USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 630 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 49 GLN : amide:sc= 1.75 K(o=2.8,f=-3.5) USER MOD Set 1.2: A 52 LYS NZ :NH3+ 150:sc= 1.05 (180deg=0) USER MOD Set 2.1: A 34 MET CE :methyl 142:sc= -1.15 (180deg=-3.1!) USER MOD Set 2.2: A 43 MET CE :methyl -153:sc= 0 (180deg=0) USER MOD Single : A -1 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A -2 GLY N :NH3+ -109:sc= 0.0328 (180deg=0) USER MOD Single : A 41 SER OG : rot 80:sc= 1.28 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 75:sc= 0.00688 USER MOD Single : A 51 HIS : no HD1:sc= 0.87 K(o=0.87,f=-4!) USER MOD Single : A 53 ASN : amide:sc= 0.325 X(o=0.32,f=-0.032) USER MOD Single : A 61 GLN : amide:sc= 0.871 K(o=0.87,f=-5.6!) USER MOD Single : A 64 TYR OH : rot 60:sc= -0.144 USER MOD Single : A 66 SER OG : rot 66:sc= 0.175 USER MOD Single : A 68 THR OG1 : rot -164:sc= 0.521 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.999 X(o=-1,f=-1.1) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.23 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 83:sc= 1.3 USER MOD Single : A 98 SER OG : rot 138:sc= 0.617 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 76:sc= -1.31! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 3.027 -1.086 -6.475 1.00 0.00 N ATOM 2 CA GLY A -2 2.450 -1.728 -5.271 1.00 0.00 C ATOM 3 C GLY A -2 3.528 -2.245 -4.311 1.00 0.00 C ATOM 4 O GLY A -2 4.671 -2.479 -4.712 1.00 0.00 O ATOM 0 H1 GLY A -2 2.871 -0.059 -6.429 1.00 0.00 H new ATOM 0 H2 GLY A -2 4.048 -1.280 -6.516 1.00 0.00 H new ATOM 0 H3 GLY A -2 2.568 -1.468 -7.326 1.00 0.00 H new ATOM 0 HA2 GLY A -2 1.816 -1.011 -4.749 1.00 0.00 H new ATOM 0 HA3 GLY A -2 1.811 -2.557 -5.575 1.00 0.00 H new ATOM 10 N HIS A -1 3.165 -2.439 -3.032 1.00 0.00 N ATOM 11 CA HIS A -1 4.107 -2.812 -1.960 1.00 0.00 C ATOM 12 C HIS A -1 3.603 -3.954 -1.065 1.00 0.00 C ATOM 13 O HIS A -1 4.348 -4.402 -0.188 1.00 0.00 O ATOM 14 CB HIS A -1 4.446 -1.567 -1.125 1.00 0.00 C ATOM 15 CG HIS A -1 3.254 -0.976 -0.402 1.00 0.00 C ATOM 16 ND1 HIS A -1 2.704 -1.434 0.800 1.00 0.00 N ATOM 17 CD2 HIS A -1 2.537 0.102 -0.835 1.00 0.00 C ATOM 18 CE1 HIS A -1 1.667 -0.617 1.060 1.00 0.00 C ATOM 19 NE2 HIS A -1 1.545 0.312 0.097 1.00 0.00 N ATOM 0 H HIS A -1 2.202 -2.341 -2.709 1.00 0.00 H new ATOM 0 HA HIS A -1 5.006 -3.197 -2.441 1.00 0.00 H new ATOM 0 HB2 HIS A -1 5.211 -1.828 -0.393 1.00 0.00 H new ATOM 0 HB3 HIS A -1 4.876 -0.808 -1.779 1.00 0.00 H new ATOM 0 HD2 HIS A -1 2.713 0.677 -1.732 1.00 0.00 H new ATOM 0 HE1 HIS A -1 1.022 -0.697 1.923 1.00 0.00 H new ATOM 0 HE2 HIS A -1 0.839 1.047 0.062 1.00 0.00 H new ATOM 27 N MET A 34 2.373 -4.449 -1.270 1.00 0.00 N ATOM 28 CA MET A 34 1.844 -5.575 -0.493 1.00 0.00 C ATOM 29 C MET A 34 2.626 -6.855 -0.835 1.00 0.00 C ATOM 30 O MET A 34 3.031 -7.055 -1.987 1.00 0.00 O ATOM 31 CB MET A 34 0.342 -5.777 -0.772 1.00 0.00 C ATOM 32 CG MET A 34 -0.518 -4.638 -0.211 1.00 0.00 C ATOM 33 SD MET A 34 -2.314 -4.951 -0.143 1.00 0.00 S ATOM 34 CE MET A 34 -2.847 -4.941 -1.880 1.00 0.00 C ATOM 0 H MET A 34 1.726 -4.085 -1.970 1.00 0.00 H new ATOM 0 HA MET A 34 1.964 -5.353 0.567 1.00 0.00 H new ATOM 0 HB2 MET A 34 0.183 -5.852 -1.848 1.00 0.00 H new ATOM 0 HB3 MET A 34 0.018 -6.722 -0.335 1.00 0.00 H new ATOM 0 HG2 MET A 34 -0.171 -4.409 0.797 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.347 -3.748 -0.817 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.608 -5.706 -2.031 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.260 -3.963 -2.128 1.00 0.00 H new ATOM 0 HE3 MET A 34 -1.992 -5.147 -2.524 1.00 0.00 H new ATOM 44 N LEU A 35 2.814 -7.725 0.165 1.00 0.00 N ATOM 45 CA LEU A 35 3.336 -9.082 -0.058 1.00 0.00 C ATOM 46 C LEU A 35 2.229 -9.892 -0.735 1.00 0.00 C ATOM 47 O LEU A 35 1.067 -9.504 -0.628 1.00 0.00 O ATOM 48 CB LEU A 35 3.747 -9.735 1.276 1.00 0.00 C ATOM 49 CG LEU A 35 4.849 -8.992 2.060 1.00 0.00 C ATOM 50 CD1 LEU A 35 5.161 -9.757 3.352 1.00 0.00 C ATOM 51 CD2 LEU A 35 6.135 -8.814 1.245 1.00 0.00 C ATOM 0 H LEU A 35 2.612 -7.513 1.142 1.00 0.00 H new ATOM 0 HA LEU A 35 4.225 -9.048 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.864 -9.815 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.088 -10.750 1.075 1.00 0.00 H new ATOM 0 HG LEU A 35 4.471 -7.995 2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.939 -9.233 3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.261 -9.821 3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.505 -10.762 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.876 -8.285 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.526 -9.792 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.919 -8.238 0.345 1.00 0.00 H new ATOM 63 N GLU A 36 2.536 -11.017 -1.393 1.00 0.00 N ATOM 64 CA GLU A 36 1.544 -11.701 -2.231 1.00 0.00 C ATOM 65 C GLU A 36 0.312 -12.103 -1.424 1.00 0.00 C ATOM 66 O GLU A 36 -0.811 -11.804 -1.819 1.00 0.00 O ATOM 67 CB GLU A 36 2.173 -12.908 -2.951 1.00 0.00 C ATOM 68 CG GLU A 36 1.180 -13.628 -3.873 1.00 0.00 C ATOM 69 CD GLU A 36 1.885 -14.715 -4.704 1.00 0.00 C ATOM 70 OE1 GLU A 36 2.387 -14.404 -5.811 1.00 0.00 O ATOM 71 OE2 GLU A 36 1.939 -15.889 -4.260 1.00 0.00 O ATOM 0 H GLU A 36 3.450 -11.468 -1.363 1.00 0.00 H new ATOM 0 HA GLU A 36 1.209 -10.999 -2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.029 -12.572 -3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.551 -13.612 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.386 -14.079 -3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.708 -12.906 -4.539 1.00 0.00 H new ATOM 78 N ALA A 37 0.519 -12.726 -0.266 1.00 0.00 N ATOM 79 CA ALA A 37 -0.596 -13.238 0.522 1.00 0.00 C ATOM 80 C ALA A 37 -1.407 -12.085 1.131 1.00 0.00 C ATOM 81 O ALA A 37 -2.629 -12.175 1.248 1.00 0.00 O ATOM 82 CB ALA A 37 -0.119 -14.211 1.601 1.00 0.00 C ATOM 0 H ALA A 37 1.439 -12.887 0.143 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.251 -13.794 -0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.976 -14.573 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.388 -15.054 1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.572 -13.700 2.272 1.00 0.00 H new ATOM 88 N ASP A 38 -0.741 -10.986 1.495 1.00 0.00 N ATOM 89 CA ASP A 38 -1.403 -9.797 2.025 1.00 0.00 C ATOM 90 C ASP A 38 -2.202 -9.082 0.930 1.00 0.00 C ATOM 91 O ASP A 38 -3.335 -8.659 1.171 1.00 0.00 O ATOM 92 CB ASP A 38 -0.366 -8.850 2.632 1.00 0.00 C ATOM 93 CG ASP A 38 -1.036 -7.672 3.352 1.00 0.00 C ATOM 94 OD1 ASP A 38 -1.834 -7.917 4.290 1.00 0.00 O ATOM 95 OD2 ASP A 38 -0.765 -6.507 2.986 1.00 0.00 O ATOM 0 H ASP A 38 0.273 -10.898 1.429 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.100 -10.107 2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.262 -9.398 3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.289 -8.473 1.846 1.00 0.00 H new ATOM 100 N LEU A 39 -1.650 -9.015 -0.288 1.00 0.00 N ATOM 101 CA LEU A 39 -2.276 -8.425 -1.462 1.00 0.00 C ATOM 102 C LEU A 39 -3.595 -9.108 -1.741 1.00 0.00 C ATOM 103 O LEU A 39 -4.629 -8.441 -1.817 1.00 0.00 O ATOM 104 CB LEU A 39 -1.335 -8.510 -2.684 1.00 0.00 C ATOM 105 CG LEU A 39 -1.908 -7.905 -3.989 1.00 0.00 C ATOM 106 CD1 LEU A 39 -0.758 -7.377 -4.857 1.00 0.00 C ATOM 107 CD2 LEU A 39 -2.715 -8.900 -4.842 1.00 0.00 C ATOM 0 H LEU A 39 -0.720 -9.386 -0.483 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.469 -7.370 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.402 -8.000 -2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.089 -9.557 -2.863 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.588 -7.114 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.161 -6.951 -5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.212 -6.608 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.082 -8.196 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.081 -8.398 -5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.076 -9.735 -5.130 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.560 -9.273 -4.264 1.00 0.00 H new ATOM 119 N VAL A 40 -3.554 -10.432 -1.890 1.00 0.00 N ATOM 120 CA VAL A 40 -4.735 -11.173 -2.276 1.00 0.00 C ATOM 121 C VAL A 40 -5.769 -11.090 -1.151 1.00 0.00 C ATOM 122 O VAL A 40 -6.940 -10.885 -1.449 1.00 0.00 O ATOM 123 CB VAL A 40 -4.366 -12.609 -2.714 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.385 -12.559 -3.899 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.779 -13.461 -1.584 1.00 0.00 C ATOM 0 H VAL A 40 -2.720 -11.001 -1.749 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.200 -10.729 -3.156 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.297 -13.091 -3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.129 -13.574 -4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.850 -12.037 -4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.480 -12.031 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.543 -14.456 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.870 -12.991 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.505 -13.543 -0.775 1.00 0.00 H new ATOM 135 N SER A 41 -5.353 -11.128 0.122 1.00 0.00 N ATOM 136 CA SER A 41 -6.259 -11.006 1.263 1.00 0.00 C ATOM 137 C SER A 41 -6.947 -9.634 1.307 1.00 0.00 C ATOM 138 O SER A 41 -8.172 -9.587 1.394 1.00 0.00 O ATOM 139 CB SER A 41 -5.513 -11.293 2.572 1.00 0.00 C ATOM 140 OG SER A 41 -4.962 -12.598 2.560 1.00 0.00 O ATOM 0 H SER A 41 -4.375 -11.245 0.386 1.00 0.00 H new ATOM 0 HA SER A 41 -7.046 -11.751 1.141 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.719 -10.559 2.712 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.196 -11.189 3.415 1.00 0.00 H new ATOM 0 HG SER A 41 -4.127 -12.596 2.046 1.00 0.00 H new ATOM 146 N LYS A 42 -6.218 -8.515 1.219 1.00 0.00 N ATOM 147 CA LYS A 42 -6.842 -7.186 1.295 1.00 0.00 C ATOM 148 C LYS A 42 -7.707 -6.933 0.070 1.00 0.00 C ATOM 149 O LYS A 42 -8.797 -6.387 0.231 1.00 0.00 O ATOM 150 CB LYS A 42 -5.788 -6.075 1.472 1.00 0.00 C ATOM 151 CG LYS A 42 -5.241 -6.052 2.911 1.00 0.00 C ATOM 152 CD LYS A 42 -4.335 -4.827 3.120 1.00 0.00 C ATOM 153 CE LYS A 42 -3.594 -4.842 4.465 1.00 0.00 C ATOM 154 NZ LYS A 42 -4.480 -4.630 5.643 1.00 0.00 N ATOM 0 H LYS A 42 -5.206 -8.501 1.096 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.483 -7.166 2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.968 -6.232 0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.231 -5.108 1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.068 -6.026 3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.680 -6.965 3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.605 -4.781 2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.939 -3.922 3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.081 -5.797 4.576 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.827 -4.067 4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.911 -4.653 6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.951 -3.706 5.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.197 -5.383 5.678 1.00 0.00 H new ATOM 168 N MET A 43 -7.297 -7.344 -1.131 1.00 0.00 N ATOM 169 CA MET A 43 -8.122 -7.118 -2.316 1.00 0.00 C ATOM 170 C MET A 43 -9.371 -8.006 -2.284 1.00 0.00 C ATOM 171 O MET A 43 -10.464 -7.496 -2.520 1.00 0.00 O ATOM 172 CB MET A 43 -7.292 -7.301 -3.595 1.00 0.00 C ATOM 173 CG MET A 43 -6.282 -6.150 -3.748 1.00 0.00 C ATOM 174 SD MET A 43 -5.470 -6.059 -5.366 1.00 0.00 S ATOM 175 CE MET A 43 -4.390 -4.628 -5.130 1.00 0.00 C ATOM 0 H MET A 43 -6.415 -7.826 -1.307 1.00 0.00 H new ATOM 0 HA MET A 43 -8.473 -6.086 -2.315 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.764 -8.254 -3.561 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.951 -7.333 -4.463 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.796 -5.207 -3.562 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.517 -6.253 -2.979 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.200 -4.153 -6.092 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.872 -3.914 -4.462 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.446 -4.953 -4.693 1.00 0.00 H new ATOM 185 N LEU A 44 -9.255 -9.283 -1.894 1.00 0.00 N ATOM 186 CA LEU A 44 -10.386 -10.176 -1.614 1.00 0.00 C ATOM 187 C LEU A 44 -11.372 -9.469 -0.692 1.00 0.00 C ATOM 188 O LEU A 44 -12.534 -9.266 -1.037 1.00 0.00 O ATOM 189 CB LEU A 44 -9.839 -11.469 -0.968 1.00 0.00 C ATOM 190 CG LEU A 44 -10.878 -12.402 -0.333 1.00 0.00 C ATOM 191 CD1 LEU A 44 -11.698 -13.092 -1.416 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.192 -13.448 0.549 1.00 0.00 C ATOM 0 H LEU A 44 -8.350 -9.734 -1.762 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.913 -10.436 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.296 -12.029 -1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.116 -11.190 -0.202 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.544 -11.803 0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.432 -13.751 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.213 -12.342 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.037 -13.677 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.944 -14.101 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.507 -14.042 -0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.635 -12.947 1.341 1.00 0.00 H new ATOM 204 N ARG A 45 -10.876 -9.049 0.469 1.00 0.00 N ATOM 205 CA ARG A 45 -11.629 -8.325 1.478 1.00 0.00 C ATOM 206 C ARG A 45 -12.310 -7.105 0.882 1.00 0.00 C ATOM 207 O ARG A 45 -13.484 -6.893 1.150 1.00 0.00 O ATOM 208 CB ARG A 45 -10.645 -8.007 2.611 1.00 0.00 C ATOM 209 CG ARG A 45 -11.076 -6.916 3.592 1.00 0.00 C ATOM 210 CD ARG A 45 -10.564 -5.514 3.228 1.00 0.00 C ATOM 211 NE ARG A 45 -10.497 -4.735 4.462 1.00 0.00 N ATOM 212 CZ ARG A 45 -10.552 -3.413 4.642 1.00 0.00 C ATOM 213 NH1 ARG A 45 -10.472 -2.562 3.622 1.00 0.00 N ATOM 214 NH2 ARG A 45 -10.694 -2.978 5.886 1.00 0.00 N ATOM 0 H ARG A 45 -9.906 -9.211 0.738 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.451 -8.917 1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.464 -8.922 3.174 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.694 -7.712 2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.165 -6.893 3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.719 -7.175 4.589 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.582 -5.575 2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.231 -5.037 2.510 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.392 -5.284 5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.366 -2.915 2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.517 -1.557 3.791 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.756 -3.645 6.655 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.741 -1.977 6.074 1.00 0.00 H new ATOM 228 N ALA A 46 -11.612 -6.309 0.075 1.00 0.00 N ATOM 229 CA ALA A 46 -12.182 -5.077 -0.435 1.00 0.00 C ATOM 230 C ALA A 46 -13.339 -5.359 -1.389 1.00 0.00 C ATOM 231 O ALA A 46 -14.376 -4.709 -1.271 1.00 0.00 O ATOM 232 CB ALA A 46 -11.092 -4.238 -1.109 1.00 0.00 C ATOM 0 H ALA A 46 -10.659 -6.498 -0.235 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.588 -4.507 0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.527 -3.314 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.314 -4.001 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.657 -4.802 -1.935 1.00 0.00 H new ATOM 238 N VAL A 47 -13.212 -6.354 -2.275 1.00 0.00 N ATOM 239 CA VAL A 47 -14.311 -6.744 -3.160 1.00 0.00 C ATOM 240 C VAL A 47 -15.502 -7.159 -2.294 1.00 0.00 C ATOM 241 O VAL A 47 -16.626 -6.715 -2.523 1.00 0.00 O ATOM 242 CB VAL A 47 -13.857 -7.869 -4.115 1.00 0.00 C ATOM 243 CG1 VAL A 47 -15.002 -8.409 -4.979 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.774 -7.349 -5.069 1.00 0.00 C ATOM 0 H VAL A 47 -12.360 -6.902 -2.396 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.615 -5.908 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.481 -8.671 -3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.625 -9.197 -5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.784 -8.813 -4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.412 -7.602 -5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.462 -8.152 -5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.173 -6.522 -5.656 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.916 -7.003 -4.492 1.00 0.00 H new ATOM 254 N LEU A 48 -15.261 -7.965 -1.260 1.00 0.00 N ATOM 255 CA LEU A 48 -16.316 -8.443 -0.377 1.00 0.00 C ATOM 256 C LEU A 48 -16.973 -7.291 0.392 1.00 0.00 C ATOM 257 O LEU A 48 -18.176 -7.343 0.630 1.00 0.00 O ATOM 258 CB LEU A 48 -15.721 -9.461 0.609 1.00 0.00 C ATOM 259 CG LEU A 48 -15.218 -10.752 -0.055 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.261 -11.443 0.908 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.376 -11.693 -0.362 1.00 0.00 C ATOM 0 H LEU A 48 -14.330 -8.302 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.088 -8.915 -0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.894 -8.993 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.477 -9.717 1.352 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.720 -10.501 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.891 -12.363 0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.422 -10.782 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.784 -11.679 1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.994 -12.599 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.889 -11.953 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.075 -11.201 -1.038 1.00 0.00 H new ATOM 273 N GLN A 49 -16.214 -6.263 0.791 1.00 0.00 N ATOM 274 CA GLN A 49 -16.752 -5.111 1.501 1.00 0.00 C ATOM 275 C GLN A 49 -17.661 -4.282 0.587 1.00 0.00 C ATOM 276 O GLN A 49 -18.716 -3.835 1.051 1.00 0.00 O ATOM 277 CB GLN A 49 -15.625 -4.235 2.086 1.00 0.00 C ATOM 278 CG GLN A 49 -14.999 -4.803 3.375 1.00 0.00 C ATOM 279 CD GLN A 49 -15.953 -4.826 4.576 1.00 0.00 C ATOM 280 OE1 GLN A 49 -17.102 -4.390 4.509 1.00 0.00 O ATOM 281 NE2 GLN A 49 -15.501 -5.342 5.704 1.00 0.00 N ATOM 0 H GLN A 49 -15.208 -6.213 0.627 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.350 -5.486 2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.843 -4.117 1.336 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.021 -3.241 2.293 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.651 -5.818 3.181 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.122 -4.209 3.632 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.548 -5.702 5.754 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -16.105 -5.381 6.525 1.00 0.00 H new ATOM 290 N SER A 50 -17.302 -4.099 -0.688 1.00 0.00 N ATOM 291 CA SER A 50 -18.181 -3.469 -1.666 1.00 0.00 C ATOM 292 C SER A 50 -19.430 -4.331 -1.912 1.00 0.00 C ATOM 293 O SER A 50 -20.541 -3.804 -2.021 1.00 0.00 O ATOM 294 CB SER A 50 -17.421 -3.260 -2.985 1.00 0.00 C ATOM 295 OG SER A 50 -16.267 -2.453 -2.776 1.00 0.00 O ATOM 0 H SER A 50 -16.398 -4.383 -1.065 1.00 0.00 H new ATOM 0 HA SER A 50 -18.502 -2.504 -1.274 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.127 -4.225 -3.398 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.075 -2.786 -3.717 1.00 0.00 H new ATOM 0 HG SER A 50 -15.571 -2.985 -2.336 1.00 0.00 H new ATOM 301 N HIS A 51 -19.262 -5.653 -1.952 1.00 0.00 N ATOM 302 CA HIS A 51 -20.289 -6.594 -2.379 1.00 0.00 C ATOM 303 C HIS A 51 -20.965 -7.201 -1.150 1.00 0.00 C ATOM 304 O HIS A 51 -20.893 -8.408 -0.924 1.00 0.00 O ATOM 305 CB HIS A 51 -19.678 -7.644 -3.323 1.00 0.00 C ATOM 306 CG HIS A 51 -19.144 -7.091 -4.632 1.00 0.00 C ATOM 307 ND1 HIS A 51 -18.947 -5.745 -4.970 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.776 -7.863 -5.691 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.453 -5.755 -6.220 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.356 -7.005 -6.686 1.00 0.00 N ATOM 0 H HIS A 51 -18.389 -6.106 -1.682 1.00 0.00 H new ATOM 0 HA HIS A 51 -21.066 -6.083 -2.948 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.867 -8.152 -2.802 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.435 -8.396 -3.545 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.807 -8.941 -5.742 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.172 -4.872 -6.774 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -18.029 -7.276 -7.613 1.00 0.00 H new ATOM 318 N LYS A 52 -21.637 -6.372 -0.340 1.00 0.00 N ATOM 319 CA LYS A 52 -22.309 -6.792 0.902 1.00 0.00 C ATOM 320 C LYS A 52 -23.341 -7.905 0.704 1.00 0.00 C ATOM 321 O LYS A 52 -23.567 -8.693 1.621 1.00 0.00 O ATOM 322 CB LYS A 52 -23.023 -5.589 1.531 1.00 0.00 C ATOM 323 CG LYS A 52 -22.098 -4.606 2.268 1.00 0.00 C ATOM 324 CD LYS A 52 -21.377 -5.264 3.464 1.00 0.00 C ATOM 325 CE LYS A 52 -20.900 -4.219 4.494 1.00 0.00 C ATOM 326 NZ LYS A 52 -19.750 -3.391 4.031 1.00 0.00 N ATOM 0 H LYS A 52 -21.732 -5.374 -0.530 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.524 -7.185 1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.554 -5.049 0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.774 -5.955 2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.357 -4.215 1.570 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.682 -3.756 2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -22.050 -5.971 3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.521 -5.835 3.103 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -21.733 -3.560 4.740 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -20.618 -4.733 5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.799 -2.451 4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.858 -3.854 4.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.789 -3.290 2.997 1.00 0.00 H new ATOM 340 N ASN A 53 -23.941 -7.987 -0.484 1.00 0.00 N ATOM 341 CA ASN A 53 -24.837 -9.077 -0.876 1.00 0.00 C ATOM 342 C ASN A 53 -24.164 -10.453 -0.757 1.00 0.00 C ATOM 343 O ASN A 53 -24.849 -11.466 -0.619 1.00 0.00 O ATOM 344 CB ASN A 53 -25.294 -8.821 -2.323 1.00 0.00 C ATOM 345 CG ASN A 53 -26.079 -9.992 -2.907 1.00 0.00 C ATOM 346 OD1 ASN A 53 -27.296 -10.080 -2.756 1.00 0.00 O ATOM 347 ND2 ASN A 53 -25.402 -10.907 -3.585 1.00 0.00 N ATOM 0 H ASN A 53 -23.816 -7.286 -1.214 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.692 -9.094 -0.200 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -25.912 -7.924 -2.351 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -24.421 -8.626 -2.947 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -25.890 -11.704 -3.994 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -24.393 -10.815 -3.698 1.00 0.00 H new ATOM 354 N GLY A 54 -22.830 -10.492 -0.796 1.00 0.00 N ATOM 355 CA GLY A 54 -22.038 -11.695 -0.892 1.00 0.00 C ATOM 356 C GLY A 54 -21.873 -12.106 -2.350 1.00 0.00 C ATOM 357 O GLY A 54 -22.558 -11.601 -3.243 1.00 0.00 O ATOM 0 H GLY A 54 -22.261 -9.646 -0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.060 -11.531 -0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.516 -12.499 -0.333 1.00 0.00 H new ATOM 361 N ILE A 55 -20.935 -13.024 -2.584 1.00 0.00 N ATOM 362 CA ILE A 55 -20.562 -13.508 -3.909 1.00 0.00 C ATOM 363 C ILE A 55 -20.270 -14.995 -3.778 1.00 0.00 C ATOM 364 O ILE A 55 -19.480 -15.391 -2.930 1.00 0.00 O ATOM 365 CB ILE A 55 -19.365 -12.695 -4.490 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.341 -12.191 -3.442 1.00 0.00 C ATOM 367 CG2 ILE A 55 -19.870 -11.495 -5.297 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.222 -11.291 -4.003 1.00 0.00 C ATOM 0 H ILE A 55 -20.400 -13.462 -1.834 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.372 -13.365 -4.624 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.836 -13.407 -5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.877 -11.640 -2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.884 -13.054 -2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -19.020 -10.940 -5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.491 -11.846 -6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.459 -10.844 -4.651 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.557 -10.990 -3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.654 -11.841 -4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.662 -10.404 -4.459 1.00 0.00 H new ATOM 380 N VAL A 56 -20.956 -15.818 -4.571 1.00 0.00 N ATOM 381 CA VAL A 56 -20.785 -17.273 -4.598 1.00 0.00 C ATOM 382 C VAL A 56 -19.353 -17.621 -5.008 1.00 0.00 C ATOM 383 O VAL A 56 -18.789 -16.852 -5.774 1.00 0.00 O ATOM 384 CB VAL A 56 -21.855 -17.898 -5.520 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.246 -17.809 -4.880 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.901 -17.264 -6.925 1.00 0.00 C ATOM 0 H VAL A 56 -21.662 -15.485 -5.228 1.00 0.00 H new ATOM 0 HA VAL A 56 -20.934 -17.696 -3.605 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.564 -18.941 -5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -23.983 -18.255 -5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.245 -18.345 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.500 -16.763 -4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.674 -17.751 -7.519 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -22.126 -16.201 -6.837 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.935 -17.391 -7.413 1.00 0.00 H new ATOM 396 N LEU A 57 -18.753 -18.745 -4.587 1.00 0.00 N ATOM 397 CA LEU A 57 -17.322 -19.008 -4.878 1.00 0.00 C ATOM 398 C LEU A 57 -16.872 -18.808 -6.348 1.00 0.00 C ATOM 399 O LEU A 57 -15.761 -18.311 -6.530 1.00 0.00 O ATOM 400 CB LEU A 57 -16.746 -20.293 -4.220 1.00 0.00 C ATOM 401 CG LEU A 57 -16.858 -21.658 -4.948 1.00 0.00 C ATOM 402 CD1 LEU A 57 -15.970 -21.789 -6.199 1.00 0.00 C ATOM 403 CD2 LEU A 57 -16.417 -22.771 -3.985 1.00 0.00 C ATOM 0 H LEU A 57 -19.220 -19.478 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.840 -18.181 -4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.688 -20.113 -4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.229 -20.404 -3.249 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.898 -21.736 -5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -16.112 -22.774 -6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.245 -21.021 -6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.924 -21.665 -5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -16.491 -23.736 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.385 -22.600 -3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -17.061 -22.768 -3.106 1.00 0.00 H new ATOM 415 N PRO A 58 -17.652 -19.107 -7.411 1.00 0.00 N ATOM 416 CA PRO A 58 -17.186 -18.809 -8.770 1.00 0.00 C ATOM 417 C PRO A 58 -17.280 -17.308 -9.091 1.00 0.00 C ATOM 418 O PRO A 58 -16.385 -16.740 -9.718 1.00 0.00 O ATOM 419 CB PRO A 58 -18.056 -19.665 -9.696 1.00 0.00 C ATOM 420 CG PRO A 58 -19.352 -19.861 -8.912 1.00 0.00 C ATOM 421 CD PRO A 58 -18.886 -19.891 -7.459 1.00 0.00 C ATOM 0 HA PRO A 58 -16.130 -19.048 -8.896 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.237 -19.165 -10.648 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.579 -20.618 -9.923 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -20.057 -19.049 -9.091 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.855 -20.787 -9.192 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.643 -19.467 -6.799 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.710 -20.914 -7.127 1.00 0.00 H new ATOM 429 N ARG A 59 -18.322 -16.634 -8.590 1.00 0.00 N ATOM 430 CA ARG A 59 -18.473 -15.180 -8.707 1.00 0.00 C ATOM 431 C ARG A 59 -17.396 -14.473 -7.882 1.00 0.00 C ATOM 432 O ARG A 59 -16.928 -13.412 -8.278 1.00 0.00 O ATOM 433 CB ARG A 59 -19.904 -14.796 -8.282 1.00 0.00 C ATOM 434 CG ARG A 59 -20.278 -13.350 -8.634 1.00 0.00 C ATOM 435 CD ARG A 59 -21.749 -13.034 -8.328 1.00 0.00 C ATOM 436 NE ARG A 59 -22.077 -11.644 -8.698 1.00 0.00 N ATOM 437 CZ ARG A 59 -23.290 -11.074 -8.641 1.00 0.00 C ATOM 438 NH1 ARG A 59 -24.345 -11.761 -8.211 1.00 0.00 N ATOM 439 NH2 ARG A 59 -23.441 -9.808 -9.016 1.00 0.00 N ATOM 0 H ARG A 59 -19.088 -17.085 -8.089 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.333 -14.857 -9.739 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.611 -15.473 -8.761 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -20.006 -14.938 -7.206 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.639 -12.666 -8.076 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -20.084 -13.175 -9.692 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -22.394 -13.722 -8.875 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.945 -13.188 -7.267 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.308 -11.061 -9.029 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -24.237 -12.733 -7.920 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -25.262 -11.316 -8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.637 -9.274 -9.345 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -24.361 -9.370 -8.975 1.00 0.00 H new ATOM 453 N LEU A 60 -16.974 -15.080 -6.762 1.00 0.00 N ATOM 454 CA LEU A 60 -15.886 -14.597 -5.929 1.00 0.00 C ATOM 455 C LEU A 60 -14.657 -14.474 -6.809 1.00 0.00 C ATOM 456 O LEU A 60 -14.147 -13.369 -6.939 1.00 0.00 O ATOM 457 CB LEU A 60 -15.647 -15.532 -4.718 1.00 0.00 C ATOM 458 CG LEU A 60 -14.549 -15.128 -3.721 1.00 0.00 C ATOM 459 CD1 LEU A 60 -13.114 -15.280 -4.231 1.00 0.00 C ATOM 460 CD2 LEU A 60 -14.782 -13.709 -3.209 1.00 0.00 C ATOM 0 H LEU A 60 -17.396 -15.940 -6.411 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.132 -13.623 -5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.585 -15.620 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.407 -16.524 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.638 -15.845 -2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.417 -14.969 -3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.928 -16.322 -4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.974 -14.657 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.994 -13.442 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.770 -13.013 -4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.749 -13.657 -2.708 1.00 0.00 H new ATOM 472 N GLN A 61 -14.231 -15.575 -7.444 1.00 0.00 N ATOM 473 CA GLN A 61 -13.088 -15.596 -8.356 1.00 0.00 C ATOM 474 C GLN A 61 -13.179 -14.479 -9.395 1.00 0.00 C ATOM 475 O GLN A 61 -12.209 -13.744 -9.568 1.00 0.00 O ATOM 476 CB GLN A 61 -12.973 -16.977 -9.038 1.00 0.00 C ATOM 477 CG GLN A 61 -12.067 -17.976 -8.293 1.00 0.00 C ATOM 478 CD GLN A 61 -10.606 -17.846 -8.757 1.00 0.00 C ATOM 479 OE1 GLN A 61 -10.060 -16.751 -8.783 1.00 0.00 O ATOM 480 NE2 GLN A 61 -9.927 -18.925 -9.131 1.00 0.00 N ATOM 0 H GLN A 61 -14.679 -16.485 -7.335 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.186 -15.421 -7.770 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.970 -17.408 -9.131 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.589 -16.840 -10.049 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.129 -17.798 -7.219 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.419 -18.993 -8.468 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.375 -19.841 -9.112 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.958 -18.837 -9.437 1.00 0.00 H new ATOM 489 N GLY A 62 -14.329 -14.324 -10.059 1.00 0.00 N ATOM 490 CA GLY A 62 -14.501 -13.314 -11.097 1.00 0.00 C ATOM 491 C GLY A 62 -14.272 -11.899 -10.554 1.00 0.00 C ATOM 492 O GLY A 62 -13.427 -11.175 -11.072 1.00 0.00 O ATOM 0 H GLY A 62 -15.159 -14.893 -9.891 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.804 -13.508 -11.913 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.506 -13.386 -11.512 1.00 0.00 H new ATOM 496 N GLU A 63 -14.995 -11.502 -9.503 1.00 0.00 N ATOM 497 CA GLU A 63 -14.954 -10.129 -9.002 1.00 0.00 C ATOM 498 C GLU A 63 -13.610 -9.828 -8.320 1.00 0.00 C ATOM 499 O GLU A 63 -13.030 -8.755 -8.517 1.00 0.00 O ATOM 500 CB GLU A 63 -16.121 -9.904 -8.028 1.00 0.00 C ATOM 501 CG GLU A 63 -17.506 -9.984 -8.692 1.00 0.00 C ATOM 502 CD GLU A 63 -17.700 -8.877 -9.740 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.705 -7.684 -9.352 1.00 0.00 O ATOM 504 OE2 GLU A 63 -17.851 -9.186 -10.947 1.00 0.00 O ATOM 0 H GLU A 63 -15.619 -12.118 -8.981 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.054 -9.445 -9.845 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.066 -10.647 -7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.008 -8.926 -7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.627 -10.958 -9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.280 -9.902 -7.929 1.00 0.00 H new ATOM 511 N TYR A 64 -13.090 -10.801 -7.561 1.00 0.00 N ATOM 512 CA TYR A 64 -11.744 -10.776 -7.013 1.00 0.00 C ATOM 513 C TYR A 64 -10.766 -10.436 -8.130 1.00 0.00 C ATOM 514 O TYR A 64 -10.017 -9.465 -8.013 1.00 0.00 O ATOM 515 CB TYR A 64 -11.430 -12.138 -6.379 1.00 0.00 C ATOM 516 CG TYR A 64 -9.966 -12.390 -6.123 1.00 0.00 C ATOM 517 CD1 TYR A 64 -9.183 -12.969 -7.136 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.384 -12.051 -4.890 1.00 0.00 C ATOM 519 CE1 TYR A 64 -7.820 -13.185 -6.923 1.00 0.00 C ATOM 520 CE2 TYR A 64 -8.021 -12.298 -4.661 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.237 -12.875 -5.684 1.00 0.00 C ATOM 522 OH TYR A 64 -5.919 -13.132 -5.490 1.00 0.00 O ATOM 0 H TYR A 64 -13.611 -11.641 -7.310 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.656 -10.017 -6.236 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.969 -12.217 -5.435 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.812 -12.924 -7.031 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.634 -13.246 -8.077 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.987 -11.599 -4.116 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.211 -13.593 -7.716 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.575 -12.049 -3.709 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.388 -12.629 -6.143 1.00 0.00 H new ATOM 532 N ARG A 65 -10.819 -11.191 -9.232 1.00 0.00 N ATOM 533 CA ARG A 65 -9.903 -11.027 -10.337 1.00 0.00 C ATOM 534 C ARG A 65 -10.068 -9.660 -10.991 1.00 0.00 C ATOM 535 O ARG A 65 -9.055 -9.078 -11.387 1.00 0.00 O ATOM 536 CB ARG A 65 -10.067 -12.183 -11.330 1.00 0.00 C ATOM 537 CG ARG A 65 -9.088 -11.995 -12.498 1.00 0.00 C ATOM 538 CD ARG A 65 -8.820 -13.321 -13.193 1.00 0.00 C ATOM 539 NE ARG A 65 -7.613 -13.234 -14.024 1.00 0.00 N ATOM 540 CZ ARG A 65 -7.543 -13.137 -15.360 1.00 0.00 C ATOM 541 NH1 ARG A 65 -8.649 -13.089 -16.102 1.00 0.00 N ATOM 542 NH2 ARG A 65 -6.353 -13.086 -15.953 1.00 0.00 N ATOM 0 H ARG A 65 -11.505 -11.932 -9.371 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.880 -11.062 -9.961 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.878 -13.134 -10.832 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.091 -12.216 -11.701 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.499 -11.281 -13.212 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.152 -11.576 -12.130 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.700 -14.110 -12.450 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.675 -13.593 -13.812 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.723 -13.249 -13.527 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.565 -13.126 -15.655 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.579 -13.015 -17.117 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.502 -13.121 -15.392 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.292 -13.012 -16.968 1.00 0.00 H new ATOM 556 N SER A 66 -11.288 -9.132 -11.098 1.00 0.00 N ATOM 557 CA SER A 66 -11.483 -7.788 -11.616 1.00 0.00 C ATOM 558 C SER A 66 -10.688 -6.765 -10.791 1.00 0.00 C ATOM 559 O SER A 66 -10.152 -5.819 -11.377 1.00 0.00 O ATOM 560 CB SER A 66 -12.973 -7.425 -11.668 1.00 0.00 C ATOM 561 OG SER A 66 -13.698 -8.361 -12.455 1.00 0.00 O ATOM 0 H SER A 66 -12.147 -9.615 -10.834 1.00 0.00 H new ATOM 0 HA SER A 66 -11.104 -7.762 -12.638 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.381 -7.401 -10.657 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.093 -6.425 -12.084 1.00 0.00 H new ATOM 0 HG SER A 66 -13.685 -9.237 -12.016 1.00 0.00 H new ATOM 567 N LEU A 67 -10.562 -6.950 -9.465 1.00 0.00 N ATOM 568 CA LEU A 67 -9.717 -6.059 -8.664 1.00 0.00 C ATOM 569 C LEU A 67 -8.219 -6.404 -8.761 1.00 0.00 C ATOM 570 O LEU A 67 -7.417 -5.507 -9.023 1.00 0.00 O ATOM 571 CB LEU A 67 -10.178 -6.018 -7.199 1.00 0.00 C ATOM 572 CG LEU A 67 -9.392 -4.993 -6.350 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.467 -3.556 -6.890 1.00 0.00 C ATOM 574 CD2 LEU A 67 -9.941 -4.977 -4.920 1.00 0.00 C ATOM 0 H LEU A 67 -11.024 -7.692 -8.939 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.836 -5.063 -9.090 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.240 -5.773 -7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.065 -7.009 -6.760 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.351 -5.314 -6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.892 -2.894 -6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.056 -3.525 -7.899 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.507 -3.229 -6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.384 -4.253 -4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.995 -4.698 -4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.835 -5.968 -4.479 1.00 0.00 H new ATOM 586 N THR A 68 -7.815 -7.658 -8.530 1.00 0.00 N ATOM 587 CA THR A 68 -6.399 -8.022 -8.395 1.00 0.00 C ATOM 588 C THR A 68 -5.659 -8.096 -9.729 1.00 0.00 C ATOM 589 O THR A 68 -4.456 -7.823 -9.792 1.00 0.00 O ATOM 590 CB THR A 68 -6.282 -9.411 -7.757 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.153 -10.294 -8.433 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.635 -9.397 -6.276 1.00 0.00 C ATOM 0 H THR A 68 -8.456 -8.446 -8.432 1.00 0.00 H new ATOM 0 HA THR A 68 -5.951 -7.237 -7.785 1.00 0.00 H new ATOM 0 HB THR A 68 -5.245 -9.736 -7.844 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.287 -11.100 -7.891 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.537 -10.403 -5.869 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.959 -8.725 -5.747 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.662 -9.053 -6.150 1.00 0.00 H new ATOM 600 N GLY A 69 -6.368 -8.459 -10.801 1.00 0.00 N ATOM 601 CA GLY A 69 -5.763 -8.807 -12.076 1.00 0.00 C ATOM 602 C GLY A 69 -5.126 -10.205 -12.000 1.00 0.00 C ATOM 603 O GLY A 69 -4.231 -10.507 -12.791 1.00 0.00 O ATOM 0 H GLY A 69 -7.386 -8.518 -10.802 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.518 -8.786 -12.862 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.006 -8.069 -12.341 1.00 0.00 H new ATOM 607 N ASP A 70 -5.548 -11.055 -11.050 1.00 0.00 N ATOM 608 CA ASP A 70 -5.004 -12.398 -10.818 1.00 0.00 C ATOM 609 C ASP A 70 -6.137 -13.351 -10.435 1.00 0.00 C ATOM 610 O ASP A 70 -7.218 -12.910 -10.066 1.00 0.00 O ATOM 611 CB ASP A 70 -3.956 -12.376 -9.685 1.00 0.00 C ATOM 612 CG ASP A 70 -3.068 -13.641 -9.652 1.00 0.00 C ATOM 613 OD1 ASP A 70 -3.071 -14.444 -10.618 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.350 -13.821 -8.641 1.00 0.00 O ATOM 0 H ASP A 70 -6.300 -10.817 -10.404 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.524 -12.738 -11.735 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.322 -11.498 -9.803 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.467 -12.274 -8.728 1.00 0.00 H new ATOM 619 N TRP A 71 -5.910 -14.657 -10.512 1.00 0.00 N ATOM 620 CA TRP A 71 -6.813 -15.664 -9.973 1.00 0.00 C ATOM 621 C TRP A 71 -6.491 -15.878 -8.491 1.00 0.00 C ATOM 622 O TRP A 71 -5.378 -15.593 -8.041 1.00 0.00 O ATOM 623 CB TRP A 71 -6.643 -16.979 -10.742 1.00 0.00 C ATOM 624 CG TRP A 71 -7.010 -16.903 -12.190 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.159 -17.035 -13.231 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.323 -16.674 -12.784 1.00 0.00 C ATOM 627 NE1 TRP A 71 -6.851 -16.924 -14.420 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.192 -16.674 -14.204 1.00 0.00 C ATOM 629 CE3 TRP A 71 -9.602 -16.401 -12.259 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -9.283 -16.426 -15.055 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -10.693 -16.125 -13.101 1.00 0.00 C ATOM 632 CH2 TRP A 71 -10.544 -16.147 -14.499 1.00 0.00 C ATOM 0 H TRP A 71 -5.081 -15.051 -10.957 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.845 -15.329 -10.078 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.605 -17.302 -10.660 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.254 -17.746 -10.265 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.095 -17.202 -13.145 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.425 -17.015 -15.342 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.747 -16.404 -11.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.154 -16.450 -16.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.656 -15.894 -12.670 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.391 -15.951 -15.140 1.00 0.00 H new ATOM 643 N ILE A 72 -7.465 -16.384 -7.731 1.00 0.00 N ATOM 644 CA ILE A 72 -7.289 -16.761 -6.332 1.00 0.00 C ATOM 645 C ILE A 72 -6.128 -17.765 -6.282 1.00 0.00 C ATOM 646 O ILE A 72 -6.173 -18.779 -6.992 1.00 0.00 O ATOM 647 CB ILE A 72 -8.601 -17.372 -5.790 1.00 0.00 C ATOM 648 CG1 ILE A 72 -9.726 -16.325 -5.631 1.00 0.00 C ATOM 649 CG2 ILE A 72 -8.371 -18.159 -4.486 1.00 0.00 C ATOM 650 CD1 ILE A 72 -9.689 -15.497 -4.345 1.00 0.00 C ATOM 0 H ILE A 72 -8.411 -16.545 -8.078 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.056 -15.900 -5.706 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.942 -18.081 -6.545 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.685 -15.644 -6.481 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.685 -16.840 -5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.318 -18.572 -4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.667 -18.970 -4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.965 -17.492 -3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.523 -14.796 -4.340 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.767 -16.160 -3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.751 -14.945 -4.295 1.00 0.00 H new ATOM 662 N PRO A 73 -5.115 -17.561 -5.426 1.00 0.00 N ATOM 663 CA PRO A 73 -3.946 -18.429 -5.380 1.00 0.00 C ATOM 664 C PRO A 73 -4.204 -19.668 -4.508 1.00 0.00 C ATOM 665 O PRO A 73 -3.306 -20.074 -3.784 1.00 0.00 O ATOM 666 CB PRO A 73 -2.821 -17.513 -4.865 1.00 0.00 C ATOM 667 CG PRO A 73 -3.569 -16.630 -3.872 1.00 0.00 C ATOM 668 CD PRO A 73 -4.909 -16.405 -4.561 1.00 0.00 C ATOM 0 HA PRO A 73 -3.680 -18.856 -6.347 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.020 -18.078 -4.388 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.367 -16.932 -5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.689 -17.120 -2.906 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.045 -15.692 -3.691 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.713 -16.316 -3.831 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.900 -15.481 -5.140 1.00 0.00 H new ATOM 676 N PHE A 74 -5.408 -20.265 -4.509 1.00 0.00 N ATOM 677 CA PHE A 74 -5.790 -21.312 -3.552 1.00 0.00 C ATOM 678 C PHE A 74 -4.788 -22.464 -3.594 1.00 0.00 C ATOM 679 O PHE A 74 -4.068 -22.702 -2.625 1.00 0.00 O ATOM 680 CB PHE A 74 -7.253 -21.770 -3.758 1.00 0.00 C ATOM 681 CG PHE A 74 -7.562 -22.545 -5.030 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.776 -21.882 -6.255 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.632 -23.949 -4.982 1.00 0.00 C ATOM 684 CE1 PHE A 74 -8.059 -22.617 -7.419 1.00 0.00 C ATOM 685 CE2 PHE A 74 -7.939 -24.684 -6.142 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.144 -24.017 -7.362 1.00 0.00 C ATOM 0 H PHE A 74 -6.144 -20.033 -5.176 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.753 -20.894 -2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.537 -22.389 -2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.891 -20.886 -3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.722 -20.804 -6.300 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.449 -24.465 -4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.211 -22.105 -8.357 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.017 -25.760 -6.095 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.367 -24.581 -8.255 1.00 0.00 H new ATOM 696 N LYS A 75 -4.645 -23.105 -4.753 1.00 0.00 N ATOM 697 CA LYS A 75 -3.778 -24.270 -4.920 1.00 0.00 C ATOM 698 C LYS A 75 -2.298 -23.877 -4.886 1.00 0.00 C ATOM 699 O LYS A 75 -1.452 -24.692 -4.529 1.00 0.00 O ATOM 700 CB LYS A 75 -4.190 -24.956 -6.233 1.00 0.00 C ATOM 701 CG LYS A 75 -3.664 -26.397 -6.347 1.00 0.00 C ATOM 702 CD LYS A 75 -4.225 -27.082 -7.602 1.00 0.00 C ATOM 703 CE LYS A 75 -3.799 -28.554 -7.728 1.00 0.00 C ATOM 704 NZ LYS A 75 -2.353 -28.729 -8.054 1.00 0.00 N ATOM 0 H LYS A 75 -5.130 -22.829 -5.607 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.899 -24.970 -4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.277 -24.965 -6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.818 -24.371 -7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.575 -26.390 -6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.947 -26.964 -5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.313 -27.025 -7.584 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.892 -26.537 -8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.017 -29.069 -6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.398 -29.033 -8.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.133 -29.743 -8.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.143 -28.265 -8.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.774 -28.301 -7.304 1.00 0.00 H new ATOM 718 N GLN A 76 -1.999 -22.625 -5.246 1.00 0.00 N ATOM 719 CA GLN A 76 -0.643 -22.093 -5.303 1.00 0.00 C ATOM 720 C GLN A 76 -0.114 -21.845 -3.874 1.00 0.00 C ATOM 721 O GLN A 76 1.043 -22.157 -3.586 1.00 0.00 O ATOM 722 CB GLN A 76 -0.646 -20.821 -6.175 1.00 0.00 C ATOM 723 CG GLN A 76 -1.110 -21.072 -7.633 1.00 0.00 C ATOM 724 CD GLN A 76 -2.252 -20.132 -8.058 1.00 0.00 C ATOM 725 OE1 GLN A 76 -2.039 -18.938 -8.249 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.479 -20.632 -8.218 1.00 0.00 N ATOM 0 H GLN A 76 -2.710 -21.943 -5.510 1.00 0.00 H new ATOM 0 HA GLN A 76 0.037 -22.809 -5.764 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.299 -20.078 -5.717 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.358 -20.398 -6.189 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.264 -20.939 -8.308 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.439 -22.106 -7.733 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.650 -21.625 -8.058 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.246 -20.021 -8.500 1.00 0.00 H new ATOM 735 N LEU A 77 -0.960 -21.330 -2.967 1.00 0.00 N ATOM 736 CA LEU A 77 -0.662 -21.183 -1.538 1.00 0.00 C ATOM 737 C LEU A 77 -0.771 -22.533 -0.813 1.00 0.00 C ATOM 738 O LEU A 77 -0.089 -22.728 0.196 1.00 0.00 O ATOM 739 CB LEU A 77 -1.589 -20.140 -0.882 1.00 0.00 C ATOM 740 CG LEU A 77 -1.317 -18.671 -1.274 1.00 0.00 C ATOM 741 CD1 LEU A 77 -2.360 -17.740 -0.636 1.00 0.00 C ATOM 742 CD2 LEU A 77 0.076 -18.177 -0.864 1.00 0.00 C ATOM 0 H LEU A 77 -1.892 -20.997 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 77 0.365 -20.828 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.620 -20.382 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.502 -20.231 0.201 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.379 -18.644 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.152 -16.709 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.356 -18.019 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.313 -17.830 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.198 -17.138 -1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.185 -18.251 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.836 -18.790 -1.348 1.00 0.00 H new ATOM 754 N GLY A 78 -1.575 -23.472 -1.330 1.00 0.00 N ATOM 755 CA GLY A 78 -1.613 -24.867 -0.875 1.00 0.00 C ATOM 756 C GLY A 78 -2.954 -25.285 -0.264 1.00 0.00 C ATOM 757 O GLY A 78 -3.045 -26.361 0.338 1.00 0.00 O ATOM 0 H GLY A 78 -2.228 -23.279 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.390 -25.520 -1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.825 -25.020 -0.137 1.00 0.00 H new ATOM 761 N TYR A 79 -3.993 -24.463 -0.413 1.00 0.00 N ATOM 762 CA TYR A 79 -5.357 -24.800 -0.029 1.00 0.00 C ATOM 763 C TYR A 79 -5.939 -25.681 -1.142 1.00 0.00 C ATOM 764 O TYR A 79 -5.713 -25.380 -2.317 1.00 0.00 O ATOM 765 CB TYR A 79 -6.183 -23.514 0.093 1.00 0.00 C ATOM 766 CG TYR A 79 -5.543 -22.511 1.026 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.656 -22.680 2.413 1.00 0.00 C ATOM 768 CD2 TYR A 79 -4.828 -21.421 0.502 1.00 0.00 C ATOM 769 CE1 TYR A 79 -5.031 -21.777 3.280 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.214 -20.500 1.366 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.307 -20.677 2.767 1.00 0.00 C ATOM 772 OH TYR A 79 -3.694 -19.786 3.600 1.00 0.00 O ATOM 0 H TYR A 79 -3.905 -23.528 -0.812 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.376 -25.322 0.928 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.302 -23.066 -0.893 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.182 -23.759 0.455 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.225 -23.507 2.812 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.750 -21.291 -0.567 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.102 -21.921 4.348 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.672 -19.658 0.962 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.244 -19.097 3.068 1.00 0.00 H new ATOM 782 N PRO A 80 -6.701 -26.740 -0.829 1.00 0.00 N ATOM 783 CA PRO A 80 -7.151 -27.671 -1.855 1.00 0.00 C ATOM 784 C PRO A 80 -8.200 -27.072 -2.793 1.00 0.00 C ATOM 785 O PRO A 80 -8.291 -27.499 -3.948 1.00 0.00 O ATOM 786 CB PRO A 80 -7.696 -28.883 -1.091 1.00 0.00 C ATOM 787 CG PRO A 80 -8.122 -28.294 0.255 1.00 0.00 C ATOM 788 CD PRO A 80 -7.037 -27.243 0.495 1.00 0.00 C ATOM 0 HA PRO A 80 -6.328 -27.941 -2.517 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.536 -29.342 -1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.937 -29.655 -0.969 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.117 -27.851 0.211 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.143 -29.047 1.043 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.398 -26.443 1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.166 -27.679 0.984 1.00 0.00 H new ATOM 796 N THR A 81 -8.997 -26.100 -2.328 1.00 0.00 N ATOM 797 CA THR A 81 -10.159 -25.601 -3.052 1.00 0.00 C ATOM 798 C THR A 81 -10.320 -24.100 -2.809 1.00 0.00 C ATOM 799 O THR A 81 -9.727 -23.539 -1.883 1.00 0.00 O ATOM 800 CB THR A 81 -11.394 -26.382 -2.557 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.418 -26.308 -1.141 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.392 -27.858 -2.959 1.00 0.00 C ATOM 0 H THR A 81 -8.846 -25.639 -1.431 1.00 0.00 H new ATOM 0 HA THR A 81 -10.040 -25.747 -4.126 1.00 0.00 H new ATOM 0 HB THR A 81 -12.270 -25.928 -3.020 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.097 -26.923 -0.793 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.291 -28.341 -2.575 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.372 -27.939 -4.046 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.512 -28.347 -2.543 1.00 0.00 H new ATOM 810 N LEU A 82 -11.181 -23.453 -3.607 1.00 0.00 N ATOM 811 CA LEU A 82 -11.574 -22.059 -3.389 1.00 0.00 C ATOM 812 C LEU A 82 -12.221 -21.925 -2.026 1.00 0.00 C ATOM 813 O LEU A 82 -11.910 -20.986 -1.303 1.00 0.00 O ATOM 814 CB LEU A 82 -12.574 -21.571 -4.463 1.00 0.00 C ATOM 815 CG LEU A 82 -12.006 -21.219 -5.849 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.882 -20.188 -5.744 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.515 -22.439 -6.630 1.00 0.00 C ATOM 0 H LEU A 82 -11.622 -23.883 -4.420 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.674 -21.447 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.331 -22.344 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.084 -20.690 -4.074 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.840 -20.792 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.502 -19.961 -6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.266 -19.277 -5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.075 -20.590 -5.131 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.127 -22.120 -7.597 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.724 -22.936 -6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.343 -23.131 -6.781 1.00 0.00 H new ATOM 829 N GLU A 83 -13.097 -22.868 -1.663 1.00 0.00 N ATOM 830 CA GLU A 83 -13.732 -22.827 -0.359 1.00 0.00 C ATOM 831 C GLU A 83 -12.657 -22.897 0.719 1.00 0.00 C ATOM 832 O GLU A 83 -12.696 -22.069 1.613 1.00 0.00 O ATOM 833 CB GLU A 83 -14.849 -23.877 -0.202 1.00 0.00 C ATOM 834 CG GLU A 83 -14.385 -25.340 -0.158 1.00 0.00 C ATOM 835 CD GLU A 83 -15.552 -26.309 0.094 1.00 0.00 C ATOM 836 OE1 GLU A 83 -16.202 -26.753 -0.883 1.00 0.00 O ATOM 837 OE2 GLU A 83 -15.819 -26.629 1.277 1.00 0.00 O ATOM 0 H GLU A 83 -13.374 -23.655 -2.250 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.257 -21.878 -0.247 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.399 -23.662 0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.550 -23.762 -1.029 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.900 -25.595 -1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.639 -25.460 0.627 1.00 0.00 H new ATOM 844 N ALA A 84 -11.661 -23.789 0.632 1.00 0.00 N ATOM 845 CA ALA A 84 -10.650 -23.939 1.681 1.00 0.00 C ATOM 846 C ALA A 84 -9.812 -22.670 1.847 1.00 0.00 C ATOM 847 O ALA A 84 -9.544 -22.256 2.974 1.00 0.00 O ATOM 848 CB ALA A 84 -9.767 -25.147 1.373 1.00 0.00 C ATOM 0 H ALA A 84 -11.536 -24.420 -0.160 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.161 -24.105 2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.015 -25.257 2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.382 -26.046 1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.273 -25.001 0.412 1.00 0.00 H new ATOM 854 N TYR A 85 -9.457 -22.010 0.742 1.00 0.00 N ATOM 855 CA TYR A 85 -8.824 -20.699 0.782 1.00 0.00 C ATOM 856 C TYR A 85 -9.716 -19.706 1.544 1.00 0.00 C ATOM 857 O TYR A 85 -9.244 -19.041 2.463 1.00 0.00 O ATOM 858 CB TYR A 85 -8.515 -20.233 -0.645 1.00 0.00 C ATOM 859 CG TYR A 85 -8.094 -18.783 -0.739 1.00 0.00 C ATOM 860 CD1 TYR A 85 -6.769 -18.404 -0.448 1.00 0.00 C ATOM 861 CD2 TYR A 85 -9.035 -17.807 -1.115 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.376 -17.057 -0.539 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.653 -16.456 -1.192 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.314 -16.077 -0.935 1.00 0.00 C ATOM 865 OH TYR A 85 -6.915 -14.779 -1.067 1.00 0.00 O ATOM 0 H TYR A 85 -9.602 -22.372 -0.201 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.878 -20.757 1.320 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.723 -20.858 -1.057 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.398 -20.386 -1.266 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.050 -19.154 -0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.050 -18.095 -1.344 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.360 -16.772 -0.307 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.385 -15.704 -1.448 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.677 -14.229 -1.347 1.00 0.00 H new ATOM 875 N LEU A 86 -11.016 -19.646 1.217 1.00 0.00 N ATOM 876 CA LEU A 86 -11.964 -18.742 1.871 1.00 0.00 C ATOM 877 C LEU A 86 -12.213 -19.104 3.349 1.00 0.00 C ATOM 878 O LEU A 86 -12.367 -18.202 4.173 1.00 0.00 O ATOM 879 CB LEU A 86 -13.273 -18.723 1.062 1.00 0.00 C ATOM 880 CG LEU A 86 -13.136 -18.131 -0.354 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.279 -18.636 -1.232 1.00 0.00 C ATOM 882 CD2 LEU A 86 -13.138 -16.602 -0.305 1.00 0.00 C ATOM 0 H LEU A 86 -11.436 -20.225 0.490 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.530 -17.742 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.651 -19.742 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -14.018 -18.149 1.613 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.186 -18.453 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.181 -18.217 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.241 -19.724 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.232 -18.328 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -13.040 -16.205 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.073 -16.253 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.302 -16.256 0.303 1.00 0.00 H new ATOM 894 N ARG A 87 -12.209 -20.393 3.723 1.00 0.00 N ATOM 895 CA ARG A 87 -12.251 -20.844 5.131 1.00 0.00 C ATOM 896 C ARG A 87 -11.055 -20.274 5.897 1.00 0.00 C ATOM 897 O ARG A 87 -11.198 -19.914 7.062 1.00 0.00 O ATOM 898 CB ARG A 87 -12.190 -22.388 5.297 1.00 0.00 C ATOM 899 CG ARG A 87 -13.498 -23.205 5.260 1.00 0.00 C ATOM 900 CD ARG A 87 -14.014 -23.441 3.837 1.00 0.00 C ATOM 901 NE ARG A 87 -14.906 -24.606 3.651 1.00 0.00 N ATOM 902 CZ ARG A 87 -16.045 -24.947 4.272 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.497 -24.294 5.340 1.00 0.00 N ATOM 904 NH2 ARG A 87 -16.735 -25.974 3.799 1.00 0.00 N ATOM 0 H ARG A 87 -12.176 -21.162 3.054 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.206 -20.489 5.518 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.540 -22.776 4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.701 -22.596 6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.333 -24.167 5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.262 -22.684 5.836 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.546 -22.547 3.513 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.155 -23.558 3.176 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.604 -25.260 2.929 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -15.972 -23.503 5.714 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.368 -24.584 5.784 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.397 -26.483 2.983 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.605 -26.256 4.251 1.00 0.00 H new ATOM 918 N SER A 88 -9.888 -20.207 5.260 1.00 0.00 N ATOM 919 CA SER A 88 -8.605 -19.897 5.889 1.00 0.00 C ATOM 920 C SER A 88 -8.361 -18.397 6.156 1.00 0.00 C ATOM 921 O SER A 88 -7.235 -18.014 6.484 1.00 0.00 O ATOM 922 CB SER A 88 -7.490 -20.540 5.058 1.00 0.00 C ATOM 923 OG SER A 88 -7.721 -21.940 4.961 1.00 0.00 O ATOM 0 H SER A 88 -9.806 -20.373 4.257 1.00 0.00 H new ATOM 0 HA SER A 88 -8.616 -20.324 6.892 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.460 -20.095 4.063 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.521 -20.351 5.521 1.00 0.00 H new ATOM 0 HG SER A 88 -8.366 -22.116 4.244 1.00 0.00 H new ATOM 929 N VAL A 89 -9.381 -17.535 6.040 1.00 0.00 N ATOM 930 CA VAL A 89 -9.290 -16.096 6.321 1.00 0.00 C ATOM 931 C VAL A 89 -10.435 -15.643 7.267 1.00 0.00 C ATOM 932 O VAL A 89 -11.052 -14.600 7.039 1.00 0.00 O ATOM 933 CB VAL A 89 -9.130 -15.363 4.958 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.218 -15.741 3.936 1.00 0.00 C ATOM 935 CG2 VAL A 89 -8.980 -13.836 5.049 1.00 0.00 C ATOM 0 H VAL A 89 -10.312 -17.825 5.742 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.409 -15.822 6.901 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.173 -15.735 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.050 -15.196 3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.177 -16.813 3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.198 -15.482 4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.875 -13.420 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.863 -13.412 5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.096 -13.592 5.638 1.00 0.00 H new ATOM 945 N PRO A 90 -10.758 -16.373 8.356 1.00 0.00 N ATOM 946 CA PRO A 90 -11.961 -16.112 9.147 1.00 0.00 C ATOM 947 C PRO A 90 -11.908 -14.800 9.951 1.00 0.00 C ATOM 948 O PRO A 90 -12.948 -14.314 10.401 1.00 0.00 O ATOM 949 CB PRO A 90 -12.106 -17.333 10.059 1.00 0.00 C ATOM 950 CG PRO A 90 -10.662 -17.762 10.310 1.00 0.00 C ATOM 951 CD PRO A 90 -9.964 -17.427 8.993 1.00 0.00 C ATOM 0 HA PRO A 90 -12.823 -15.972 8.494 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.618 -17.082 10.988 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.683 -18.125 9.581 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.221 -17.222 11.148 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.592 -18.824 10.544 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.943 -17.089 9.170 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.902 -18.307 8.352 1.00 0.00 H new ATOM 959 N ALA A 91 -10.714 -14.214 10.134 1.00 0.00 N ATOM 960 CA ALA A 91 -10.540 -12.960 10.865 1.00 0.00 C ATOM 961 C ALA A 91 -10.848 -11.729 10.000 1.00 0.00 C ATOM 962 O ALA A 91 -10.890 -10.618 10.530 1.00 0.00 O ATOM 963 CB ALA A 91 -9.108 -12.886 11.410 1.00 0.00 C ATOM 0 H ALA A 91 -9.842 -14.603 9.775 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.254 -12.951 11.688 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.974 -11.952 11.956 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.930 -13.727 12.080 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.401 -12.926 10.582 1.00 0.00 H new ATOM 969 N VAL A 92 -11.038 -11.903 8.686 1.00 0.00 N ATOM 970 CA VAL A 92 -11.187 -10.792 7.736 1.00 0.00 C ATOM 971 C VAL A 92 -12.356 -11.055 6.770 1.00 0.00 C ATOM 972 O VAL A 92 -12.946 -10.112 6.239 1.00 0.00 O ATOM 973 CB VAL A 92 -9.847 -10.564 6.991 1.00 0.00 C ATOM 974 CG1 VAL A 92 -9.861 -9.266 6.178 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.620 -10.519 7.922 1.00 0.00 C ATOM 0 H VAL A 92 -11.093 -12.823 8.249 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.429 -9.877 8.277 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.755 -11.429 6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.904 -9.144 5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.660 -9.309 5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.029 -8.421 6.845 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.720 -10.357 7.330 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.736 -9.705 8.637 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.536 -11.464 8.459 1.00 0.00 H new ATOM 985 N VAL A 93 -12.738 -12.312 6.568 1.00 0.00 N ATOM 986 CA VAL A 93 -13.715 -12.766 5.588 1.00 0.00 C ATOM 987 C VAL A 93 -14.618 -13.793 6.293 1.00 0.00 C ATOM 988 O VAL A 93 -14.300 -14.307 7.363 1.00 0.00 O ATOM 989 CB VAL A 93 -12.926 -13.310 4.368 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.699 -14.174 3.356 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.244 -12.146 3.625 1.00 0.00 C ATOM 0 H VAL A 93 -12.352 -13.082 7.114 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.371 -11.984 5.206 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.209 -13.998 4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.027 -14.486 2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.098 -15.055 3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.520 -13.594 2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.692 -12.534 2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.001 -11.442 3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.556 -11.637 4.300 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.779 -14.049 5.698 1.00 0.00 N ATOM 1002 CA ARG A 94 -16.864 -14.858 6.253 1.00 0.00 C ATOM 1003 C ARG A 94 -17.464 -15.622 5.087 1.00 0.00 C ATOM 1004 O ARG A 94 -17.389 -15.156 3.956 1.00 0.00 O ATOM 1005 CB ARG A 94 -17.841 -13.903 6.969 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.235 -14.470 7.307 1.00 0.00 C ATOM 1007 CD ARG A 94 -20.038 -13.546 8.238 1.00 0.00 C ATOM 1008 NE ARG A 94 -20.106 -12.153 7.739 1.00 0.00 N ATOM 1009 CZ ARG A 94 -20.432 -11.077 8.474 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -21.001 -11.215 9.667 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -20.178 -9.861 7.997 1.00 0.00 N ATOM 0 H ARG A 94 -16.001 -13.682 4.773 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.551 -15.588 6.999 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.374 -13.570 7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.974 -13.020 6.344 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.794 -14.625 6.384 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.122 -15.446 7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -21.049 -13.938 8.349 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.584 -13.551 9.229 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.887 -11.998 6.755 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -21.195 -12.146 10.035 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.244 -10.390 10.215 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.740 -9.753 7.082 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.421 -9.037 8.546 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.069 -16.779 5.330 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.710 -17.580 4.298 1.00 0.00 C ATOM 1027 C ILE A 95 -19.971 -18.215 4.888 1.00 0.00 C ATOM 1028 O ILE A 95 -20.036 -18.463 6.093 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.736 -18.635 3.723 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.208 -19.611 4.792 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.549 -17.986 2.988 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.273 -20.691 4.246 1.00 0.00 C ATOM 0 H ILE A 95 -18.128 -17.191 6.261 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.996 -16.946 3.459 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.325 -19.208 3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.681 -19.043 5.558 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.056 -20.092 5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -15.891 -18.764 2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -16.920 -17.380 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -15.994 -17.353 3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -15.946 -21.336 5.062 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.801 -21.287 3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.404 -20.221 3.785 1.00 0.00 H new ATOM 1044 N GLU A 96 -20.944 -18.519 4.031 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.118 -19.310 4.362 1.00 0.00 C ATOM 1046 C GLU A 96 -22.268 -20.356 3.259 1.00 0.00 C ATOM 1047 O GLU A 96 -22.667 -20.033 2.141 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.379 -18.436 4.500 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.333 -17.519 5.733 1.00 0.00 C ATOM 1050 CD GLU A 96 -24.728 -16.950 6.058 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -25.484 -17.600 6.825 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -25.079 -15.854 5.558 1.00 0.00 O ATOM 0 H GLU A 96 -20.933 -18.210 3.059 1.00 0.00 H new ATOM 0 HA GLU A 96 -21.995 -19.791 5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.494 -17.827 3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.257 -19.079 4.563 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -22.956 -18.077 6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.636 -16.700 5.554 1.00 0.00 H new ATOM 1059 N ALA A 97 -21.879 -21.598 3.556 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.154 -22.745 2.699 1.00 0.00 C ATOM 1061 C ALA A 97 -23.621 -23.127 2.924 1.00 0.00 C ATOM 1062 O ALA A 97 -24.026 -23.381 4.062 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.204 -23.899 3.037 1.00 0.00 C ATOM 0 H ALA A 97 -21.362 -21.834 4.403 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.990 -22.508 1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.420 -24.749 2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.173 -23.579 2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.342 -24.191 4.078 1.00 0.00 H new ATOM 1069 N SER A 98 -24.419 -23.101 1.855 1.00 0.00 N ATOM 1070 CA SER A 98 -25.858 -23.294 1.926 1.00 0.00 C ATOM 1071 C SER A 98 -26.208 -24.765 1.685 1.00 0.00 C ATOM 1072 O SER A 98 -25.407 -25.546 1.166 1.00 0.00 O ATOM 1073 CB SER A 98 -26.537 -22.363 0.910 1.00 0.00 C ATOM 1074 OG SER A 98 -27.923 -22.212 1.203 1.00 0.00 O ATOM 0 H SER A 98 -24.075 -22.943 0.908 1.00 0.00 H new ATOM 0 HA SER A 98 -26.224 -23.040 2.921 1.00 0.00 H new ATOM 0 HB2 SER A 98 -26.050 -21.388 0.923 1.00 0.00 H new ATOM 0 HB3 SER A 98 -26.416 -22.766 -0.096 1.00 0.00 H new ATOM 0 HG SER A 98 -28.181 -21.273 1.091 1.00 0.00 H new ATOM 1080 N ARG A 99 -27.453 -25.123 2.013 1.00 0.00 N ATOM 1081 CA ARG A 99 -28.008 -26.478 1.858 1.00 0.00 C ATOM 1082 C ARG A 99 -27.868 -27.037 0.438 1.00 0.00 C ATOM 1083 O ARG A 99 -27.740 -28.251 0.270 1.00 0.00 O ATOM 1084 CB ARG A 99 -29.469 -26.529 2.355 1.00 0.00 C ATOM 1085 CG ARG A 99 -30.558 -25.915 1.449 1.00 0.00 C ATOM 1086 CD ARG A 99 -30.410 -24.410 1.178 1.00 0.00 C ATOM 1087 NE ARG A 99 -31.514 -23.890 0.353 1.00 0.00 N ATOM 1088 CZ ARG A 99 -31.503 -22.731 -0.322 1.00 0.00 C ATOM 1089 NH1 ARG A 99 -30.444 -21.919 -0.286 1.00 0.00 N ATOM 1090 NH2 ARG A 99 -32.570 -22.385 -1.037 1.00 0.00 N ATOM 0 H ARG A 99 -28.124 -24.462 2.405 1.00 0.00 H new ATOM 0 HA ARG A 99 -27.407 -27.135 2.486 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -29.728 -27.573 2.529 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -29.512 -26.025 3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -30.554 -26.442 0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -31.531 -26.092 1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -30.380 -23.872 2.125 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -29.461 -24.223 0.675 1.00 0.00 H new ATOM 0 HE ARG A 99 -32.358 -24.459 0.290 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -29.623 -22.176 0.262 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -30.456 -21.042 -0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -33.384 -22.999 -1.068 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -32.574 -21.506 -1.555 1.00 0.00 H new ATOM 1104 N SER A 100 -27.883 -26.170 -0.578 1.00 0.00 N ATOM 1105 CA SER A 100 -27.784 -26.548 -1.984 1.00 0.00 C ATOM 1106 C SER A 100 -26.371 -27.014 -2.374 1.00 0.00 C ATOM 1107 O SER A 100 -26.186 -27.524 -3.482 1.00 0.00 O ATOM 1108 CB SER A 100 -28.216 -25.348 -2.838 1.00 0.00 C ATOM 1109 OG SER A 100 -29.411 -24.762 -2.325 1.00 0.00 O ATOM 0 H SER A 100 -27.966 -25.163 -0.439 1.00 0.00 H new ATOM 0 HA SER A 100 -28.441 -27.399 -2.161 1.00 0.00 H new ATOM 0 HB2 SER A 100 -27.420 -24.604 -2.856 1.00 0.00 H new ATOM 0 HB3 SER A 100 -28.376 -25.668 -3.868 1.00 0.00 H new ATOM 0 HG SER A 100 -29.667 -23.998 -2.883 1.00 0.00 H new ATOM 1115 N GLY A 101 -25.371 -26.828 -1.502 1.00 0.00 N ATOM 1116 CA GLY A 101 -23.969 -27.135 -1.777 1.00 0.00 C ATOM 1117 C GLY A 101 -23.217 -25.940 -2.371 1.00 0.00 C ATOM 1118 O GLY A 101 -22.024 -26.055 -2.657 1.00 0.00 O ATOM 0 H GLY A 101 -25.522 -26.451 -0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -23.480 -27.447 -0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -23.912 -27.976 -2.468 1.00 0.00 H new ATOM 1122 N GLU A 102 -23.883 -24.793 -2.561 1.00 0.00 N ATOM 1123 CA GLU A 102 -23.231 -23.540 -2.912 1.00 0.00 C ATOM 1124 C GLU A 102 -22.596 -22.966 -1.641 1.00 0.00 C ATOM 1125 O GLU A 102 -22.948 -23.353 -0.526 1.00 0.00 O ATOM 1126 CB GLU A 102 -24.263 -22.549 -3.487 1.00 0.00 C ATOM 1127 CG GLU A 102 -24.856 -22.990 -4.834 1.00 0.00 C ATOM 1128 CD GLU A 102 -23.800 -23.203 -5.939 1.00 0.00 C ATOM 1129 OE1 GLU A 102 -22.846 -22.400 -6.046 1.00 0.00 O ATOM 1130 OE2 GLU A 102 -23.923 -24.185 -6.714 1.00 0.00 O ATOM 0 H GLU A 102 -24.896 -24.716 -2.473 1.00 0.00 H new ATOM 0 HA GLU A 102 -22.467 -23.710 -3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -25.072 -22.422 -2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -23.790 -21.575 -3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -25.410 -23.918 -4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -25.572 -22.239 -5.168 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.713 -21.985 -1.793 1.00 0.00 N ATOM 1138 CA ILE A 103 -21.179 -21.189 -0.701 1.00 0.00 C ATOM 1139 C ILE A 103 -21.169 -19.752 -1.177 1.00 0.00 C ATOM 1140 O ILE A 103 -20.776 -19.490 -2.314 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.801 -21.720 -0.216 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -19.082 -20.765 0.764 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.856 -22.157 -1.338 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.190 -19.698 0.109 1.00 0.00 C ATOM 0 H ILE A 103 -21.341 -21.717 -2.704 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.801 -21.260 0.191 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.064 -22.623 0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.834 -20.262 1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.470 -21.360 1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.920 -22.513 -0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.319 -22.959 -1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.655 -21.311 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.733 -19.081 0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.409 -20.185 -0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.795 -19.070 -0.545 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.566 -18.839 -0.294 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.615 -17.408 -0.534 1.00 0.00 C ATOM 1158 C VAL A 104 -20.549 -16.797 0.376 1.00 0.00 C ATOM 1159 O VAL A 104 -20.493 -17.122 1.562 1.00 0.00 O ATOM 1160 CB VAL A 104 -23.039 -16.876 -0.235 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.180 -15.439 -0.760 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -24.151 -17.744 -0.857 1.00 0.00 C ATOM 0 H VAL A 104 -21.874 -19.091 0.645 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.410 -17.144 -1.572 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.161 -16.909 0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.183 -15.071 -0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.447 -14.799 -0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -23.010 -15.427 -1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -25.124 -17.319 -0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -24.029 -17.771 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -24.087 -18.757 -0.460 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.669 -15.969 -0.185 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.565 -15.336 0.529 1.00 0.00 C ATOM 1174 C CYS A 105 -18.984 -13.933 0.960 1.00 0.00 C ATOM 1175 O CYS A 105 -19.714 -13.284 0.219 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.335 -15.235 -0.392 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.108 -16.717 -1.421 1.00 0.00 S ATOM 0 H CYS A 105 -19.706 -15.715 -1.172 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.312 -15.935 1.404 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.439 -14.362 -1.037 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.443 -15.079 0.215 1.00 0.00 H new ATOM 0 HG CYS A 105 -17.978 -16.712 -2.387 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.451 -13.442 2.081 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.750 -12.138 2.676 1.00 0.00 C ATOM 1185 C TYR A 106 -17.493 -11.566 3.322 1.00 0.00 C ATOM 1186 O TYR A 106 -16.525 -12.289 3.554 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.811 -12.318 3.766 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.162 -12.730 3.250 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -22.008 -11.754 2.691 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.574 -14.076 3.342 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.303 -12.101 2.287 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.853 -14.438 2.892 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.730 -13.451 2.367 1.00 0.00 C ATOM 1194 OH TYR A 106 -24.978 -13.818 1.946 1.00 0.00 O ATOM 0 H TYR A 106 -17.767 -13.968 2.624 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.108 -11.463 1.899 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.462 -13.067 4.477 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.914 -11.382 4.315 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.659 -10.739 2.574 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.911 -14.822 3.755 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.975 -11.342 1.915 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.171 -15.469 2.945 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.096 -14.782 2.075 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.506 -10.277 3.662 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.422 -9.657 4.416 1.00 0.00 C ATOM 1206 C ALA A 107 -16.691 -9.765 5.915 1.00 0.00 C ATOM 1207 O ALA A 107 -17.816 -10.049 6.333 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.295 -8.184 4.019 1.00 0.00 C ATOM 0 H ALA A 107 -18.265 -9.638 3.423 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.491 -10.176 4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.484 -7.724 4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.081 -8.112 2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.229 -7.666 4.237 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.665 -9.466 6.708 1.00 0.00 N ATOM 1215 CA VAL A 108 -15.757 -9.333 8.165 1.00 0.00 C ATOM 1216 C VAL A 108 -14.898 -8.172 8.703 1.00 0.00 C ATOM 1217 O VAL A 108 -15.277 -7.573 9.717 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.457 -10.707 8.823 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -14.394 -10.713 9.932 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.745 -11.311 9.396 1.00 0.00 C ATOM 0 H VAL A 108 -14.724 -9.305 6.350 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.774 -9.055 8.441 1.00 0.00 H new ATOM 0 HB VAL A 108 -15.043 -11.299 8.007 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -14.272 -11.727 10.314 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.445 -10.361 9.528 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.710 -10.056 10.742 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.522 -12.274 9.855 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.160 -10.638 10.147 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.470 -11.450 8.594 1.00 0.00 H new ATOM 1230 N ALA A 109 -13.791 -7.808 8.044 1.00 0.00 N ATOM 1231 CA ALA A 109 -12.940 -6.674 8.410 1.00 0.00 C ATOM 1232 C ALA A 109 -12.343 -6.070 7.135 1.00 0.00 C ATOM 1233 O ALA A 109 -11.307 -5.369 7.211 1.00 0.00 O ATOM 1234 CB ALA A 109 -11.854 -7.116 9.400 1.00 0.00 C ATOM 1235 OXT ALA A 109 -12.935 -6.298 6.058 1.00 0.00 O ATOM 0 H ALA A 109 -13.456 -8.308 7.221 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.532 -5.908 8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.230 -6.261 9.662 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.322 -7.513 10.301 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.237 -7.889 8.942 1.00 0.00 H new TER 1241 ALA A 109