.147 -7.108 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.917 -11.673 -6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.461 -11.665 -9.302 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.992 -12.097 -10.071 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.798 -12.215 -7.135 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.806 -12.396 -8.893 1.00 0.00 H new ATOM 593 N SER A 39 -5.729 -6.005 -5.230 1.00 0.00 N ATOM 594 CA SER A 39 -6.587 -4.869 -4.837 1.00 0.00 C ATOM 595 C SER A 39 -7.732 -4.582 -5.824 1.00 0.00 C ATOM 596 O SER A 39 -8.729 -3.958 -5.454 1.00 0.00 O ATOM 597 CB SER A 39 -5.743 -3.601 -4.693 1.00 0.00 C ATOM 598 OG SER A 39 -5.419 -3.083 -5.974 1.00 0.00 O ATOM 0 H SER A 39 -4.767 -5.736 -5.437 1.00 0.00 H new ATOM 0 HA SER A 39 -7.040 -5.156 -3.888 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.290 -2.854 -4.118 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.830 -3.823 -4.140 1.00 0.00 H new ATOM 0 HG SER A 39 -4.570 -3.468 -6.277 1.00 0.00 H new ATOM 604 N ALA A 40 -7.576 -5.022 -7.082 1.00 0.00 N ATOM 605 CA ALA A 40 -8.423 -4.731 -8.243 1.00 0.00 C ATOM 606 C ALA A 40 -8.594 -3.225 -8.570 1.00 0.00 C ATOM 607 O ALA A 40 -9.466 -2.863 -9.366 1.00 0.00 O ATOM 608 CB ALA A 40 -9.745 -5.503 -8.106 1.00 0.00 C ATOM 0 H ALA A 40 -6.798 -5.634 -7.329 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.902 -5.090 -9.131 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.381 -5.292 -8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.539 -6.572 -8.061 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.254 -5.193 -7.194 1.00 0.00 H new ATOM 614 N MET A 41 -7.780 -2.336 -7.983 1.00 0.00 N ATOM 615 CA MET A 41 -7.795 -0.898 -8.271 1.00 0.00 C ATOM 616 C MET A 41 -7.136 -0.590 -9.624 1.00 0.00 C ATOM 617 O MET A 41 -6.142 -1.211 -10.010 1.00 0.00 O ATOM 618 CB MET A 41 -7.070 -0.119 -7.162 1.00 0.00 C ATOM 619 CG MET A 41 -7.686 -0.358 -5.780 1.00 0.00 C ATOM 620 SD MET A 41 -7.026 0.739 -4.499 1.00 0.00 S ATOM 621 CE MET A 41 -7.406 -0.233 -3.021 1.00 0.00 C ATOM 0 H MET A 41 -7.084 -2.601 -7.286 1.00 0.00 H new ATOM 0 HA MET A 41 -8.838 -0.585 -8.314 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.020 -0.411 -7.144 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.101 0.946 -7.391 1.00 0.00 H new ATOM 0 HG2 MET A 41 -8.766 -0.222 -5.843 1.00 0.00 H new ATOM 0 HG3 MET A 41 -7.512 -1.393 -5.487 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.524 0.434 -2.167 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.331 -0.788 -3.178 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.592 -0.932 -2.826 1.00 0.00 H new ATOM 631 N ASP A 42 -7.657 0.411 -10.333 1.00 0.00 N ATOM 632 CA ASP A 42 -7.059 0.948 -11.559 1.00 0.00 C ATOM 633 C ASP A 42 -5.863 1.862 -11.228 1.00 0.00 C ATOM 634 O ASP A 42 -6.012 3.071 -11.040 1.00 0.00 O ATOM 635 CB ASP A 42 -8.129 1.670 -12.394 1.00 0.00 C ATOM 636 CG ASP A 42 -9.116 0.684 -13.038 1.00 0.00 C ATOM 637 OD1 ASP A 42 -8.723 -0.024 -13.996 1.00 0.00 O ATOM 638 OD2 ASP A 42 -10.292 0.625 -12.603 1.00 0.00 O ATOM 0 H ASP A 42 -8.522 0.881 -10.068 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.671 0.125 -12.159 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.675 2.368 -11.759 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.645 2.260 -13.173 1.00 0.00 H new ATOM 643 N LYS A 43 -4.656 1.285 -11.156 1.00 0.00 N ATOM 644 CA LYS A 43 -3.391 1.993 -10.864 1.00 0.00 C ATOM 645 C LYS A 43 -3.149 3.213 -11.770 1.00 0.00 C ATOM 646 O LYS A 43 -2.697 4.257 -11.301 1.00 0.00 O ATOM 647 CB LYS A 43 -2.221 0.986 -10.897 1.00 0.00 C ATOM 648 CG LYS A 43 -1.914 0.413 -12.295 1.00 0.00 C ATOM 649 CD LYS A 43 -0.852 -0.697 -12.294 1.00 0.00 C ATOM 650 CE LYS A 43 0.548 -0.165 -11.954 1.00 0.00 C ATOM 651 NZ LYS A 43 1.582 -1.226 -12.094 1.00 0.00 N ATOM 0 H LYS A 43 -4.523 0.284 -11.303 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.465 2.413 -9.861 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.326 1.475 -10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.448 0.161 -10.221 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.835 0.021 -12.726 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.578 1.223 -12.943 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.132 -1.464 -11.572 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.829 -1.175 -13.273 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.791 0.670 -12.611 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.555 0.219 -10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.516 -0.834 -11.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.363 -2.012 -11.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.591 -1.575 -13.074 1.00 0.00 H new ATOM 665 N SER A 44 -3.507 3.083 -13.051 1.00 0.00 N ATOM 666 CA SER A 44 -3.457 4.132 -14.080 1.00 0.00 C ATOM 667 C SER A 44 -4.393 5.305 -13.754 1.00 0.00 C ATOM 668 O SER A 44 -3.960 6.457 -13.763 1.00 0.00 O ATOM 669 CB SER A 44 -3.804 3.525 -15.446 1.00 0.00 C ATOM 670 OG SER A 44 -3.644 4.473 -16.488 1.00 0.00 O ATOM 0 H SER A 44 -3.858 2.199 -13.419 1.00 0.00 H new ATOM 0 HA SER A 44 -2.444 4.534 -14.106 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.165 2.662 -15.635 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.832 3.164 -15.435 1.00 0.00 H new ATOM 0 HG SER A 44 -3.871 4.057 -17.346 1.00 0.00 H new ATOM 676 N LEU A 45 -5.655 5.021 -13.400 1.00 0.00 N ATOM 677 CA LEU A 45 -6.623 6.023 -12.932 1.00 0.00 C ATOM 678 C LEU A 45 -6.109 6.737 -11.680 1.00 0.00 C ATOM 679 O LEU A 45 -6.145 7.962 -11.609 1.00 0.00 O ATOM 680 CB LEU A 45 -7.985 5.341 -12.695 1.00 0.00 C ATOM 681 CG LEU A 45 -9.173 6.208 -12.225 1.00 0.00 C ATOM 682 CD1 LEU A 45 -9.142 6.591 -10.742 1.00 0.00 C ATOM 683 CD2 LEU A 45 -9.366 7.469 -13.068 1.00 0.00 C ATOM 0 H LEU A 45 -6.037 4.076 -13.431 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.753 6.791 -13.695 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.278 4.854 -13.625 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.837 4.554 -11.956 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.028 5.547 -12.370 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.015 7.199 -10.505 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.153 5.687 -10.133 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.236 7.160 -10.532 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.216 8.035 -12.687 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.467 8.084 -13.014 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.552 7.189 -14.105 1.00 0.00 H new ATOM 695 N PHE A 46 -5.611 5.986 -10.698 1.00 0.00 N ATOM 696 CA PHE A 46 -5.102 6.536 -9.446 1.00 0.00 C ATOM 697 C PHE A 46 -3.992 7.585 -9.678 1.00 0.00 C ATOM 698 O PHE A 46 -4.130 8.726 -9.227 1.00 0.00 O ATOM 699 CB PHE A 46 -4.671 5.384 -8.532 1.00 0.00 C ATOM 700 CG PHE A 46 -3.680 5.811 -7.477 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.076 6.656 -6.425 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.333 5.434 -7.613 1.00 0.00 C ATOM 703 CE1 PHE A 46 -3.118 7.137 -5.518 1.00 0.00 C ATOM 704 CE2 PHE A 46 -1.387 5.877 -6.679 1.00 0.00 C ATOM 705 CZ PHE A 46 -1.773 6.745 -5.642 1.00 0.00 C ATOM 0 H PHE A 46 -5.550 4.969 -10.752 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.898 7.085 -8.943 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.552 4.963 -8.047 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.231 4.592 -9.137 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.114 6.934 -6.315 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.028 4.804 -8.436 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.414 7.808 -4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.360 5.551 -6.756 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.037 7.110 -4.941 1.00 0.00 H new ATOM 715 N VAL A 47 -2.915 7.252 -10.408 1.00 0.00 N ATOM 716 CA VAL A 47 -1.890 8.247 -10.775 1.00 0.00 C ATOM 717 C VAL A 47 -2.425 9.409 -11.590 1.00 0.00 C ATOM 718 O VAL A 47 -2.106 10.556 -11.288 1.00 0.00 O ATOM 719 CB VAL A 47 -0.689 7.624 -11.484 1.00 0.00 C ATOM 720 CG1 VAL A 47 -0.897 6.951 -12.837 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.448 8.635 -11.654 1.00 0.00 C ATOM 0 H VAL A 47 -2.731 6.310 -10.754 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.558 8.649 -9.818 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.456 6.813 -10.794 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.054 6.562 -13.200 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.607 6.131 -12.730 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.287 7.678 -13.549 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.286 8.158 -12.162 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.098 9.480 -12.247 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.771 8.988 -10.674 1.00 0.00 H new ATOM 731 N SER A 48 -3.235 9.139 -12.611 1.00 0.00 N ATOM 732 CA SER A 48 -3.740 10.198 -13.485 1.00 0.00 C ATOM 733 C SER A 48 -4.658 11.177 -12.742 1.00 0.00 C ATOM 734 O SER A 48 -4.689 12.372 -13.043 1.00 0.00 O ATOM 735 CB SER A 48 -4.404 9.590 -14.720 1.00 0.00 C ATOM 736 OG SER A 48 -5.739 9.164 -14.502 1.00 0.00 O ATOM 0 H SER A 48 -3.555 8.201 -12.854 1.00 0.00 H new ATOM 0 HA SER A 48 -2.892 10.794 -13.822 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.394 10.325 -15.525 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.812 8.739 -15.058 1.00 0.00 H new ATOM 0 HG SER A 48 -5.822 8.798 -13.597 1.00 0.00 H new ATOM 742 N ALA A 49 -5.339 10.680 -11.707 1.00 0.00 N ATOM 743 CA ALA A 49 -6.104 11.477 -10.753 1.00 0.00 C ATOM 744 C ALA A 49 -5.179 12.328 -9.876 1.00 0.00 C ATOM 745 O ALA A 49 -5.382 13.539 -9.783 1.00 0.00 O ATOM 746 CB ALA A 49 -6.997 10.561 -9.905 1.00 0.00 C ATOM 0 H ALA A 49 -5.373 9.681 -11.506 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.744 12.166 -11.305 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.565 11.162 -9.195 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.685 10.020 -10.555 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.376 9.849 -9.362 1.00 0.00 H new ATOM 752 N PHE A 50 -4.144 11.723 -9.278 1.00 0.00 N ATOM 753 CA PHE A 50 -3.087 12.445 -8.563 1.00 0.00 C ATOM 754 C PHE A 50 -2.548 13.605 -9.402 1.00 0.00 C ATOM 755 O PHE A 50 -2.649 14.749 -8.967 1.00 0.00 O ATOM 756 CB PHE A 50 -1.998 11.470 -8.075 1.00 0.00 C ATOM 757 CG PHE A 50 -0.599 12.059 -7.994 1.00 0.00 C ATOM 758 CD1 PHE A 50 0.247 11.991 -9.117 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.143 12.684 -6.819 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.520 12.578 -9.089 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.147 13.245 -6.776 1.00 0.00 C ATOM 762 CZ PHE A 50 1.976 13.195 -7.912 1.00 0.00 C ATOM 0 H PHE A 50 -4.017 10.711 -9.278 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.508 12.902 -7.667 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.278 11.100 -7.089 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.976 10.609 -8.744 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.088 11.482 -10.009 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.783 12.733 -5.950 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.147 12.556 -9.968 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.501 13.714 -5.870 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.963 13.631 -7.879 1.00 0.00 H new ATOM 772 N GLU A 51 -2.029 13.351 -10.610 1.00 0.00 N ATOM 773 CA GLU A 51 -1.335 14.392 -11.379 1.00 0.00 C ATOM 774 C GLU A 51 -2.252 15.540 -11.835 1.00 0.00 C ATOM 775 O GLU A 51 -1.776 16.657 -12.057 1.00 0.00 O ATOM 776 CB GLU A 51 -0.499 13.822 -12.536 1.00 0.00 C ATOM 777 CG GLU A 51 -1.286 13.071 -13.598 1.00 0.00 C ATOM 778 CD GLU A 51 -0.473 12.909 -14.896 1.00 0.00 C ATOM 779 OE1 GLU A 51 -0.536 13.807 -15.772 1.00 0.00 O ATOM 780 OE2 GLU A 51 0.229 11.880 -15.058 1.00 0.00 O ATOM 0 H GLU A 51 -2.075 12.443 -11.072 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.632 14.839 -10.675 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.035 14.643 -13.015 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.254 13.151 -12.122 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.566 12.088 -13.218 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.212 13.605 -13.812 1.00 0.00 H new ATOM 787 N THR A 52 -3.562 15.284 -11.890 1.00 0.00 N ATOM 788 CA THR A 52 -4.627 16.286 -12.057 1.00 0.00 C ATOM 789 C THR A 52 -4.824 17.099 -10.770 1.00 0.00 C ATOM 790 O THR A 52 -4.702 18.325 -10.787 1.00 0.00 O ATOM 791 CB THR A 52 -5.949 15.619 -12.488 1.00 0.00 C ATOM 792 OG1 THR A 52 -5.779 14.933 -13.712 1.00 0.00 O ATOM 793 CG2 THR A 52 -7.076 16.630 -12.707 1.00 0.00 C ATOM 0 H THR A 52 -3.928 14.335 -11.817 1.00 0.00 H new ATOM 0 HA THR A 52 -4.319 16.971 -12.847 1.00 0.00 H new ATOM 0 HB THR A 52 -6.217 14.943 -11.676 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.404 14.044 -13.540 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.982 16.105 -13.009 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.263 17.173 -11.781 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.787 17.333 -13.488 1.00 0.00 H new ATOM 801 N PHE A 53 -5.109 16.444 -9.638 1.00 0.00 N ATOM 802 CA PHE A 53 -5.362 17.097 -8.345 1.00 0.00 C ATOM 803 C PHE A 53 -4.132 17.774 -7.704 1.00 0.00 C ATOM 804 O PHE A 53 -4.319 18.562 -6.775 1.00 0.00 O ATOM 805 CB PHE A 53 -6.042 16.110 -7.379 1.00 0.00 C ATOM 806 CG PHE A 53 -7.527 15.903 -7.641 1.00 0.00 C ATOM 807 CD1 PHE A 53 -8.431 16.963 -7.429 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.020 14.655 -8.065 1.00 0.00 C ATOM 809 CE1 PHE A 53 -9.808 16.779 -7.656 1.00 0.00 C ATOM 810 CE2 PHE A 53 -9.395 14.465 -8.289 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.290 15.531 -8.089 1.00 0.00 C ATOM 0 H PHE A 53 -5.172 15.427 -9.593 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.038 17.926 -8.555 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.535 15.147 -7.445 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -5.911 16.470 -6.358 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.066 17.921 -7.091 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.335 13.835 -8.220 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.495 17.597 -7.497 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.763 13.503 -8.614 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.346 15.391 -8.268 1.00 0.00 H new ATOM 821 N ARG A 54 -2.900 17.577 -8.214 1.00 0.00 N ATOM 822 CA ARG A 54 -1.685 18.320 -7.797 1.00 0.00 C ATOM 823 C ARG A 54 -1.920 19.827 -7.723 1.00 0.00 C ATOM 824 O ARG A 54 -1.410 20.478 -6.820 1.00 0.00 O ATOM 825 CB ARG A 54 -0.501 18.064 -8.752 1.00 0.00 C ATOM 826 CG ARG A 54 0.139 16.676 -8.603 1.00 0.00 C ATOM 827 CD ARG A 54 1.259 16.364 -9.611 1.00 0.00 C ATOM 828 NE ARG A 54 0.963 16.804 -10.987 1.00 0.00 N ATOM 829 CZ ARG A 54 1.801 16.832 -12.006 1.00 0.00 C ATOM 830 NH1 ARG A 54 3.035 16.423 -11.913 1.00 0.00 N ATOM 831 NH2 ARG A 54 1.388 17.265 -13.163 1.00 0.00 N ATOM 0 H ARG A 54 -2.714 16.886 -8.940 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.445 17.946 -6.802 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.845 18.185 -9.779 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.261 18.824 -8.579 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.543 16.585 -7.595 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.640 15.921 -8.704 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.179 16.843 -9.277 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.442 15.290 -9.615 1.00 0.00 H new ATOM 0 HE ARG A 54 0.011 17.120 -11.170 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.388 16.063 -11.026 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.648 16.463 -12.727 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.424 17.579 -13.276 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.029 17.290 -13.956 1.00 0.00 H new ATOM 845 N GLU A 55 -2.701 20.378 -8.654 1.00 0.00 N ATOM 846 CA GLU A 55 -2.938 21.821 -8.800 1.00 0.00 C ATOM 847 C GLU A 55 -3.686 22.488 -7.630 1.00 0.00 C ATOM 848 O GLU A 55 -3.738 23.717 -7.552 1.00 0.00 O ATOM 849 CB GLU A 55 -3.653 22.112 -10.125 1.00 0.00 C ATOM 850 CG GLU A 55 -2.889 21.542 -11.329 1.00 0.00 C ATOM 851 CD GLU A 55 -2.909 22.518 -12.517 1.00 0.00 C ATOM 852 OE1 GLU A 55 -2.010 23.393 -12.574 1.00 0.00 O ATOM 853 OE2 GLU A 55 -3.806 22.422 -13.389 1.00 0.00 O ATOM 0 H GLU A 55 -3.201 19.821 -9.347 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.946 22.272 -8.793 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.656 21.685 -10.097 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.768 23.189 -10.246 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.858 21.335 -11.043 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.333 20.593 -11.628 1.00 0.00 H new ATOM 860 N GLU A 56 -4.217 21.707 -6.688 1.00 0.00 N ATOM 861 CA GLU A 56 -4.682 22.203 -5.381 1.00 0.00 C ATOM 862 C GLU A 56 -3.543 22.852 -4.554 1.00 0.00 C ATOM 863 O GLU A 56 -3.812 23.693 -3.692 1.00 0.00 O ATOM 864 CB GLU A 56 -5.357 21.045 -4.613 1.00 0.00 C ATOM 865 CG GLU A 56 -6.673 21.417 -3.912 1.00 0.00 C ATOM 866 CD GLU A 56 -6.511 22.349 -2.694 1.00 0.00 C ATOM 867 OE1 GLU A 56 -6.022 21.891 -1.632 1.00 0.00 O ATOM 868 OE2 GLU A 56 -6.953 23.522 -2.766 1.00 0.00 O ATOM 0 H GLU A 56 -4.340 20.701 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.411 22.996 -5.551 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.551 20.230 -5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.658 20.667 -3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.331 21.898 -4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.169 20.502 -3.589 1.00 0.00 H new ATOM 875 N SER A 57 -2.274 22.517 -4.840 1.00 0.00 N ATOM 876 CA SER A 57 -1.079 22.922 -4.078 1.00 0.00 C ATOM 877 C SER A 57 0.120 23.248 -4.987 1.00 0.00 C ATOM 878 O SER A 57 0.497 22.460 -5.851 1.00 0.00 O ATOM 879 CB SER A 57 -0.697 21.788 -3.115 1.00 0.00 C ATOM 880 OG SER A 57 -1.737 21.538 -2.184 1.00 0.00 O ATOM 0 H SER A 57 -2.042 21.932 -5.642 1.00 0.00 H new ATOM 0 HA SER A 57 -1.325 23.833 -3.532 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.486 20.881 -3.682 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.217 22.051 -2.582 1.00 0.00 H new ATOM 0 HG SER A 57 -1.543 20.714 -1.690 1.00 0.00 H new ATOM 886 N LEU A 58 0.776 24.396 -4.783 1.00 0.00 N ATOM 887 CA LEU A 58 1.891 24.867 -5.625 1.00 0.00 C ATOM 888 C LEU A 58 3.091 23.906 -5.617 1.00 0.00 C ATOM 889 O LEU A 58 3.640 23.583 -6.670 1.00 0.00 O ATOM 890 CB LEU A 58 2.321 26.286 -5.188 1.00 0.00 C ATOM 891 CG LEU A 58 1.623 27.456 -5.912 1.00 0.00 C ATOM 892 CD1 LEU A 58 2.037 27.548 -7.384 1.00 0.00 C ATOM 893 CD2 LEU A 58 0.097 27.396 -5.837 1.00 0.00 C ATOM 0 H LEU A 58 0.548 25.034 -4.021 1.00 0.00 H new ATOM 0 HA LEU A 58 1.529 24.899 -6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.139 26.386 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.396 26.381 -5.339 1.00 0.00 H new ATOM 0 HG LEU A 58 1.955 28.346 -5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.522 28.385 -7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.114 27.701 -7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.770 26.623 -7.896 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.327 28.249 -6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.254 26.472 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.217 27.424 -4.794 1.00 0.00 H new ATOM 905 N VAL A 59 3.477 23.421 -4.434 1.00 0.00 N ATOM 906 CA VAL A 59 4.652 22.548 -4.229 1.00 0.00 C ATOM 907 C VAL A 59 4.468 21.149 -4.830 1.00 0.00 C ATOM 908 O VAL A 59 5.441 20.459 -5.131 1.00 0.00 O ATOM 909 CB VAL A 59 5.030 22.435 -2.735 1.00 0.00 C ATOM 910 CG1 VAL A 59 5.030 23.793 -2.019 1.00 0.00 C ATOM 911 CG2 VAL A 59 4.109 21.500 -1.945 1.00 0.00 C ATOM 0 H VAL A 59 2.976 23.624 -3.569 1.00 0.00 H new ATOM 0 HA VAL A 59 5.471 23.030 -4.762 1.00 0.00 H new ATOM 0 HB VAL A 59 6.038 22.021 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.302 23.653 -0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.752 24.456 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.036 24.236 -2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.431 21.467 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.085 21.869 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.155 20.498 -2.371 1.00 0.00 H new ATOM 921 N CYS A 60 3.210 20.732 -5.007 1.00 0.00 N ATOM 922 CA CYS A 60 2.807 19.434 -5.536 1.00 0.00 C ATOM 923 C CYS A 60 2.927 19.346 -7.056 1.00 0.00 C ATOM 924 O CYS A 60 3.062 18.246 -7.582 1.00 0.00 O ATOM 925 CB CYS A 60 1.350 19.187 -5.126 1.00 0.00 C ATOM 926 SG CYS A 60 1.308 18.664 -3.387 1.00 0.00 S ATOM 0 H CYS A 60 2.411 21.321 -4.773 1.00 0.00 H new ATOM 0 HA CYS A 60 3.477 18.679 -5.125 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.762 20.095 -5.261 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.905 18.421 -5.761 1.00 0.00 H new ATOM 0 HG CYS A 60 0.117 18.859 -2.904 1.00 0.00 H new ATOM 932 N LYS A 61 2.890 20.470 -7.779 1.00 0.00 N ATOM 933 CA LYS A 61 2.893 20.473 -9.256 1.00 0.00 C ATOM 934 C LYS A 61 4.193 19.955 -9.894 1.00 0.00 C ATOM 935 O LYS A 61 4.181 19.555 -11.057 1.00 0.00 O ATOM 936 CB LYS A 61 2.517 21.875 -9.753 1.00 0.00 C ATOM 937 CG LYS A 61 0.998 22.085 -9.608 1.00 0.00 C ATOM 938 CD LYS A 61 0.602 23.562 -9.507 1.00 0.00 C ATOM 939 CE LYS A 61 1.109 24.471 -10.640 1.00 0.00 C ATOM 940 NZ LYS A 61 0.621 24.051 -11.983 1.00 0.00 N ATOM 0 H LYS A 61 2.857 21.402 -7.365 1.00 0.00 H new ATOM 0 HA LYS A 61 2.143 19.753 -9.583 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.055 22.631 -9.181 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.813 21.994 -10.795 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.492 21.637 -10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.648 21.560 -8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.486 23.625 -9.475 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.972 23.954 -8.560 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.790 25.495 -10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.199 24.471 -10.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.804 24.809 -12.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.119 23.187 -12.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.401 23.864 -11.938 1.00 0.00 H new ATOM 954 N ASP A 62 5.287 19.898 -9.134 1.00 0.00 N ATOM 955 CA ASP A 62 6.547 19.249 -9.524 1.00 0.00 C ATOM 956 C ASP A 62 6.583 17.728 -9.237 1.00 0.00 C ATOM 957 O ASP A 62 7.454 17.031 -9.764 1.00 0.00 O ATOM 958 CB ASP A 62 7.708 19.945 -8.795 1.00 0.00 C ATOM 959 CG ASP A 62 7.963 21.358 -9.342 1.00 0.00 C ATOM 960 OD1 ASP A 62 8.667 21.488 -10.372 1.00 0.00 O ATOM 961 OD2 ASP A 62 7.485 22.344 -8.734 1.00 0.00 O ATOM 0 H ASP A 62 5.326 20.313 -8.203 1.00 0.00 H new ATOM 0 HA ASP A 62 6.639 19.352 -10.605 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.485 20.003 -7.730 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.613 19.347 -8.899 1.00 0.00 H new ATOM 966 N ALA A 63 5.664 17.199 -8.417 1.00 0.00 N ATOM 967 CA ALA A 63 5.711 15.825 -7.914 1.00 0.00 C ATOM 968 C ALA A 63 5.291 14.760 -8.949 1.00 0.00 C ATOM 969 O ALA A 63 4.483 15.018 -9.849 1.00 0.00 O ATOM 970 CB ALA A 63 4.828 15.724 -6.663 1.00 0.00 C ATOM 0 H ALA A 63 4.856 17.724 -8.081 1.00 0.00 H new ATOM 0 HA ALA A 63 6.753 15.609 -7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.856 14.704 -6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.198 16.409 -5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.802 15.988 -6.920 1.00 0.00 H new ATOM 976 N ILE A 64 5.775 13.531 -8.740 1.00 0.00 N ATOM 977 CA ILE A 64 5.494 12.308 -9.515 1.00 0.00 C ATOM 978 C ILE A 64 5.012 11.184 -8.572 1.00 0.00 C ATOM 979 O ILE A 64 5.413 11.127 -7.407 1.00 0.00 O ATOM 980 CB ILE A 64 6.770 11.913 -10.308 1.00 0.00 C ATOM 981 CG1 ILE A 64 7.122 13.010 -11.346 1.00 0.00 C ATOM 982 CG2 ILE A 64 6.643 10.541 -10.997 1.00 0.00 C ATOM 983 CD1 ILE A 64 8.438 12.790 -12.103 1.00 0.00 C ATOM 0 H ILE A 64 6.420 13.347 -7.971 1.00 0.00 H new ATOM 0 HA ILE A 64 4.692 12.483 -10.232 1.00 0.00 H new ATOM 0 HB ILE A 64 7.580 11.828 -9.583 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.311 13.077 -12.071 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.172 13.971 -10.834 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.564 10.318 -11.536 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.467 9.771 -10.246 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.809 10.562 -11.698 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.595 13.609 -12.805 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.265 12.756 -11.393 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.390 11.848 -12.650 1.00 0.00 H new ATOM 995 N LEU A 65 4.162 10.273 -9.061 1.00 0.00 N ATOM 996 CA LEU A 65 3.725 9.086 -8.318 1.00 0.00 C ATOM 997 C LEU A 65 4.631 7.885 -8.642 1.00 0.00 C ATOM 998 O LEU A 65 4.787 7.509 -9.807 1.00 0.00 O ATOM 999 CB LEU A 65 2.261 8.781 -8.680 1.00 0.00 C ATOM 1000 CG LEU A 65 1.406 8.106 -7.593 1.00 0.00 C ATOM 1001 CD1 LEU A 65 2.096 6.978 -6.846 1.00 0.00 C ATOM 1002 CD2 LEU A 65 0.878 9.129 -6.592 1.00 0.00 C ATOM 0 H LEU A 65 3.754 10.340 -9.994 1.00 0.00 H new ATOM 0 HA LEU A 65 3.798 9.277 -7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.778 9.717 -8.960 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.255 8.142 -9.563 1.00 0.00 H new ATOM 0 HG LEU A 65 0.581 7.651 -8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.416 6.565 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.381 6.196 -7.550 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.987 7.362 -6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.278 8.622 -5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.716 9.634 -6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.262 9.863 -7.112 1.00 0.00 H new ATOM 1014 N ASP A 66 5.181 7.248 -7.611 1.00 0.00 N ATOM 1015 CA ASP A 66 6.004 6.033 -7.710 1.00 0.00 C ATOM 1016 C ASP A 66 5.226 4.810 -7.194 1.00 0.00 C ATOM 1017 O ASP A 66 5.295 4.437 -6.020 1.00 0.00 O ATOM 1018 CB ASP A 66 7.362 6.236 -7.016 1.00 0.00 C ATOM 1019 CG ASP A 66 8.408 6.862 -7.954 1.00 0.00 C ATOM 1020 OD1 ASP A 66 8.138 7.909 -8.585 1.00 0.00 O ATOM 1021 OD2 ASP A 66 9.534 6.319 -8.035 1.00 0.00 O ATOM 0 H ASP A 66 5.066 7.569 -6.650 1.00 0.00 H new ATOM 0 HA ASP A 66 6.228 5.833 -8.758 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.230 6.876 -6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.730 5.276 -6.654 1.00 0.00 H new ATOM 1026 N ILE A 67 4.440 4.195 -8.084 1.00 0.00 N ATOM 1027 CA ILE A 67 3.619 3.010 -7.792 1.00 0.00 C ATOM 1028 C ILE A 67 4.519 1.780 -7.563 1.00 0.00 C ATOM 1029 O ILE A 67 5.428 1.509 -8.353 1.00 0.00 O ATOM 1030 CB ILE A 67 2.599 2.740 -8.928 1.00 0.00 C ATOM 1031 CG1 ILE A 67 1.775 3.999 -9.301 1.00 0.00 C ATOM 1032 CG2 ILE A 67 1.655 1.599 -8.494 1.00 0.00 C ATOM 1033 CD1 ILE A 67 0.910 3.828 -10.556 1.00 0.00 C ATOM 0 H ILE A 67 4.353 4.513 -9.049 1.00 0.00 H new ATOM 0 HA ILE A 67 3.055 3.204 -6.880 1.00 0.00 H new ATOM 0 HB ILE A 67 3.158 2.455 -9.819 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.131 4.261 -8.461 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.457 4.835 -9.453 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.934 1.402 -9.287 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.238 0.698 -8.301 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.126 1.890 -7.586 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.365 4.751 -10.751 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.548 3.597 -11.409 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.202 3.014 -10.402 1.00 0.00 H new ATOM 1045 N VAL A 68 4.240 1.010 -6.507 1.00 0.00 N ATOM 1046 CA VAL A 68 4.929 -0.235 -6.122 1.00 0.00 C ATOM 1047 C VAL A 68 3.925 -1.390 -6.054 1.00 0.00 C ATOM 1048 O VAL A 68 2.910 -1.307 -5.366 1.00 0.00 O ATOM 1049 CB VAL A 68 5.677 -0.058 -4.783 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.346 -1.357 -4.315 1.00 0.00 C ATOM 1051 CG2 VAL A 68 6.776 1.004 -4.910 1.00 0.00 C ATOM 0 H VAL A 68 3.488 1.247 -5.860 1.00 0.00 H new ATOM 0 HA VAL A 68 5.674 -0.474 -6.881 1.00 0.00 H new ATOM 0 HB VAL A 68 4.924 0.245 -4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.859 -1.182 -3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.588 -2.128 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.067 -1.685 -5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.290 1.112 -3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.491 0.698 -5.674 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.330 1.958 -5.192 1.00 0.00 H new ATOM 1061 N ASP A 69 4.205 -2.472 -6.781 1.00 0.00 N ATOM 1062 CA ASP A 69 3.422 -3.715 -6.777 1.00 0.00 C ATOM 1063 C ASP A 69 3.621 -4.506 -5.465 1.00 0.00 C ATOM 1064 O ASP A 69 4.658 -5.138 -5.254 1.00 0.00 O ATOM 1065 CB ASP A 69 3.806 -4.544 -8.012 1.00 0.00 C ATOM 1066 CG ASP A 69 2.948 -5.813 -8.143 1.00 0.00 C ATOM 1067 OD1 ASP A 69 1.730 -5.682 -8.404 1.00 0.00 O ATOM 1068 OD2 ASP A 69 3.495 -6.935 -8.023 1.00 0.00 O ATOM 0 H ASP A 69 5.007 -2.512 -7.410 1.00 0.00 H new ATOM 0 HA ASP A 69 2.360 -3.476 -6.827 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.691 -3.934 -8.908 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.858 -4.822 -7.949 1.00 0.00 H new ATOM 1073 N GLU A 70 2.648 -4.440 -4.555 1.00 0.00 N ATOM 1074 CA GLU A 70 2.668 -5.141 -3.262 1.00 0.00 C ATOM 1075 C GLU A 70 2.163 -6.587 -3.401 1.00 0.00 C ATOM 1076 O GLU A 70 1.023 -6.826 -3.813 1.00 0.00 O ATOM 1077 CB GLU A 70 1.817 -4.379 -2.228 1.00 0.00 C ATOM 1078 CG GLU A 70 2.578 -3.236 -1.543 1.00 0.00 C ATOM 1079 CD GLU A 70 3.573 -3.785 -0.503 1.00 0.00 C ATOM 1080 OE1 GLU A 70 3.124 -4.233 0.579 1.00 0.00 O ATOM 1081 OE2 GLU A 70 4.797 -3.795 -0.773 1.00 0.00 O ATOM 0 H GLU A 70 1.803 -3.886 -4.696 1.00 0.00 H new ATOM 0 HA GLU A 70 3.701 -5.177 -2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.934 -3.974 -2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.466 -5.079 -1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.113 -2.650 -2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.872 -2.563 -1.057 1.00 0.00 H new ATOM 1088 N LYS A 71 3.000 -7.562 -3.027 1.00 0.00 N ATOM 1089 CA LYS A 71 2.641 -8.987 -2.976 1.00 0.00 C ATOM 1090 C LYS A 71 1.479 -9.220 -2.008 1.00 0.00 C ATOM 1091 O LYS A 71 1.465 -8.642 -0.919 1.00 0.00 O ATOM 1092 CB LYS A 71 3.856 -9.838 -2.558 1.00 0.00 C ATOM 1093 CG LYS A 71 5.054 -9.792 -3.522 1.00 0.00 C ATOM 1094 CD LYS A 71 4.722 -10.330 -4.926 1.00 0.00 C ATOM 1095 CE LYS A 71 5.952 -10.375 -5.842 1.00 0.00 C ATOM 1096 NZ LYS A 71 6.929 -11.423 -5.439 1.00 0.00 N ATOM 0 H LYS A 71 3.964 -7.381 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 71 2.327 -9.291 -3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.189 -9.507 -1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.534 -10.874 -2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.404 -8.763 -3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.874 -10.374 -3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.301 -11.332 -4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.956 -9.702 -5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.630 -10.559 -6.867 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.444 -9.402 -5.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.707 -11.456 -6.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.310 -11.199 -4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.454 -12.348 -5.409 1.00 0.00 H new ATOM 1110 N VAL A 72 0.514 -10.052 -2.393 1.00 0.00 N ATOM 1111 CA VAL A 72 -0.653 -10.399 -1.562 1.00 0.00 C ATOM 1112 C VAL A 72 -0.325 -11.522 -0.564 1.00 0.00 C ATOM 1113 O VAL A 72 0.614 -12.295 -0.770 1.00 0.00 O ATOM 1114 CB VAL A 72 -1.851 -10.755 -2.470 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -1.714 -12.135 -3.120 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -3.199 -10.696 -1.746 1.00 0.00 C ATOM 0 H VAL A 72 0.514 -10.514 -3.302 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.927 -9.532 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.832 -9.987 -3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.585 -12.330 -3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.813 -12.161 -3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.647 -12.898 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.997 -10.957 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.197 -11.401 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.364 -9.688 -1.366 1.00 0.00 H new ATOM 1126 N GLU A 73 -1.111 -11.653 0.507 1.00 0.00 N ATOM 1127 CA GLU A 73 -1.004 -12.751 1.480 1.00 0.00 C ATOM 1128 C GLU A 73 -2.353 -13.069 2.158 1.00 0.00 C ATOM 1129 O GLU A 73 -3.099 -12.169 2.557 1.00 0.00 O ATOM 1130 CB GLU A 73 0.091 -12.422 2.513 1.00 0.00 C ATOM 1131 CG GLU A 73 1.005 -13.623 2.766 1.00 0.00 C ATOM 1132 CD GLU A 73 2.197 -13.255 3.674 1.00 0.00 C ATOM 1133 OE1 GLU A 73 1.984 -12.778 4.815 1.00 0.00 O ATOM 1134 OE2 GLU A 73 3.363 -13.445 3.252 1.00 0.00 O ATOM 0 H GLU A 73 -1.853 -10.990 0.729 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.720 -13.656 0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.685 -11.580 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.373 -12.113 3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.431 -14.426 3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.377 -14.004 1.815 1.00 0.00 H new ATOM 1141 N LEU A 74 -2.664 -14.365 2.274 1.00 0.00 N ATOM 1142 CA LEU A 74 -3.947 -14.952 2.681 1.00 0.00 C ATOM 1143 C LEU A 74 -3.791 -15.768 3.973 1.00 0.00 C ATOM 1144 O LEU A 74 -3.370 -16.926 3.986 1.00 0.00 O ATOM 1145 CB LEU A 74 -4.520 -15.816 1.535 1.00 0.00 C ATOM 1146 CG LEU A 74 -5.338 -15.121 0.428 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -6.709 -14.677 0.929 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -4.655 -13.903 -0.194 1.00 0.00 C ATOM 0 H LEU A 74 -1.972 -15.087 2.070 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.652 -14.147 2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.685 -16.329 1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.152 -16.583 1.982 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.433 -15.887 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.253 -14.192 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.270 -15.546 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.585 -13.975 1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.300 -13.477 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.468 -13.157 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.709 -14.206 -0.642 1.00 0.00 H new ATOM 1160 N GLU A 75 -4.097 -15.098 5.074 1.00 0.00 N ATOM 1161 CA GLU A 75 -4.275 -15.590 6.436 1.00 0.00 C ATOM 1162 C GLU A 75 -5.616 -16.317 6.624 1.00 0.00 C ATOM 1163 O GLU A 75 -6.545 -16.138 5.839 1.00 0.00 O ATOM 1164 CB GLU A 75 -4.174 -14.325 7.301 1.00 0.00 C ATOM 1165 CG GLU A 75 -4.525 -14.379 8.781 1.00 0.00 C ATOM 1166 CD GLU A 75 -3.538 -15.226 9.608 1.00 0.00 C ATOM 1167 OE1 GLU A 75 -3.555 -16.472 9.484 1.00 0.00 O ATOM 1168 OE2 GLU A 75 -2.742 -14.643 10.383 1.00 0.00 O ATOM 0 H GLU A 75 -4.242 -14.089 5.033 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.530 -16.338 6.706 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.149 -13.963 7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.814 -13.570 6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.547 -13.365 9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.529 -14.788 8.895 1.00 0.00 H new ATOM 1175 N CYS A 76 -5.733 -17.113 7.685 1.00 0.00 N ATOM 1176 CA CYS A 76 -6.949 -17.820 8.080 1.00 0.00 C ATOM 1177 C CYS A 76 -7.686 -17.122 9.246 1.00 0.00 C ATOM 1178 O CYS A 76 -7.102 -16.374 10.038 1.00 0.00 O ATOM 1179 CB CYS A 76 -6.505 -19.221 8.482 1.00 0.00 C ATOM 1180 SG CYS A 76 -7.896 -20.402 8.475 1.00 0.00 S ATOM 0 H CYS A 76 -4.953 -17.290 8.318 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.662 -17.838 7.256 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -5.731 -19.567 7.797 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.060 -19.190 9.477 1.00 0.00 H new ATOM 0 HG CYS A 76 -7.494 -21.543 7.999 1.00 0.00 H new ATOM 1185 N LYS A 77 -8.986 -17.402 9.378 1.00 0.00 N ATOM 1186 CA LYS A 77 -9.892 -16.825 10.391 1.00 0.00 C ATOM 1187 C LYS A 77 -9.507 -17.124 11.845 1.00 0.00 C ATOM 1188 O LYS A 77 -9.276 -16.199 12.624 1.00 0.00 O ATOM 1189 CB LYS A 77 -11.340 -17.272 10.108 1.00 0.00 C ATOM 1190 CG LYS A 77 -12.001 -16.511 8.947 1.00 0.00 C ATOM 1191 CD LYS A 77 -12.279 -15.025 9.231 1.00 0.00 C ATOM 1192 CE LYS A 77 -13.255 -14.742 10.380 1.00 0.00 C ATOM 1193 NZ LYS A 77 -14.644 -15.179 10.074 1.00 0.00 N ATOM 0 H LYS A 77 -9.460 -18.062 8.761 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.800 -15.743 10.294 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.345 -18.338 9.883 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.937 -17.134 11.009 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.359 -16.586 8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.942 -17.002 8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.332 -14.532 9.452 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.672 -14.567 8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.908 -15.251 11.279 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.254 -13.674 10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.262 -14.965 10.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.989 -14.675 9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.654 -16.203 9.893 1.00 0.00 H new ATOM 1207 N ASP A 78 -9.493 -18.399 12.219 1.00 0.00 N ATOM 1208 CA ASP A 78 -9.317 -18.879 13.601 1.00 0.00 C ATOM 1209 C ASP A 78 -8.271 -20.010 13.666 1.00 0.00 C ATOM 1210 O ASP A 78 -8.568 -21.159 14.011 1.00 0.00 O ATOM 1211 CB ASP A 78 -10.690 -19.262 14.182 1.00 0.00 C ATOM 1212 CG ASP A 78 -10.629 -19.655 15.672 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -9.877 -19.013 16.446 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -11.373 -20.576 16.087 1.00 0.00 O ATOM 0 H ASP A 78 -9.607 -19.161 11.550 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.914 -18.084 14.228 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.375 -18.423 14.062 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.101 -20.094 13.610 1.00 0.00 H new ATOM 1219 N CYS A 79 -7.045 -19.669 13.259 1.00 0.00 N ATOM 1220 CA CYS A 79 -5.964 -20.586 12.892 1.00 0.00 C ATOM 1221 C CYS A 79 -4.585 -20.068 13.361 1.00 0.00 C ATOM 1222 O CYS A 79 -4.488 -19.258 14.289 1.00 0.00 O ATOM 1223 CB CYS A 79 -6.035 -20.712 11.367 1.00 0.00 C ATOM 1224 SG CYS A 79 -5.872 -22.405 10.747 1.00 0.00 S ATOM 0 H CYS A 79 -6.766 -18.692 13.172 1.00 0.00 H new ATOM 0 HA CYS A 79 -6.082 -21.554 13.378 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.986 -20.303 11.025 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -5.248 -20.100 10.927 1.00 0.00 H new ATOM 0 HG CYS A 79 -7.004 -22.792 10.238 1.00 0.00 H new ATOM 1229 N SER A 80 -3.516 -20.524 12.700 1.00 0.00 N ATOM 1230 CA SER A 80 -2.133 -20.071 12.940 1.00 0.00 C ATOM 1231 C SER A 80 -1.234 -20.025 11.688 1.00 0.00 C ATOM 1232 O SER A 80 -0.014 -19.885 11.815 1.00 0.00 O ATOM 1233 CB SER A 80 -1.495 -20.898 14.067 1.00 0.00 C ATOM 1234 OG SER A 80 -1.329 -22.259 13.700 1.00 0.00 O ATOM 0 H SER A 80 -3.584 -21.232 11.969 1.00 0.00 H new ATOM 0 HA SER A 80 -2.210 -19.028 13.248 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.526 -20.472 14.325 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.118 -20.837 14.959 1.00 0.00 H new ATOM 0 HG SER A 80 -0.919 -22.750 14.442 1.00 0.00 H new ATOM 1240 N HIS A 81 -1.802 -20.132 10.477 1.00 0.00 N ATOM 1241 CA HIS A 81 -1.054 -20.187 9.214 1.00 0.00 C ATOM 1242 C HIS A 81 -1.608 -19.246 8.127 1.00 0.00 C ATOM 1243 O HIS A 81 -2.819 -19.129 7.924 1.00 0.00 O ATOM 1244 CB HIS A 81 -1.016 -21.641 8.725 1.00 0.00 C ATOM 1245 CG HIS A 81 -0.330 -21.805 7.395 1.00 0.00 C ATOM 1246 ND1 HIS A 81 1.012 -21.614 7.148 1.00 0.00 N ATOM 1247 CD2 HIS A 81 -0.940 -22.114 6.210 1.00 0.00 C ATOM 1248 CE1 HIS A 81 1.214 -21.798 5.831 1.00 0.00 C ATOM 1249 NE2 HIS A 81 0.055 -22.108 5.225 1.00 0.00 N ATOM 0 H HIS A 81 -2.812 -20.184 10.347 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.044 -19.829 9.411 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -0.504 -22.253 9.468 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -2.036 -22.018 8.649 1.00 0.00 H new ATOM 0 HD1 HIS A 81 1.724 -21.376 7.839 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -1.989 -22.323 6.062 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.168 -21.710 5.333 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.685 -18.619 7.390 1.00 0.00 N ATOM 1258 CA VAL A 82 -0.901 -17.674 6.285 1.00 0.00 C ATOM 1259 C VAL A 82 0.034 -18.010 5.117 1.00 0.00 C ATOM 1260 O VAL A 82 1.204 -18.343 5.324 1.00 0.00 O ATOM 1261 CB VAL A 82 -0.735 -16.214 6.783 1.00 0.00 C ATOM 1262 CG1 VAL A 82 0.458 -15.956 7.700 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -0.616 -15.195 5.649 1.00 0.00 C ATOM 0 H VAL A 82 0.309 -18.769 7.562 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.923 -17.767 5.917 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.657 -16.084 7.349 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.476 -14.904 7.986 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.370 -16.574 8.594 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.381 -16.205 7.176 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.503 -14.195 6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.254 -15.432 5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.514 -15.230 5.033 1.00 0.00 H new ATOM 1273 N PHE A 83 -0.484 -17.930 3.889 1.00 0.00 N ATOM 1274 CA PHE A 83 0.204 -18.308 2.646 1.00 0.00 C ATOM 1275 C PHE A 83 0.000 -17.286 1.510 1.00 0.00 C ATOM 1276 O PHE A 83 -0.649 -16.256 1.695 1.00 0.00 O ATOM 1277 CB PHE A 83 -0.225 -19.739 2.260 1.00 0.00 C ATOM 1278 CG PHE A 83 -1.712 -20.028 2.055 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -2.532 -19.198 1.262 1.00 0.00 C ATOM 1280 CD2 PHE A 83 -2.264 -21.210 2.589 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -3.866 -19.543 0.996 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -3.593 -21.566 2.306 1.00 0.00 C ATOM 1283 CZ PHE A 83 -4.401 -20.732 1.516 1.00 0.00 C ATOM 0 H PHE A 83 -1.430 -17.587 3.724 1.00 0.00 H new ATOM 0 HA PHE A 83 1.280 -18.299 2.819 1.00 0.00 H new ATOM 0 HB2 PHE A 83 0.293 -20.002 1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.139 -20.414 3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.127 -18.284 0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.661 -21.846 3.220 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -4.481 -18.893 0.391 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.996 -22.488 2.699 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.426 -21.003 1.310 1.00 0.00 H new ATOM 1293 N LYS A 84 0.493 -17.595 0.303 1.00 0.00 N ATOM 1294 CA LYS A 84 0.140 -16.899 -0.950 1.00 0.00 C ATOM 1295 C LYS A 84 -0.915 -17.701 -1.741 1.00 0.00 C ATOM 1296 O LYS A 84 -0.893 -18.934 -1.677 1.00 0.00 O ATOM 1297 CB LYS A 84 1.400 -16.558 -1.775 1.00 0.00 C ATOM 1298 CG LYS A 84 2.034 -17.682 -2.616 1.00 0.00 C ATOM 1299 CD LYS A 84 2.640 -18.830 -1.798 1.00 0.00 C ATOM 1300 CE LYS A 84 3.389 -19.785 -2.735 1.00 0.00 C ATOM 1301 NZ LYS A 84 4.047 -20.888 -1.986 1.00 0.00 N ATOM 0 H LYS A 84 1.163 -18.351 0.163 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.321 -15.943 -0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.148 -15.738 -2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.159 -16.185 -1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.275 -18.090 -3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.813 -17.251 -3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.321 -18.434 -1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.854 -19.367 -1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.692 -20.204 -3.461 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.139 -19.229 -3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.543 -21.513 -2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.730 -20.490 -1.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.328 -21.434 -1.469 1.00 0.00 H new ATOM 1315 N PRO A 85 -1.850 -17.046 -2.454 1.00 0.00 N ATOM 1316 CA PRO A 85 -2.942 -17.722 -3.152 1.00 0.00 C ATOM 1317 C PRO A 85 -2.469 -18.429 -4.437 1.00 0.00 C ATOM 1318 O PRO A 85 -1.495 -18.023 -5.075 1.00 0.00 O ATOM 1319 CB PRO A 85 -3.971 -16.621 -3.437 1.00 0.00 C ATOM 1320 CG PRO A 85 -3.140 -15.340 -3.522 1.00 0.00 C ATOM 1321 CD PRO A 85 -1.961 -15.605 -2.589 1.00 0.00 C ATOM 0 HA PRO A 85 -3.368 -18.524 -2.549 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -4.508 -16.809 -4.367 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.717 -16.559 -2.645 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.807 -15.147 -4.542 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.714 -14.470 -3.204 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.043 -15.183 -2.997 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.123 -15.137 -1.618 1.00 0.00 H new ATOM 1329 N ASN A 86 -3.197 -19.476 -4.833 1.00 0.00 N ATOM 1330 CA ASN A 86 -3.015 -20.287 -6.038 1.00 0.00 C ATOM 1331 C ASN A 86 -4.402 -20.651 -6.623 1.00 0.00 C ATOM 1332 O ASN A 86 -5.424 -20.065 -6.251 1.00 0.00 O ATOM 1333 CB ASN A 86 -2.149 -21.519 -5.679 1.00 0.00 C ATOM 1334 CG ASN A 86 -0.699 -21.166 -5.383 1.00 0.00 C ATOM 1335 OD1 ASN A 86 -0.237 -21.188 -4.251 1.00 0.00 O ATOM 1336 ND2 ASN A 86 0.081 -20.851 -6.396 1.00 0.00 N ATOM 0 H ASN A 86 -3.988 -19.803 -4.278 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.485 -19.739 -6.817 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.580 -22.017 -4.810 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.182 -22.231 -6.504 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.063 -20.628 -6.233 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.297 -20.830 -7.343 1.00 0.00 H new ATOM 1405 N GLY A 91 -7.383 -23.402 -2.736 1.00 0.00 N ATOM 1406 CA GLY A 91 -7.896 -22.196 -2.062 1.00 0.00 C ATOM 1407 C GLY A 91 -8.271 -22.394 -0.581 1.00 0.00 C ATOM 1408 O GLY A 91 -8.496 -21.418 0.135 1.00 0.00 O ATOM 0 HA2 GLY A 91 -7.143 -21.411 -2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.775 -21.842 -2.601 1.00 0.00 H new ATOM 1412 N VAL A 92 -8.340 -23.645 -0.117 1.00 0.00 N ATOM 1413 CA VAL A 92 -8.485 -24.025 1.300 1.00 0.00 C ATOM 1414 C VAL A 92 -7.242 -23.671 2.134 1.00 0.00 C ATOM 1415 O VAL A 92 -6.118 -23.696 1.627 1.00 0.00 O ATOM 1416 CB VAL A 92 -8.775 -25.533 1.446 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -10.201 -25.871 1.003 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -7.810 -26.424 0.651 1.00 0.00 C ATOM 0 H VAL A 92 -8.295 -24.454 -0.737 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.329 -23.450 1.681 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.640 -25.741 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -10.374 -26.941 1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.913 -25.320 1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.333 -25.593 -0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.074 -27.471 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.880 -26.181 -0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.790 -26.254 0.996 1.00 0.00 H new ATOM 1428 N CYS A 93 -7.429 -23.409 3.431 1.00 0.00 N ATOM 1429 CA CYS A 93 -6.347 -23.369 4.421 1.00 0.00 C ATOM 1430 C CYS A 93 -5.704 -24.772 4.560 1.00 0.00 C ATOM 1431 O CYS A 93 -6.392 -25.800 4.538 1.00 0.00 O ATOM 1432 CB CYS A 93 -6.912 -22.770 5.718 1.00 0.00 C ATOM 1433 SG CYS A 93 -5.918 -23.178 7.191 1.00 0.00 S ATOM 0 H CYS A 93 -8.348 -23.216 3.829 1.00 0.00 H new ATOM 0 HA CYS A 93 -5.525 -22.723 4.112 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -6.969 -21.686 5.615 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -7.930 -23.131 5.864 1.00 0.00 H new ATOM 0 HG CYS A 93 -5.647 -22.089 7.847 1.00 0.00 H new ATOM 1438 N GLU A 94 -4.368 -24.831 4.630 1.00 0.00 N ATOM 1439 CA GLU A 94 -3.633 -26.108 4.659 1.00 0.00 C ATOM 1440 C GLU A 94 -3.656 -26.805 6.032 1.00 0.00 C ATOM 1441 O GLU A 94 -3.456 -28.021 6.103 1.00 0.00 O ATOM 1442 CB GLU A 94 -2.216 -25.950 4.090 1.00 0.00 C ATOM 1443 CG GLU A 94 -1.175 -25.360 5.048 1.00 0.00 C ATOM 1444 CD GLU A 94 -0.337 -26.436 5.774 1.00 0.00 C ATOM 1445 OE1 GLU A 94 0.449 -27.153 5.106 1.00 0.00 O ATOM 1446 OE2 GLU A 94 -0.427 -26.551 7.019 1.00 0.00 O ATOM 0 H GLU A 94 -3.769 -24.006 4.668 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.172 -26.788 3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.866 -26.928 3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.269 -25.316 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.507 -24.704 4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.682 -24.742 5.789 1.00 0.00 H new ATOM 1453 N LYS A 95 -3.944 -26.062 7.112 1.00 0.00 N ATOM 1454 CA LYS A 95 -4.256 -26.616 8.441 1.00 0.00 C ATOM 1455 C LYS A 95 -5.702 -27.103 8.520 1.00 0.00 C ATOM 1456 O LYS A 95 -5.943 -28.259 8.883 1.00 0.00 O ATOM 1457 CB LYS A 95 -4.026 -25.573 9.539 1.00 0.00 C ATOM 1458 CG LYS A 95 -2.549 -25.209 9.710 1.00 0.00 C ATOM 1459 CD LYS A 95 -2.363 -24.179 10.826 1.00 0.00 C ATOM 1460 CE LYS A 95 -2.700 -24.714 12.221 1.00 0.00 C ATOM 1461 NZ LYS A 95 -1.635 -25.604 12.754 1.00 0.00 N ATOM 0 H LYS A 95 -3.967 -25.043 7.087 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.586 -27.462 8.594 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.593 -24.672 9.303 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.413 -25.955 10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.974 -26.106 9.939 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.158 -24.810 8.774 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.330 -23.832 10.820 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.991 -23.313 10.617 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.847 -23.877 12.904 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.642 -25.261 12.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.906 -25.942 13.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.512 -26.417 12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.741 -25.076 12.818 1.00 0.00 H new ATOM 1475 N CYS A 96 -6.648 -26.212 8.212 1.00 0.00 N ATOM 1476 CA CYS A 96 -8.091 -26.430 8.328 1.00 0.00 C ATOM 1477 C CYS A 96 -8.793 -26.292 6.957 1.00 0.00 C ATOM 1478 O CYS A 96 -8.876 -25.209 6.383 1.00 0.00 O ATOM 1479 CB CYS A 96 -8.654 -25.598 9.504 1.00 0.00 C ATOM 1480 SG CYS A 96 -8.863 -23.827 9.236 1.00 0.00 S ATOM 0 H CYS A 96 -6.420 -25.282 7.861 1.00 0.00 H new ATOM 0 HA CYS A 96 -8.314 -27.461 8.601 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -9.623 -26.015 9.779 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -7.994 -25.734 10.361 1.00 0.00 H new ATOM 0 HG CYS A 96 -7.920 -23.392 8.454 1.00 0.00 H new ATOM 1485 N HIS A 97 -9.217 -27.419 6.372 1.00 0.00 N ATOM 1486 CA HIS A 97 -9.587 -27.524 4.951 1.00 0.00 C ATOM 1487 C HIS A 97 -10.929 -26.846 4.579 1.00 0.00 C ATOM 1488 O HIS A 97 -11.913 -27.500 4.219 1.00 0.00 O ATOM 1489 CB HIS A 97 -9.544 -28.994 4.508 1.00 0.00 C ATOM 1490 CG HIS A 97 -8.257 -29.711 4.840 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -8.143 -30.859 5.595 1.00 0.00 N ATOM 1492 CD2 HIS A 97 -6.999 -29.349 4.439 1.00 0.00 C ATOM 1493 CE1 HIS A 97 -6.841 -31.188 5.649 1.00 0.00 C ATOM 1494 NE2 HIS A 97 -6.107 -30.300 4.955 1.00 0.00 N ATOM 0 H HIS A 97 -9.315 -28.299 6.879 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.841 -26.955 4.396 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -10.372 -29.526 4.976 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -9.703 -29.040 3.431 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.741 -28.490 3.837 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.441 -32.043 6.174 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.095 -30.315 4.828 1.00 0.00 H new ATOM 1502 N SER A 98 -10.945 -25.515 4.627 1.00 0.00 N ATOM 1503 CA SER A 98 -12.048 -24.608 4.293 1.00 0.00 C ATOM 1504 C SER A 98 -11.501 -23.341 3.619 1.00 0.00 C ATOM 1505 O SER A 98 -10.367 -22.927 3.862 1.00 0.00 O ATOM 1506 CB SER A 98 -12.818 -24.225 5.567 1.00 0.00 C ATOM 1507 OG SER A 98 -13.501 -25.341 6.127 1.00 0.00 O ATOM 0 H SER A 98 -10.118 -24.997 4.925 1.00 0.00 H new ATOM 0 HA SER A 98 -12.724 -25.115 3.605 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.124 -23.817 6.302 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.536 -23.438 5.335 1.00 0.00 H new ATOM 0 HG SER A 98 -13.978 -25.060 6.936 1.00 0.00 H new ATOM 1513 N LYS A 99 -12.313 -22.715 2.758 1.00 0.00 N ATOM 1514 CA LYS A 99 -11.963 -21.552 1.908 1.00 0.00 C ATOM 1515 C LYS A 99 -12.145 -20.192 2.611 1.00 0.00 C ATOM 1516 O LYS A 99 -12.211 -19.150 1.960 1.00 0.00 O ATOM 1517 CB LYS A 99 -12.764 -21.660 0.594 1.00 0.00 C ATOM 1518 CG LYS A 99 -12.237 -22.812 -0.281 1.00 0.00 C ATOM 1519 CD LYS A 99 -13.195 -23.150 -1.431 1.00 0.00 C ATOM 1520 CE LYS A 99 -12.567 -24.182 -2.378 1.00 0.00 C ATOM 1521 NZ LYS A 99 -11.751 -23.524 -3.431 1.00 0.00 N ATOM 0 H LYS A 99 -13.279 -23.014 2.623 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.895 -21.586 1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.818 -21.822 0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -12.696 -20.721 0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.263 -22.540 -0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.088 -23.697 0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.130 -23.540 -1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.440 -22.244 -1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.942 -24.869 -1.807 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.353 -24.777 -2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.340 -24.248 -4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.354 -22.887 -3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.987 -22.976 -2.986 1.00 0.00 H new ATOM 1535 N ASN A 100 -12.242 -20.192 3.943 1.00 0.00 N ATOM 1536 CA ASN A 100 -12.526 -19.028 4.795 1.00 0.00 C ATOM 1537 C ASN A 100 -11.399 -17.971 4.884 1.00 0.00 C ATOM 1538 O ASN A 100 -11.579 -16.959 5.563 1.00 0.00 O ATOM 1539 CB ASN A 100 -12.904 -19.546 6.197 1.00 0.00 C ATOM 1540 CG ASN A 100 -11.736 -20.192 6.928 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -11.607 -21.403 6.970 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -10.851 -19.404 7.494 1.00 0.00 N ATOM 0 H ASN A 100 -12.119 -21.046 4.487 1.00 0.00 H new ATOM 0 HA ASN A 100 -13.347 -18.488 4.324 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -13.285 -18.717 6.794 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -13.713 -20.271 6.104 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -10.045 -19.804 7.975 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -10.969 -18.392 7.453 1.00 0.00 H new ATOM 1549 N VAL A 101 -10.228 -18.213 4.286 1.00 0.00 N ATOM 1550 CA VAL A 101 -9.054 -17.320 4.307 1.00 0.00 C ATOM 1551 C VAL A 101 -9.371 -15.875 3.878 1.00 0.00 C ATOM 1552 O VAL A 101 -10.212 -15.639 3.006 1.00 0.00 O ATOM 1553 CB VAL A 101 -7.893 -17.891 3.462 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -7.305 -19.150 4.112 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -8.287 -18.240 2.019 1.00 0.00 C ATOM 0 H VAL A 101 -10.061 -19.066 3.753 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.743 -17.274 5.351 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.155 -17.090 3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.490 -19.531 3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.926 -18.904 5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.081 -19.911 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.419 -18.634 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.078 -18.990 2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.644 -17.343 1.512 1.00 0.00 H new ATOM 1565 N ILE A 102 -8.670 -14.907 4.477 1.00 0.00 N ATOM 1566 CA ILE A 102 -8.815 -13.460 4.253 1.00 0.00 C ATOM 1567 C ILE A 102 -7.475 -12.789 3.923 1.00 0.00 C ATOM 1568 O ILE A 102 -6.406 -13.236 4.340 1.00 0.00 O ATOM 1569 CB ILE A 102 -9.502 -12.747 5.444 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -8.694 -12.742 6.767 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -10.944 -13.245 5.638 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -8.756 -14.005 7.637 1.00 0.00 C ATOM 0 H ILE A 102 -7.949 -15.119 5.167 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.465 -13.354 3.384 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.539 -11.695 5.160 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -7.649 -12.552 6.523 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.038 -11.901 7.369 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -11.398 -12.725 6.482 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -11.522 -13.046 4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -10.935 -14.317 5.835 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -8.146 -13.863 8.529 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -9.789 -14.195 7.930 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -8.377 -14.856 7.071 1.00 0.00 H new ATOM 1584 N ILE A 103 -7.535 -11.687 3.171 1.00 0.00 N ATOM 1585 CA ILE A 103 -6.370 -10.951 2.685 1.00 0.00 C ATOM 1586 C ILE A 103 -5.854 -10.064 3.824 1.00 0.00 C ATOM 1587 O ILE A 103 -6.467 -9.046 4.153 1.00 0.00 O ATOM 1588 CB ILE A 103 -6.683 -10.129 1.409 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -7.278 -10.924 0.219 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -5.367 -9.514 0.907 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -8.750 -11.339 0.347 1.00 0.00 C ATOM 0 H ILE A 103 -8.420 -11.273 2.877 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.595 -11.659 2.390 1.00 0.00 H new ATOM 0 HB ILE A 103 -7.440 -9.407 1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -7.169 -10.322 -0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -6.680 -11.824 0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.559 -8.929 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.950 -8.867 1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.658 -10.309 0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -9.052 -11.888 -0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.874 -11.975 1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -9.371 -10.449 0.453 1.00 0.00 H new ATOM 1603 N THR A 104 -4.740 -10.456 4.445 1.00 0.00 N ATOM 1604 CA THR A 104 -4.097 -9.700 5.541 1.00 0.00 C ATOM 1605 C THR A 104 -3.081 -8.661 5.028 1.00 0.00 C ATOM 1606 O THR A 104 -2.630 -7.781 5.763 1.00 0.00 O ATOM 1607 CB THR A 104 -3.464 -10.678 6.549 1.00 0.00 C ATOM 1608 OG1 THR A 104 -3.078 -10.015 7.733 1.00 0.00 O ATOM 1609 CG2 THR A 104 -2.249 -11.437 6.009 1.00 0.00 C ATOM 0 H THR A 104 -4.247 -11.316 4.204 1.00 0.00 H new ATOM 0 HA THR A 104 -4.870 -9.126 6.052 1.00 0.00 H new ATOM 0 HB THR A 104 -4.249 -11.407 6.750 1.00 0.00 H new ATOM 0 HG1 THR A 104 -2.681 -10.660 8.355 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.864 -12.104 6.781 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.543 -12.022 5.138 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.473 -10.726 5.723 1.00 0.00 H new ATOM 1617 N GLN A 105 -2.728 -8.747 3.742 1.00 0.00 N ATOM 1618 CA GLN A 105 -1.638 -8.028 3.083 1.00 0.00 C ATOM 1619 C GLN A 105 -1.972 -7.947 1.591 1.00 0.00 C ATOM 1620 O GLN A 105 -2.269 -8.966 0.970 1.00 0.00 O ATOM 1621 CB GLN A 105 -0.330 -8.795 3.366 1.00 0.00 C ATOM 1622 CG GLN A 105 0.838 -8.542 2.403 1.00 0.00 C ATOM 1623 CD GLN A 105 1.285 -7.081 2.293 1.00 0.00 C ATOM 1624 OE1 GLN A 105 1.227 -6.300 3.233 1.00 0.00 O ATOM 1625 NE2 GLN A 105 1.740 -6.665 1.131 1.00 0.00 N ATOM 0 H GLN A 105 -3.227 -9.358 3.096 1.00 0.00 H new ATOM 0 HA GLN A 105 -1.513 -7.010 3.453 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -0.000 -8.545 4.374 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -0.552 -9.862 3.359 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.689 -9.143 2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.554 -8.894 1.411 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.791 -7.310 0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.042 -5.697 1.018 1.00 0.00 H new ATOM 1634 N GLY A 106 -1.979 -6.739 1.028 1.00 0.00 N ATOM 1635 CA GLY A 106 -2.434 -6.477 -0.343 1.00 0.00 C ATOM 1636 C GLY A 106 -3.948 -6.244 -0.489 1.00 0.00 C ATOM 1637 O GLY A 106 -4.449 -6.153 -1.609 1.00 0.00 O ATOM 0 H GLY A 106 -1.665 -5.900 1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.908 -5.602 -0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.148 -7.320 -0.973 1.00 0.00 H new ATOM 1641 N ASN A 107 -4.679 -6.156 0.630 1.00 0.00 N ATOM 1642 CA ASN A 107 -6.127 -5.907 0.692 1.00 0.00 C ATOM 1643 C ASN A 107 -6.482 -4.502 0.159 1.00 0.00 C ATOM 1644 O ASN A 107 -7.342 -4.346 -0.709 1.00 0.00 O ATOM 1645 CB ASN A 107 -6.563 -6.105 2.160 1.00 0.00 C ATOM 1646 CG ASN A 107 -8.066 -6.262 2.349 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -8.884 -5.569 1.763 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -8.482 -7.187 3.186 1.00 0.00 N ATOM 0 H ASN A 107 -4.262 -6.260 1.555 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.665 -6.605 0.050 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.064 -6.988 2.560 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.221 -5.252 2.747 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.481 -7.322 3.342 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.806 -7.770 3.679 1.00 0.00 H new ATOM 1655 N GLU A 108 -5.767 -3.484 0.648 1.00 0.00 N ATOM 1656 CA GLU A 108 -5.869 -2.071 0.259 1.00 0.00 C ATOM 1657 C GLU A 108 -4.474 -1.477 -0.019 1.00 0.00 C ATOM 1658 O GLU A 108 -3.450 -2.047 0.372 1.00 0.00 O ATOM 1659 CB GLU A 108 -6.578 -1.266 1.365 1.00 0.00 C ATOM 1660 CG GLU A 108 -8.031 -1.698 1.605 1.00 0.00 C ATOM 1661 CD GLU A 108 -8.693 -0.821 2.684 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -8.588 -1.150 3.892 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -9.331 0.203 2.336 1.00 0.00 O ATOM 0 H GLU A 108 -5.060 -3.631 1.368 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.456 -2.009 -0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.018 -1.371 2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -6.561 -0.209 1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -8.595 -1.625 0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.058 -2.743 1.913 1.00 0.00 H new ATOM 1670 N MET A 109 -4.424 -0.318 -0.682 1.00 0.00 N ATOM 1671 CA MET A 109 -3.185 0.428 -0.946 1.00 0.00 C ATOM 1672 C MET A 109 -2.813 1.393 0.193 1.00 0.00 C ATOM 1673 O MET A 109 -3.694 1.870 0.915 1.00 0.00 O ATOM 1674 CB MET A 109 -3.327 1.194 -2.268 1.00 0.00 C ATOM 1675 CG MET A 109 -4.388 2.303 -2.248 1.00 0.00 C ATOM 1676 SD MET A 109 -4.564 3.182 -3.820 1.00 0.00 S ATOM 1677 CE MET A 109 -2.982 4.055 -3.876 1.00 0.00 C ATOM 0 H MET A 109 -5.256 0.138 -1.058 1.00 0.00 H new ATOM 0 HA MET A 109 -2.373 -0.296 -1.014 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.363 1.635 -2.524 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.574 0.486 -3.059 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.350 1.867 -1.978 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.133 3.021 -1.468 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.134 5.101 -3.610 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.289 3.598 -3.170 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.568 3.993 -4.882 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.521 1.736 0.316 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.993 2.766 1.238 1.00 0.00 C ATOM 1689 C ARG A 110 0.245 3.465 0.663 1.00 0.00 C ATOM 1690 O ARG A 110 1.038 2.849 -0.049 1.00 0.00 O ATOM 1691 CB ARG A 110 -0.611 2.142 2.599 1.00 0.00 C ATOM 1692 CG ARG A 110 -1.796 1.538 3.375 1.00 0.00 C ATOM 1693 CD ARG A 110 -1.407 1.068 4.783 1.00 0.00 C ATOM 1694 NE ARG A 110 -1.132 2.197 5.695 1.00 0.00 N ATOM 1695 CZ ARG A 110 -0.840 2.126 6.982 1.00 0.00 C ATOM 1696 NH1 ARG A 110 -0.744 0.986 7.608 1.00 0.00 N ATOM 1697 NH2 ARG A 110 -0.639 3.209 7.675 1.00 0.00 N ATOM 0 H ARG A 110 -0.789 1.293 -0.239 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.788 3.500 1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.133 1.363 2.432 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.140 2.907 3.216 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.591 2.280 3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -2.200 0.695 2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.211 0.458 5.195 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.525 0.431 4.720 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.172 3.131 5.288 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.896 0.113 7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.517 0.968 8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.706 4.122 7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.414 3.145 8.668 1.00 0.00 H new ATOM 1711 N LEU A 111 0.452 4.735 1.020 1.00 0.00 N ATOM 1712 CA LEU A 111 1.734 5.427 0.817 1.00 0.00 C ATOM 1713 C LEU A 111 2.862 4.823 1.679 1.00 0.00 C ATOM 1714 O LEU A 111 2.617 4.303 2.770 1.00 0.00 O ATOM 1715 CB LEU A 111 1.574 6.949 1.011 1.00 0.00 C ATOM 1716 CG LEU A 111 1.573 7.498 2.454 1.00 0.00 C ATOM 1717 CD1 LEU A 111 1.502 9.025 2.409 1.00 0.00 C ATOM 1718 CD2 LEU A 111 0.392 7.000 3.293 1.00 0.00 C ATOM 0 H LEU A 111 -0.263 5.316 1.458 1.00 0.00 H new ATOM 0 HA LEU A 111 2.041 5.270 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.379 7.442 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.639 7.250 0.538 1.00 0.00 H new ATOM 0 HG LEU A 111 2.491 7.141 2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.501 9.419 3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.366 9.414 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.588 9.332 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.453 7.424 4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.543 7.309 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.424 5.912 3.357 1.00 0.00 H new ATOM 1730 N LEU A 112 4.102 4.923 1.193 1.00 0.00 N ATOM 1731 CA LEU A 112 5.321 4.376 1.808 1.00 0.00 C ATOM 1732 C LEU A 112 6.266 5.504 2.260 1.00 0.00 C ATOM 1733 O LEU A 112 6.565 5.624 3.451 1.00 0.00 O ATOM 1734 CB LEU A 112 6.025 3.416 0.821 1.00 0.00 C ATOM 1735 CG LEU A 112 5.651 1.928 0.955 1.00 0.00 C ATOM 1736 CD1 LEU A 112 4.152 1.660 0.839 1.00 0.00 C ATOM 1737 CD2 LEU A 112 6.354 1.127 -0.143 1.00 0.00 C ATOM 0 H LEU A 112 4.296 5.410 0.318 1.00 0.00 H new ATOM 0 HA LEU A 112 5.041 3.812 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.798 3.739 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.102 3.514 0.953 1.00 0.00 H new ATOM 0 HG LEU A 112 5.968 1.625 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.964 0.591 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.624 2.199 1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.796 1.998 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.091 0.073 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.040 1.495 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 112 7.433 1.241 -0.043 1.00 0.00 H new ATOM 1749 N SER A 113 6.736 6.322 1.310 1.00 0.00 N ATOM 1750 CA SER A 113 7.774 7.354 1.492 1.00 0.00 C ATOM 1751 C SER A 113 7.575 8.531 0.526 1.00 0.00 C ATOM 1752 O SER A 113 6.847 8.407 -0.459 1.00 0.00 O ATOM 1753 CB SER A 113 9.164 6.748 1.221 1.00 0.00 C ATOM 1754 OG SER A 113 9.447 5.640 2.064 1.00 0.00 O ATOM 0 H SER A 113 6.391 6.284 0.351 1.00 0.00 H new ATOM 0 HA SER A 113 7.698 7.715 2.518 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.223 6.432 0.179 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.926 7.514 1.365 1.00 0.00 H new ATOM 0 HG SER A 113 10.337 5.289 1.854 1.00 0.00 H new ATOM 1760 N LEU A 114 8.271 9.652 0.745 1.00 0.00 N ATOM 1761 CA LEU A 114 8.381 10.763 -0.213 1.00 0.00 C ATOM 1762 C LEU A 114 9.851 11.152 -0.446 1.00 0.00 C ATOM 1763 O LEU A 114 10.733 10.822 0.349 1.00 0.00 O ATOM 1764 CB LEU A 114 7.577 12.007 0.227 1.00 0.00 C ATOM 1765 CG LEU A 114 6.077 11.836 0.538 1.00 0.00 C ATOM 1766 CD1 LEU A 114 5.786 11.347 1.962 1.00 0.00 C ATOM 1767 CD2 LEU A 114 5.375 13.189 0.397 1.00 0.00 C ATOM 0 H LEU A 114 8.785 9.818 1.610 1.00 0.00 H new ATOM 0 HA LEU A 114 7.952 10.402 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 114 8.056 12.415 1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 114 7.670 12.758 -0.558 1.00 0.00 H new ATOM 0 HG LEU A 114 5.717 11.086 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.709 11.252 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 114 6.259 10.377 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 114 6.183 12.063 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.314 13.073 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.814 13.901 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.497 13.558 -0.621 1.00 0.00 H new ATOM 1779 N GLU A 115 10.101 11.916 -1.508 1.00 0.00 N ATOM 1780 CA GLU A 115 11.388 12.536 -1.838 1.00 0.00 C ATOM 1781 C GLU A 115 11.199 14.021 -2.176 1.00 0.00 C ATOM 1782 O GLU A 115 10.241 14.400 -2.855 1.00 0.00 O ATOM 1783 CB GLU A 115 12.045 11.809 -3.023 1.00 0.00 C ATOM 1784 CG GLU A 115 12.407 10.336 -2.767 1.00 0.00 C ATOM 1785 CD GLU A 115 13.457 10.121 -1.653 1.00 0.00 C ATOM 1786 OE1 GLU A 115 14.252 11.045 -1.350 1.00 0.00 O ATOM 1787 OE2 GLU A 115 13.529 8.994 -1.105 1.00 0.00 O ATOM 0 H GLU A 115 9.379 12.131 -2.196 1.00 0.00 H new ATOM 0 HA GLU A 115 12.040 12.454 -0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.371 11.858 -3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.952 12.346 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.500 9.792 -2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 115 12.783 9.901 -3.693 1.00 0.00 H new ATOM 1794 N MET A 116 12.127 14.865 -1.722 1.00 0.00 N ATOM 1795 CA MET A 116 12.114 16.326 -1.868 1.00 0.00 C ATOM 1796 C MET A 116 13.479 16.823 -2.365 1.00 0.00 C ATOM 1797 O MET A 116 14.504 16.601 -1.716 1.00 0.00 O ATOM 1798 CB MET A 116 11.754 16.983 -0.525 1.00 0.00 C ATOM 1799 CG MET A 116 10.334 16.641 -0.065 1.00 0.00 C ATOM 1800 SD MET A 116 9.931 17.261 1.588 1.00 0.00 S ATOM 1801 CE MET A 116 8.211 16.713 1.665 1.00 0.00 C ATOM 0 H MET A 116 12.949 14.534 -1.217 1.00 0.00 H new ATOM 0 HA MET A 116 11.360 16.603 -2.605 1.00 0.00 H new ATOM 0 HB2 MET A 116 12.466 16.661 0.235 1.00 0.00 H new ATOM 0 HB3 MET A 116 11.852 18.065 -0.616 1.00 0.00 H new ATOM 0 HG2 MET A 116 9.622 17.052 -0.780 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.209 15.558 -0.077 1.00 0.00 H new ATOM 0 HE1 MET A 116 7.816 16.893 2.665 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.620 17.267 0.936 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.158 15.648 1.440 1.00 0.00 H new ATOM 1811 N LEU A 117 13.505 17.483 -3.527 1.00 0.00 N ATOM 1812 CA LEU A 117 14.676 18.117 -4.111 1.00 0.00 C ATOM 1813 C LEU A 117 15.084 19.337 -3.258 1.00 0.00 C ATOM 1814 O LEU A 117 14.289 20.258 -3.060 1.00 0.00 O ATOM 1815 CB LEU A 117 14.283 18.452 -5.565 1.00 0.00 C ATOM 1816 CG LEU A 117 15.193 19.467 -6.256 1.00 0.00 C ATOM 1817 CD1 LEU A 117 16.647 18.999 -6.371 1.00 0.00 C ATOM 1818 CD2 LEU A 117 14.676 19.783 -7.659 1.00 0.00 C ATOM 0 H LEU A 117 12.672 17.591 -4.106 1.00 0.00 H new ATOM 0 HA LEU A 117 15.561 17.481 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 117 14.281 17.531 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 117 13.263 18.836 -5.572 1.00 0.00 H new ATOM 0 HG LEU A 117 15.175 20.356 -5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 117 17.238 19.766 -6.871 1.00 0.00 H new ATOM 0 HD12 LEU A 117 17.052 18.821 -5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 117 16.687 18.076 -6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 117 15.337 20.507 -8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 117 14.652 18.869 -8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.671 20.198 -7.591 1.00 0.00 H new