USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 784 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 48 ASN : amide:sc= -9.41! C(o=-9.6!,f=-22!) USER MOD Set 1.2: A 52 SER OG : rot 47:sc= -0.224 USER MOD Single : A 1 GLU N :NH3+ 165:sc= 0.00392 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 39:sc= 0.0874 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -72:sc= 0.503! USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0434) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -4.36! C(o=-4.4!,f=-10!) USER MOD Single : A 34 ASN :FLIP amide:sc= -2.71 F(o=-4.1!,f=-2.7) USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= -0.0588 (180deg=-0.322) USER MOD Single : A 40 ASN : amide:sc= -0.332 K(o=-0.33,f=-4.4!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 150:sc= 0.0506 USER MOD Single : A 61 HIS : no HD1:sc= -5.1! C(o=-5.1!,f=-9.1!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 149:sc= -0.402 (180deg=-1.96!) USER MOD Single : A 67 SER OG : rot 180:sc= -2.18! USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= -0.274 USER MOD Single : A 72 THR OG1 : rot 13:sc= 0.949 USER MOD Single : A 73 SER OG : rot 57:sc= 0.183 USER MOD Single : A 74 THR OG1 : rot -133:sc= 1.1 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.663 USER MOD Single : A 85 TYR OH : rot -40:sc= -0.769 USER MOD Single : A 86 THR OG1 : rot 170:sc= -3.08 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 139:sc= -1.35 (180deg=-2.67) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.207 17.383 3.302 1.00 0.00 N ATOM 2 CA GLU A 1 2.233 16.749 2.370 1.00 0.00 C ATOM 3 C GLU A 1 2.064 15.273 2.734 1.00 0.00 C ATOM 4 O GLU A 1 2.938 14.664 3.320 1.00 0.00 O ATOM 5 CB GLU A 1 2.751 16.864 0.935 1.00 0.00 C ATOM 6 CG GLU A 1 1.593 17.231 0.004 1.00 0.00 C ATOM 7 CD GLU A 1 1.294 16.056 -0.928 1.00 0.00 C ATOM 8 OE1 GLU A 1 1.668 14.946 -0.588 1.00 0.00 O ATOM 9 OE2 GLU A 1 0.694 16.286 -1.965 1.00 0.00 O ATOM 0 H1 GLU A 1 3.515 18.297 2.913 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.755 17.535 4.226 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.032 16.760 3.418 1.00 0.00 H new ATOM 0 HA GLU A 1 1.271 17.255 2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.532 17.622 0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.199 15.921 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.707 17.479 0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.848 18.116 -0.579 1.00 0.00 H new ATOM 18 N THR A 2 0.946 14.694 2.394 1.00 0.00 N ATOM 19 CA THR A 2 0.721 13.259 2.722 1.00 0.00 C ATOM 20 C THR A 2 0.116 12.545 1.512 1.00 0.00 C ATOM 21 O THR A 2 -0.844 13.003 0.924 1.00 0.00 O ATOM 22 CB THR A 2 -0.240 13.152 3.909 1.00 0.00 C ATOM 23 OG1 THR A 2 0.274 13.901 5.002 1.00 0.00 O ATOM 24 CG2 THR A 2 -0.387 11.686 4.317 1.00 0.00 C ATOM 0 H THR A 2 0.179 15.153 1.903 1.00 0.00 H new ATOM 0 HA THR A 2 1.672 12.793 2.979 1.00 0.00 H new ATOM 0 HB THR A 2 -1.215 13.547 3.624 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.341 13.835 5.762 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.071 11.610 5.162 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.782 11.113 3.478 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.587 11.288 4.602 1.00 0.00 H new ATOM 32 N TYR A 3 0.668 11.424 1.137 1.00 0.00 N ATOM 33 CA TYR A 3 0.124 10.679 -0.032 1.00 0.00 C ATOM 34 C TYR A 3 -0.898 9.649 0.453 1.00 0.00 C ATOM 35 O TYR A 3 -0.806 9.140 1.552 1.00 0.00 O ATOM 36 CB TYR A 3 1.264 9.963 -0.756 1.00 0.00 C ATOM 37 CG TYR A 3 2.089 10.972 -1.516 1.00 0.00 C ATOM 38 CD1 TYR A 3 3.038 11.750 -0.842 1.00 0.00 C ATOM 39 CD2 TYR A 3 1.906 11.130 -2.895 1.00 0.00 C ATOM 40 CE1 TYR A 3 3.804 12.685 -1.547 1.00 0.00 C ATOM 41 CE2 TYR A 3 2.672 12.065 -3.600 1.00 0.00 C ATOM 42 CZ TYR A 3 3.621 12.843 -2.926 1.00 0.00 C ATOM 43 OH TYR A 3 4.376 13.765 -3.621 1.00 0.00 O ATOM 0 H TYR A 3 1.473 10.992 1.590 1.00 0.00 H new ATOM 0 HA TYR A 3 -0.358 11.377 -0.716 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.889 9.433 -0.038 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.862 9.216 -1.441 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.179 11.629 0.222 1.00 0.00 H new ATOM 0 HD2 TYR A 3 1.174 10.530 -3.415 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.536 13.285 -1.027 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.531 12.186 -4.664 1.00 0.00 H new ATOM 0 HH TYR A 3 4.124 13.747 -4.568 1.00 0.00 H new ATOM 53 N THR A 4 -1.873 9.338 -0.357 1.00 0.00 N ATOM 54 CA THR A 4 -2.898 8.342 0.063 1.00 0.00 C ATOM 55 C THR A 4 -3.560 7.734 -1.175 1.00 0.00 C ATOM 56 O THR A 4 -3.915 8.430 -2.105 1.00 0.00 O ATOM 57 CB THR A 4 -3.961 9.036 0.918 1.00 0.00 C ATOM 58 OG1 THR A 4 -5.082 8.177 1.064 1.00 0.00 O ATOM 59 CG2 THR A 4 -4.396 10.334 0.238 1.00 0.00 C ATOM 0 H THR A 4 -2.004 9.730 -1.290 1.00 0.00 H new ATOM 0 HA THR A 4 -2.420 7.553 0.643 1.00 0.00 H new ATOM 0 HB THR A 4 -3.547 9.264 1.900 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.774 7.254 1.182 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.153 10.828 0.847 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.535 10.992 0.126 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.811 10.109 -0.744 1.00 0.00 H new ATOM 67 N VAL A 5 -3.732 6.441 -1.192 1.00 0.00 N ATOM 68 CA VAL A 5 -4.374 5.791 -2.367 1.00 0.00 C ATOM 69 C VAL A 5 -5.769 5.303 -1.977 1.00 0.00 C ATOM 70 O VAL A 5 -5.922 4.286 -1.329 1.00 0.00 O ATOM 71 CB VAL A 5 -3.528 4.600 -2.819 1.00 0.00 C ATOM 72 CG1 VAL A 5 -2.445 5.076 -3.787 1.00 0.00 C ATOM 73 CG2 VAL A 5 -2.871 3.949 -1.600 1.00 0.00 C ATOM 0 H VAL A 5 -3.455 5.807 -0.442 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.452 6.511 -3.182 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.167 3.873 -3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.844 4.225 -4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.912 5.538 -4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.806 5.805 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.268 3.100 -1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.234 4.677 -1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.643 3.606 -0.911 1.00 0.00 H new ATOM 83 N LYS A 6 -6.788 6.017 -2.364 1.00 0.00 N ATOM 84 CA LYS A 6 -8.172 5.590 -2.013 1.00 0.00 C ATOM 85 C LYS A 6 -8.517 4.310 -2.774 1.00 0.00 C ATOM 86 O LYS A 6 -8.390 4.240 -3.981 1.00 0.00 O ATOM 87 CB LYS A 6 -9.160 6.692 -2.400 1.00 0.00 C ATOM 88 CG LYS A 6 -9.750 7.315 -1.135 1.00 0.00 C ATOM 89 CD LYS A 6 -10.569 8.551 -1.511 1.00 0.00 C ATOM 90 CE LYS A 6 -9.844 9.807 -1.028 1.00 0.00 C ATOM 91 NZ LYS A 6 -10.416 11.002 -1.710 1.00 0.00 N ATOM 0 H LYS A 6 -6.723 6.877 -2.908 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.234 5.406 -0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.656 7.455 -2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.956 6.280 -3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.381 6.590 -0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.952 7.590 -0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.711 8.592 -2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.560 8.494 -1.061 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.947 9.907 0.052 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.778 9.729 -1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.924 11.858 -1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.295 10.906 -2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.429 11.078 -1.486 1.00 0.00 H new ATOM 105 N LEU A 7 -8.963 3.297 -2.083 1.00 0.00 N ATOM 106 CA LEU A 7 -9.324 2.030 -2.775 1.00 0.00 C ATOM 107 C LEU A 7 -10.834 1.999 -3.005 1.00 0.00 C ATOM 108 O LEU A 7 -11.550 2.895 -2.602 1.00 0.00 O ATOM 109 CB LEU A 7 -8.913 0.815 -1.933 1.00 0.00 C ATOM 110 CG LEU A 7 -8.806 1.186 -0.452 1.00 0.00 C ATOM 111 CD1 LEU A 7 -8.987 -0.073 0.398 1.00 0.00 C ATOM 112 CD2 LEU A 7 -7.426 1.788 -0.177 1.00 0.00 C ATOM 0 H LEU A 7 -9.092 3.293 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.796 1.987 -3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.644 0.016 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.956 0.431 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.578 1.913 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.911 0.187 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.967 -0.508 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.212 -0.797 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.348 2.053 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.655 1.059 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.291 2.682 -0.786 1.00 0.00 H new ATOM 124 N GLY A 8 -11.326 0.981 -3.652 1.00 0.00 N ATOM 125 CA GLY A 8 -12.791 0.906 -3.907 1.00 0.00 C ATOM 126 C GLY A 8 -13.224 2.133 -4.710 1.00 0.00 C ATOM 127 O GLY A 8 -13.633 3.135 -4.159 1.00 0.00 O ATOM 0 H GLY A 8 -10.780 0.200 -4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.031 -0.005 -4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.335 0.863 -2.963 1.00 0.00 H new ATOM 131 N SER A 9 -13.131 2.064 -6.010 1.00 0.00 N ATOM 132 CA SER A 9 -13.533 3.228 -6.849 1.00 0.00 C ATOM 133 C SER A 9 -14.868 3.783 -6.350 1.00 0.00 C ATOM 134 O SER A 9 -14.913 4.672 -5.523 1.00 0.00 O ATOM 135 CB SER A 9 -13.678 2.780 -8.304 1.00 0.00 C ATOM 136 OG SER A 9 -14.724 1.822 -8.397 1.00 0.00 O ATOM 0 H SER A 9 -12.794 1.252 -6.527 1.00 0.00 H new ATOM 0 HA SER A 9 -12.771 4.004 -6.781 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.896 3.637 -8.941 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.742 2.349 -8.659 1.00 0.00 H new ATOM 0 HG SER A 9 -14.433 0.979 -7.991 1.00 0.00 H new ATOM 142 N ASP A 10 -15.957 3.267 -6.849 1.00 0.00 N ATOM 143 CA ASP A 10 -17.289 3.766 -6.406 1.00 0.00 C ATOM 144 C ASP A 10 -18.385 3.001 -7.151 1.00 0.00 C ATOM 145 O ASP A 10 -19.336 2.528 -6.560 1.00 0.00 O ATOM 146 CB ASP A 10 -17.399 5.261 -6.718 1.00 0.00 C ATOM 147 CG ASP A 10 -18.855 5.711 -6.576 1.00 0.00 C ATOM 148 OD1 ASP A 10 -19.439 5.443 -5.539 1.00 0.00 O ATOM 149 OD2 ASP A 10 -19.359 6.318 -7.506 1.00 0.00 O ATOM 0 H ASP A 10 -15.982 2.521 -7.544 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.404 3.612 -5.333 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.764 5.832 -6.040 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.044 5.458 -7.729 1.00 0.00 H new ATOM 154 N LYS A 11 -18.256 2.871 -8.443 1.00 0.00 N ATOM 155 CA LYS A 11 -19.286 2.131 -9.225 1.00 0.00 C ATOM 156 C LYS A 11 -18.598 1.059 -10.073 1.00 0.00 C ATOM 157 O LYS A 11 -19.054 0.715 -11.145 1.00 0.00 O ATOM 158 CB LYS A 11 -20.034 3.103 -10.140 1.00 0.00 C ATOM 159 CG LYS A 11 -21.357 3.507 -9.485 1.00 0.00 C ATOM 160 CD LYS A 11 -21.423 5.031 -9.364 1.00 0.00 C ATOM 161 CE LYS A 11 -22.024 5.413 -8.010 1.00 0.00 C ATOM 162 NZ LYS A 11 -23.457 5.004 -7.968 1.00 0.00 N ATOM 0 H LYS A 11 -17.481 3.245 -8.991 1.00 0.00 H new ATOM 0 HA LYS A 11 -19.995 1.662 -8.543 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -19.423 3.987 -10.326 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -20.222 2.637 -11.107 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -22.195 3.142 -10.079 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -21.442 3.049 -8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -20.425 5.457 -9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -22.028 5.444 -10.171 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -21.472 4.927 -7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -21.937 6.488 -7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -23.905 5.396 -7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -23.946 5.364 -8.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -23.521 3.966 -7.947 1.00 0.00 H new ATOM 176 N GLY A 12 -17.501 0.531 -9.602 1.00 0.00 N ATOM 177 CA GLY A 12 -16.781 -0.516 -10.383 1.00 0.00 C ATOM 178 C GLY A 12 -16.287 -1.618 -9.442 1.00 0.00 C ATOM 179 O GLY A 12 -17.060 -2.398 -8.923 1.00 0.00 O ATOM 0 H GLY A 12 -17.072 0.779 -8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.444 -0.940 -11.138 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.938 -0.072 -10.912 1.00 0.00 H new ATOM 183 N LEU A 13 -15.001 -1.690 -9.221 1.00 0.00 N ATOM 184 CA LEU A 13 -14.457 -2.744 -8.316 1.00 0.00 C ATOM 185 C LEU A 13 -13.505 -2.108 -7.301 1.00 0.00 C ATOM 186 O LEU A 13 -13.599 -0.936 -6.993 1.00 0.00 O ATOM 187 CB LEU A 13 -13.693 -3.785 -9.139 1.00 0.00 C ATOM 188 CG LEU A 13 -14.510 -4.174 -10.370 1.00 0.00 C ATOM 189 CD1 LEU A 13 -13.645 -4.022 -11.623 1.00 0.00 C ATOM 190 CD2 LEU A 13 -14.964 -5.631 -10.240 1.00 0.00 C ATOM 0 H LEU A 13 -14.305 -1.065 -9.628 1.00 0.00 H new ATOM 0 HA LEU A 13 -15.282 -3.226 -7.792 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -12.727 -3.383 -9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -13.493 -4.667 -8.531 1.00 0.00 H new ATOM 0 HG LEU A 13 -15.383 -3.525 -10.448 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.226 -4.299 -12.502 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -13.318 -2.986 -11.716 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.774 -4.672 -11.545 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -15.547 -5.910 -11.118 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -14.091 -6.279 -10.164 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -15.578 -5.742 -9.346 1.00 0.00 H new ATOM 202 N LEU A 14 -12.586 -2.875 -6.779 1.00 0.00 N ATOM 203 CA LEU A 14 -11.623 -2.322 -5.785 1.00 0.00 C ATOM 204 C LEU A 14 -10.244 -2.191 -6.433 1.00 0.00 C ATOM 205 O LEU A 14 -9.649 -3.165 -6.850 1.00 0.00 O ATOM 206 CB LEU A 14 -11.533 -3.266 -4.584 1.00 0.00 C ATOM 207 CG LEU A 14 -12.889 -3.323 -3.878 1.00 0.00 C ATOM 208 CD1 LEU A 14 -13.129 -4.736 -3.344 1.00 0.00 C ATOM 209 CD2 LEU A 14 -12.899 -2.332 -2.713 1.00 0.00 C ATOM 0 H LEU A 14 -12.461 -3.863 -6.999 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.965 -1.342 -5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.240 -4.263 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.765 -2.920 -3.892 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.677 -3.063 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.095 -4.776 -2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.122 -5.444 -4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.341 -4.997 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.865 -2.372 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.111 -2.593 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.729 -1.324 -3.091 1.00 0.00 H new ATOM 221 N VAL A 15 -9.731 -0.995 -6.524 1.00 0.00 N ATOM 222 CA VAL A 15 -8.390 -0.807 -7.147 1.00 0.00 C ATOM 223 C VAL A 15 -7.659 0.341 -6.450 1.00 0.00 C ATOM 224 O VAL A 15 -8.263 1.183 -5.816 1.00 0.00 O ATOM 225 CB VAL A 15 -8.556 -0.476 -8.632 1.00 0.00 C ATOM 226 CG1 VAL A 15 -8.808 -1.762 -9.419 1.00 0.00 C ATOM 227 CG2 VAL A 15 -9.744 0.470 -8.814 1.00 0.00 C ATOM 0 H VAL A 15 -10.181 -0.141 -6.195 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.811 -1.725 -7.042 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.648 0.003 -8.999 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.926 -1.524 -10.476 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.963 -2.438 -9.291 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.715 -2.242 -9.052 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.863 0.706 -9.872 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.651 -0.010 -8.445 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.567 1.389 -8.255 1.00 0.00 H new ATOM 237 N PHE A 16 -6.361 0.381 -6.565 1.00 0.00 N ATOM 238 CA PHE A 16 -5.590 1.475 -5.913 1.00 0.00 C ATOM 239 C PHE A 16 -5.628 2.717 -6.802 1.00 0.00 C ATOM 240 O PHE A 16 -5.504 2.632 -8.008 1.00 0.00 O ATOM 241 CB PHE A 16 -4.139 1.030 -5.714 1.00 0.00 C ATOM 242 CG PHE A 16 -4.017 0.279 -4.411 1.00 0.00 C ATOM 243 CD1 PHE A 16 -4.143 0.962 -3.196 1.00 0.00 C ATOM 244 CD2 PHE A 16 -3.778 -1.100 -4.417 1.00 0.00 C ATOM 245 CE1 PHE A 16 -4.029 0.266 -1.987 1.00 0.00 C ATOM 246 CE2 PHE A 16 -3.664 -1.796 -3.208 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.790 -1.113 -1.993 1.00 0.00 C ATOM 0 H PHE A 16 -5.801 -0.297 -7.082 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.031 1.707 -4.944 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.825 0.395 -6.543 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.479 1.897 -5.709 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.328 2.026 -3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.682 -1.627 -5.355 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.125 0.793 -1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.479 -2.860 -3.213 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.703 -1.650 -1.060 1.00 0.00 H new ATOM 257 N GLU A 17 -5.801 3.871 -6.220 1.00 0.00 N ATOM 258 CA GLU A 17 -5.849 5.115 -7.036 1.00 0.00 C ATOM 259 C GLU A 17 -4.823 6.119 -6.494 1.00 0.00 C ATOM 260 O GLU A 17 -4.987 6.630 -5.403 1.00 0.00 O ATOM 261 CB GLU A 17 -7.249 5.727 -6.945 1.00 0.00 C ATOM 262 CG GLU A 17 -8.200 4.981 -7.883 1.00 0.00 C ATOM 263 CD GLU A 17 -9.628 5.483 -7.664 1.00 0.00 C ATOM 264 OE1 GLU A 17 -9.803 6.374 -6.848 1.00 0.00 O ATOM 265 OE2 GLU A 17 -10.523 4.970 -8.315 1.00 0.00 O ATOM 0 H GLU A 17 -5.911 4.006 -5.215 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.618 4.879 -8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.615 5.670 -5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.213 6.783 -7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.903 5.138 -8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.147 3.909 -7.695 1.00 0.00 H new ATOM 272 N PRO A 18 -3.795 6.378 -7.265 1.00 0.00 N ATOM 273 CA PRO A 18 -3.587 5.765 -8.589 1.00 0.00 C ATOM 274 C PRO A 18 -3.031 4.346 -8.442 1.00 0.00 C ATOM 275 O PRO A 18 -2.843 3.852 -7.347 1.00 0.00 O ATOM 276 CB PRO A 18 -2.555 6.683 -9.248 1.00 0.00 C ATOM 277 CG PRO A 18 -1.821 7.414 -8.104 1.00 0.00 C ATOM 278 CD PRO A 18 -2.735 7.326 -6.871 1.00 0.00 C ATOM 0 HA PRO A 18 -4.506 5.674 -9.167 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.854 6.107 -9.852 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.040 7.396 -9.915 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.855 6.950 -7.904 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.627 8.453 -8.369 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.189 6.971 -5.997 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.150 8.301 -6.614 1.00 0.00 H new ATOM 286 N ALA A 19 -2.762 3.690 -9.537 1.00 0.00 N ATOM 287 CA ALA A 19 -2.214 2.309 -9.463 1.00 0.00 C ATOM 288 C ALA A 19 -0.774 2.369 -8.949 1.00 0.00 C ATOM 289 O ALA A 19 -0.444 1.800 -7.928 1.00 0.00 O ATOM 290 CB ALA A 19 -2.234 1.676 -10.856 1.00 0.00 C ATOM 0 H ALA A 19 -2.899 4.052 -10.481 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.821 1.708 -8.786 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.832 0.664 -10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.259 1.640 -11.225 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.625 2.272 -11.535 1.00 0.00 H new ATOM 296 N LYS A 20 0.082 3.063 -9.646 1.00 0.00 N ATOM 297 CA LYS A 20 1.497 3.170 -9.197 1.00 0.00 C ATOM 298 C LYS A 20 1.687 4.504 -8.476 1.00 0.00 C ATOM 299 O LYS A 20 0.899 5.416 -8.630 1.00 0.00 O ATOM 300 CB LYS A 20 2.425 3.108 -10.412 1.00 0.00 C ATOM 301 CG LYS A 20 2.344 1.717 -11.043 1.00 0.00 C ATOM 302 CD LYS A 20 3.725 1.060 -11.010 1.00 0.00 C ATOM 303 CE LYS A 20 4.663 1.796 -11.969 1.00 0.00 C ATOM 304 NZ LYS A 20 5.188 0.838 -12.984 1.00 0.00 N ATOM 0 H LYS A 20 -0.138 3.561 -10.508 1.00 0.00 H new ATOM 0 HA LYS A 20 1.735 2.348 -8.522 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.140 3.867 -11.140 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.450 3.324 -10.112 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.624 1.102 -10.502 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.990 1.793 -12.071 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.128 1.087 -9.998 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.647 0.011 -11.294 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.131 2.610 -12.462 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.488 2.244 -11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.826 1.338 -13.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.710 0.076 -12.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.395 0.431 -13.520 1.00 0.00 H new ATOM 318 N LEU A 21 2.717 4.633 -7.685 1.00 0.00 N ATOM 319 CA LEU A 21 2.926 5.918 -6.963 1.00 0.00 C ATOM 320 C LEU A 21 4.404 6.097 -6.615 1.00 0.00 C ATOM 321 O LEU A 21 4.991 5.297 -5.913 1.00 0.00 O ATOM 322 CB LEU A 21 2.101 5.913 -5.676 1.00 0.00 C ATOM 323 CG LEU A 21 1.072 7.042 -5.727 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.075 6.878 -4.579 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.789 8.388 -5.590 1.00 0.00 C ATOM 0 H LEU A 21 3.416 3.911 -7.509 1.00 0.00 H new ATOM 0 HA LEU A 21 2.611 6.741 -7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.598 4.953 -5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.754 6.040 -4.812 1.00 0.00 H new ATOM 0 HG LEU A 21 0.539 7.006 -6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.658 7.684 -4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.434 5.919 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.606 6.914 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.057 9.195 -5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.320 8.422 -4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.500 8.506 -6.407 1.00 0.00 H new ATOM 337 N THR A 22 5.004 7.155 -7.088 1.00 0.00 N ATOM 338 CA THR A 22 6.436 7.404 -6.771 1.00 0.00 C ATOM 339 C THR A 22 6.505 8.292 -5.530 1.00 0.00 C ATOM 340 O THR A 22 6.187 9.464 -5.576 1.00 0.00 O ATOM 341 CB THR A 22 7.108 8.110 -7.950 1.00 0.00 C ATOM 342 OG1 THR A 22 7.168 7.223 -9.059 1.00 0.00 O ATOM 343 CG2 THR A 22 8.523 8.532 -7.553 1.00 0.00 C ATOM 0 H THR A 22 4.562 7.858 -7.681 1.00 0.00 H new ATOM 0 HA THR A 22 6.951 6.461 -6.586 1.00 0.00 H new ATOM 0 HB THR A 22 6.531 8.994 -8.223 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.597 7.674 -9.816 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.002 9.035 -8.393 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.475 9.212 -6.703 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.103 7.650 -7.280 1.00 0.00 H new ATOM 351 N ILE A 23 6.896 7.742 -4.415 1.00 0.00 N ATOM 352 CA ILE A 23 6.958 8.552 -3.172 1.00 0.00 C ATOM 353 C ILE A 23 8.403 8.873 -2.819 1.00 0.00 C ATOM 354 O ILE A 23 9.332 8.350 -3.401 1.00 0.00 O ATOM 355 CB ILE A 23 6.340 7.764 -2.019 1.00 0.00 C ATOM 356 CG1 ILE A 23 6.943 6.356 -1.986 1.00 0.00 C ATOM 357 CG2 ILE A 23 4.832 7.669 -2.222 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.503 6.065 -0.591 1.00 0.00 C ATOM 0 H ILE A 23 7.175 6.766 -4.313 1.00 0.00 H new ATOM 0 HA ILE A 23 6.409 9.480 -3.335 1.00 0.00 H new ATOM 0 HB ILE A 23 6.548 8.270 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.183 5.619 -2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.735 6.272 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.389 7.107 -1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.405 8.671 -2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.623 7.161 -3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.931 5.063 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.277 6.794 -0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.701 6.131 0.144 1.00 0.00 H new ATOM 370 N LYS A 24 8.593 9.720 -1.850 1.00 0.00 N ATOM 371 CA LYS A 24 9.971 10.067 -1.433 1.00 0.00 C ATOM 372 C LYS A 24 10.410 9.083 -0.348 1.00 0.00 C ATOM 373 O LYS A 24 9.613 8.302 0.132 1.00 0.00 O ATOM 374 CB LYS A 24 9.997 11.495 -0.884 1.00 0.00 C ATOM 375 CG LYS A 24 10.629 12.427 -1.918 1.00 0.00 C ATOM 376 CD LYS A 24 9.546 12.945 -2.865 1.00 0.00 C ATOM 377 CE LYS A 24 9.577 12.140 -4.165 1.00 0.00 C ATOM 378 NZ LYS A 24 8.275 12.292 -4.874 1.00 0.00 N ATOM 0 H LYS A 24 7.850 10.187 -1.329 1.00 0.00 H new ATOM 0 HA LYS A 24 10.649 10.007 -2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.985 11.825 -0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.564 11.528 0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.120 13.262 -1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.396 11.896 -2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.566 12.860 -2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.707 14.002 -3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.392 12.486 -4.800 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.766 11.088 -3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.295 11.745 -5.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.506 11.941 -4.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.113 13.296 -5.092 1.00 0.00 H new ATOM 392 N PRO A 25 11.665 9.143 0.003 1.00 0.00 N ATOM 393 CA PRO A 25 12.236 8.256 1.029 1.00 0.00 C ATOM 394 C PRO A 25 11.830 8.718 2.432 1.00 0.00 C ATOM 395 O PRO A 25 12.600 9.346 3.131 1.00 0.00 O ATOM 396 CB PRO A 25 13.748 8.394 0.820 1.00 0.00 C ATOM 397 CG PRO A 25 13.966 9.742 0.094 1.00 0.00 C ATOM 398 CD PRO A 25 12.629 10.096 -0.584 1.00 0.00 C ATOM 0 HA PRO A 25 11.890 7.226 0.944 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.275 8.377 1.774 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.135 7.566 0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.261 10.519 0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.765 9.661 -0.643 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.341 11.128 -0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.690 9.986 -1.667 1.00 0.00 H new ATOM 406 N GLY A 26 10.631 8.408 2.857 1.00 0.00 N ATOM 407 CA GLY A 26 10.205 8.834 4.222 1.00 0.00 C ATOM 408 C GLY A 26 8.773 9.371 4.191 1.00 0.00 C ATOM 409 O GLY A 26 8.092 9.395 5.197 1.00 0.00 O ATOM 0 H GLY A 26 9.937 7.884 2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.269 7.991 4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.880 9.603 4.597 1.00 0.00 H new ATOM 413 N ASP A 27 8.308 9.808 3.054 1.00 0.00 N ATOM 414 CA ASP A 27 6.920 10.345 2.983 1.00 0.00 C ATOM 415 C ASP A 27 5.965 9.391 3.703 1.00 0.00 C ATOM 416 O ASP A 27 6.340 8.309 4.109 1.00 0.00 O ATOM 417 CB ASP A 27 6.496 10.486 1.521 1.00 0.00 C ATOM 418 CG ASP A 27 7.251 11.653 0.883 1.00 0.00 C ATOM 419 OD1 ASP A 27 8.242 12.075 1.456 1.00 0.00 O ATOM 420 OD2 ASP A 27 6.825 12.106 -0.167 1.00 0.00 O ATOM 0 H ASP A 27 8.826 9.817 2.175 1.00 0.00 H new ATOM 0 HA ASP A 27 6.887 11.323 3.463 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.706 9.564 0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.421 10.656 1.457 1.00 0.00 H new ATOM 425 N THR A 28 4.732 9.786 3.864 1.00 0.00 N ATOM 426 CA THR A 28 3.751 8.912 4.557 1.00 0.00 C ATOM 427 C THR A 28 2.646 8.511 3.577 1.00 0.00 C ATOM 428 O THR A 28 1.944 9.347 3.044 1.00 0.00 O ATOM 429 CB THR A 28 3.138 9.671 5.736 1.00 0.00 C ATOM 430 OG1 THR A 28 4.117 10.529 6.305 1.00 0.00 O ATOM 431 CG2 THR A 28 2.654 8.677 6.791 1.00 0.00 C ATOM 0 H THR A 28 4.363 10.681 3.543 1.00 0.00 H new ATOM 0 HA THR A 28 4.254 8.017 4.923 1.00 0.00 H new ATOM 0 HB THR A 28 2.293 10.264 5.386 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.726 11.017 7.059 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.218 9.220 7.630 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.902 8.020 6.354 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.496 8.081 7.143 1.00 0.00 H new ATOM 439 N VAL A 29 2.487 7.239 3.333 1.00 0.00 N ATOM 440 CA VAL A 29 1.433 6.789 2.387 1.00 0.00 C ATOM 441 C VAL A 29 0.208 6.318 3.173 1.00 0.00 C ATOM 442 O VAL A 29 0.318 5.557 4.114 1.00 0.00 O ATOM 443 CB VAL A 29 1.967 5.635 1.539 1.00 0.00 C ATOM 444 CG1 VAL A 29 1.132 5.508 0.263 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.424 5.910 1.166 1.00 0.00 C ATOM 0 H VAL A 29 3.043 6.493 3.750 1.00 0.00 H new ATOM 0 HA VAL A 29 1.152 7.618 1.738 1.00 0.00 H new ATOM 0 HB VAL A 29 1.904 4.708 2.108 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.514 4.685 -0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.092 5.313 0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.194 6.435 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.806 5.088 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.485 6.838 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.021 6.001 2.073 1.00 0.00 H new ATOM 455 N GLU A 30 -0.960 6.760 2.794 1.00 0.00 N ATOM 456 CA GLU A 30 -2.185 6.334 3.517 1.00 0.00 C ATOM 457 C GLU A 30 -3.051 5.476 2.594 1.00 0.00 C ATOM 458 O GLU A 30 -3.153 5.725 1.409 1.00 0.00 O ATOM 459 CB GLU A 30 -2.977 7.564 3.964 1.00 0.00 C ATOM 460 CG GLU A 30 -3.842 7.200 5.174 1.00 0.00 C ATOM 461 CD GLU A 30 -4.152 8.463 5.980 1.00 0.00 C ATOM 462 OE1 GLU A 30 -3.248 9.260 6.167 1.00 0.00 O ATOM 463 OE2 GLU A 30 -5.289 8.610 6.398 1.00 0.00 O ATOM 0 H GLU A 30 -1.116 7.398 2.014 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.900 5.752 4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.296 8.375 4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.605 7.922 3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.769 6.730 4.844 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.323 6.475 5.800 1.00 0.00 H new ATOM 470 N PHE A 31 -3.678 4.467 3.131 1.00 0.00 N ATOM 471 CA PHE A 31 -4.542 3.586 2.293 1.00 0.00 C ATOM 472 C PHE A 31 -5.815 3.266 3.079 1.00 0.00 C ATOM 473 O PHE A 31 -5.841 2.361 3.887 1.00 0.00 O ATOM 474 CB PHE A 31 -3.804 2.277 1.962 1.00 0.00 C ATOM 475 CG PHE A 31 -2.326 2.414 2.268 1.00 0.00 C ATOM 476 CD1 PHE A 31 -1.892 2.483 3.598 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.393 2.472 1.225 1.00 0.00 C ATOM 478 CE1 PHE A 31 -0.528 2.611 3.884 1.00 0.00 C ATOM 479 CE2 PHE A 31 -0.028 2.599 1.512 1.00 0.00 C ATOM 480 CZ PHE A 31 0.404 2.669 2.842 1.00 0.00 C ATOM 0 H PHE A 31 -3.630 4.213 4.118 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.788 4.094 1.361 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.228 1.456 2.541 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.943 2.029 0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.610 2.437 4.403 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.726 2.419 0.199 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.195 2.665 4.910 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.691 2.643 0.708 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.456 2.768 3.064 1.00 0.00 H new ATOM 490 N LEU A 32 -6.865 4.012 2.864 1.00 0.00 N ATOM 491 CA LEU A 32 -8.120 3.759 3.620 1.00 0.00 C ATOM 492 C LEU A 32 -9.095 2.940 2.777 1.00 0.00 C ATOM 493 O LEU A 32 -8.988 2.869 1.569 1.00 0.00 O ATOM 494 CB LEU A 32 -8.770 5.093 3.995 1.00 0.00 C ATOM 495 CG LEU A 32 -9.041 5.904 2.727 1.00 0.00 C ATOM 496 CD1 LEU A 32 -10.551 6.018 2.506 1.00 0.00 C ATOM 497 CD2 LEU A 32 -8.443 7.305 2.880 1.00 0.00 C ATOM 0 H LEU A 32 -6.906 4.784 2.198 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.877 3.199 4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.702 4.917 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.116 5.652 4.664 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.585 5.404 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.744 6.596 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.979 5.021 2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.007 6.518 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.636 7.884 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.899 7.804 3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.367 7.226 3.038 1.00 0.00 H new ATOM 509 N ASN A 33 -10.045 2.315 3.418 1.00 0.00 N ATOM 510 CA ASN A 33 -11.035 1.489 2.679 1.00 0.00 C ATOM 511 C ASN A 33 -12.090 2.407 2.048 1.00 0.00 C ATOM 512 O ASN A 33 -11.985 3.616 2.105 1.00 0.00 O ATOM 513 CB ASN A 33 -11.692 0.506 3.664 1.00 0.00 C ATOM 514 CG ASN A 33 -12.954 1.100 4.280 1.00 0.00 C ATOM 515 OD1 ASN A 33 -13.093 2.302 4.393 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.878 0.292 4.694 1.00 0.00 N ATOM 0 H ASN A 33 -10.176 2.343 4.429 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.545 0.926 1.885 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.939 -0.421 3.146 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.985 0.251 4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.728 0.664 5.118 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.755 -0.716 4.596 1.00 0.00 H new ATOM 523 N ASN A 34 -13.110 1.846 1.462 1.00 0.00 N ATOM 524 CA ASN A 34 -14.171 2.694 0.849 1.00 0.00 C ATOM 525 C ASN A 34 -15.545 2.148 1.243 1.00 0.00 C ATOM 526 O ASN A 34 -16.083 2.487 2.278 1.00 0.00 O ATOM 527 CB ASN A 34 -14.028 2.684 -0.674 1.00 0.00 C ATOM 528 CG ASN A 34 -15.207 3.433 -1.302 1.00 0.00 C ATOM 529 OD1 ASN A 34 -15.660 3.055 -2.466 1.00 0.00 O flip ATOM 530 ND2 ASN A 34 -15.722 4.371 -0.725 1.00 0.00 N flip ATOM 0 H ASN A 34 -13.255 0.840 1.381 1.00 0.00 H new ATOM 0 HA ASN A 34 -14.069 3.718 1.208 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.088 3.154 -0.965 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.998 1.658 -1.041 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.368 4.667 0.185 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -16.508 4.862 -1.151 1.00 0.00 H new ATOM 537 N LYS A 35 -16.119 1.304 0.430 1.00 0.00 N ATOM 538 CA LYS A 35 -17.456 0.740 0.768 1.00 0.00 C ATOM 539 C LYS A 35 -17.481 -0.748 0.424 1.00 0.00 C ATOM 540 O LYS A 35 -18.482 -1.279 -0.013 1.00 0.00 O ATOM 541 CB LYS A 35 -18.535 1.467 -0.035 1.00 0.00 C ATOM 542 CG LYS A 35 -18.151 1.464 -1.516 1.00 0.00 C ATOM 543 CD LYS A 35 -18.812 2.651 -2.219 1.00 0.00 C ATOM 544 CE LYS A 35 -20.216 2.254 -2.679 1.00 0.00 C ATOM 545 NZ LYS A 35 -20.352 2.522 -4.139 1.00 0.00 N ATOM 0 H LYS A 35 -15.721 0.981 -0.452 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.647 0.871 1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -19.499 0.978 0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.643 2.491 0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -17.068 1.523 -1.621 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.466 0.531 -1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.867 3.504 -1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.212 2.961 -3.074 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -20.393 1.198 -2.474 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -20.966 2.817 -2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -21.162 1.989 -4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -20.505 3.539 -4.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -19.484 2.225 -4.629 1.00 0.00 H new ATOM 559 N VAL A 36 -16.384 -1.423 0.620 1.00 0.00 N ATOM 560 CA VAL A 36 -16.334 -2.881 0.308 1.00 0.00 C ATOM 561 C VAL A 36 -15.209 -3.528 1.124 1.00 0.00 C ATOM 562 O VAL A 36 -14.272 -4.065 0.568 1.00 0.00 O ATOM 563 CB VAL A 36 -16.062 -3.093 -1.190 1.00 0.00 C ATOM 564 CG1 VAL A 36 -16.983 -4.192 -1.722 1.00 0.00 C ATOM 565 CG2 VAL A 36 -16.328 -1.796 -1.965 1.00 0.00 C ATOM 0 H VAL A 36 -15.517 -1.028 0.984 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.291 -3.336 0.562 1.00 0.00 H new ATOM 0 HB VAL A 36 -15.020 -3.383 -1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -16.792 -4.344 -2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -16.792 -5.120 -1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.022 -3.897 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.132 -1.959 -3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.368 -1.498 -1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -15.674 -1.008 -1.592 1.00 0.00 H new ATOM 575 N PRO A 37 -15.334 -3.448 2.425 1.00 0.00 N ATOM 576 CA PRO A 37 -14.338 -4.009 3.355 1.00 0.00 C ATOM 577 C PRO A 37 -14.519 -5.521 3.506 1.00 0.00 C ATOM 578 O PRO A 37 -15.481 -6.084 3.022 1.00 0.00 O ATOM 579 CB PRO A 37 -14.649 -3.305 4.677 1.00 0.00 C ATOM 580 CG PRO A 37 -16.118 -2.831 4.587 1.00 0.00 C ATOM 581 CD PRO A 37 -16.479 -2.792 3.091 1.00 0.00 C ATOM 0 HA PRO A 37 -13.314 -3.858 3.014 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.511 -3.983 5.519 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.978 -2.461 4.834 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.778 -3.510 5.127 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -16.235 -1.846 5.039 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -17.411 -3.320 2.892 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.611 -1.769 2.740 1.00 0.00 H new ATOM 589 N PRO A 38 -13.594 -6.127 4.208 1.00 0.00 N ATOM 590 CA PRO A 38 -12.431 -5.429 4.790 1.00 0.00 C ATOM 591 C PRO A 38 -11.316 -5.306 3.751 1.00 0.00 C ATOM 592 O PRO A 38 -11.563 -5.357 2.566 1.00 0.00 O ATOM 593 CB PRO A 38 -12.002 -6.358 5.928 1.00 0.00 C ATOM 594 CG PRO A 38 -12.538 -7.767 5.569 1.00 0.00 C ATOM 595 CD PRO A 38 -13.641 -7.568 4.512 1.00 0.00 C ATOM 0 HA PRO A 38 -12.656 -4.416 5.125 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.917 -6.370 6.031 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.409 -6.019 6.881 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.738 -8.397 5.179 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.935 -8.266 6.453 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.453 -8.169 3.622 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.618 -7.863 4.895 1.00 0.00 H new ATOM 603 N HIS A 39 -10.091 -5.146 4.188 1.00 0.00 N ATOM 604 CA HIS A 39 -8.959 -5.035 3.223 1.00 0.00 C ATOM 605 C HIS A 39 -7.638 -5.317 3.941 1.00 0.00 C ATOM 606 O HIS A 39 -7.444 -4.935 5.077 1.00 0.00 O ATOM 607 CB HIS A 39 -8.926 -3.632 2.616 1.00 0.00 C ATOM 608 CG HIS A 39 -10.033 -3.515 1.609 1.00 0.00 C ATOM 609 ND1 HIS A 39 -9.931 -4.050 0.325 1.00 0.00 N ATOM 610 CD2 HIS A 39 -11.285 -2.961 1.693 1.00 0.00 C ATOM 611 CE1 HIS A 39 -11.103 -3.808 -0.295 1.00 0.00 C ATOM 612 NE2 HIS A 39 -11.952 -3.156 0.496 1.00 0.00 N ATOM 0 H HIS A 39 -9.828 -5.088 5.172 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.099 -5.765 2.426 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.045 -2.880 3.396 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.962 -3.449 2.141 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.687 -2.453 2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.326 -4.106 -1.309 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.901 -2.860 0.267 1.00 0.00 H new ATOM 620 N ASN A 40 -6.726 -5.981 3.283 1.00 0.00 N ATOM 621 CA ASN A 40 -5.415 -6.285 3.924 1.00 0.00 C ATOM 622 C ASN A 40 -4.298 -5.583 3.149 1.00 0.00 C ATOM 623 O ASN A 40 -4.140 -5.774 1.959 1.00 0.00 O ATOM 624 CB ASN A 40 -5.174 -7.795 3.909 1.00 0.00 C ATOM 625 CG ASN A 40 -6.103 -8.470 4.919 1.00 0.00 C ATOM 626 OD1 ASN A 40 -6.922 -9.291 4.555 1.00 0.00 O ATOM 627 ND2 ASN A 40 -6.011 -8.156 6.182 1.00 0.00 N ATOM 0 H ASN A 40 -6.833 -6.326 2.329 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.424 -5.931 4.955 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.355 -8.193 2.910 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.134 -8.010 4.155 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.626 -8.600 6.864 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.324 -7.467 6.487 1.00 0.00 H new ATOM 634 N VAL A 41 -3.524 -4.771 3.814 1.00 0.00 N ATOM 635 CA VAL A 41 -2.419 -4.054 3.118 1.00 0.00 C ATOM 636 C VAL A 41 -1.075 -4.616 3.584 1.00 0.00 C ATOM 637 O VAL A 41 -0.811 -4.713 4.766 1.00 0.00 O ATOM 638 CB VAL A 41 -2.492 -2.564 3.458 1.00 0.00 C ATOM 639 CG1 VAL A 41 -1.251 -1.853 2.919 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.742 -1.955 2.819 1.00 0.00 C ATOM 0 H VAL A 41 -3.609 -4.573 4.811 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.516 -4.190 2.041 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.539 -2.443 4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.305 -0.792 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.359 -2.284 3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.203 -1.975 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.794 -0.894 3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.694 -2.078 1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.629 -2.459 3.203 1.00 0.00 H new ATOM 650 N VAL A 42 -0.223 -4.988 2.668 1.00 0.00 N ATOM 651 CA VAL A 42 1.101 -5.542 3.071 1.00 0.00 C ATOM 652 C VAL A 42 2.131 -5.248 1.979 1.00 0.00 C ATOM 653 O VAL A 42 1.820 -4.670 0.957 1.00 0.00 O ATOM 654 CB VAL A 42 0.984 -7.057 3.276 1.00 0.00 C ATOM 655 CG1 VAL A 42 1.991 -7.511 4.336 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.432 -7.402 3.745 1.00 0.00 C ATOM 0 H VAL A 42 -0.385 -4.933 1.662 1.00 0.00 H new ATOM 0 HA VAL A 42 1.420 -5.077 4.004 1.00 0.00 H new ATOM 0 HB VAL A 42 1.192 -7.565 2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.906 -8.588 4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.001 -7.267 4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.783 -7.001 5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.515 -8.479 3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.638 -6.892 4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.153 -7.081 2.993 1.00 0.00 H new ATOM 666 N PHE A 43 3.359 -5.634 2.191 1.00 0.00 N ATOM 667 CA PHE A 43 4.411 -5.370 1.171 1.00 0.00 C ATOM 668 C PHE A 43 5.182 -6.661 0.885 1.00 0.00 C ATOM 669 O PHE A 43 5.763 -7.257 1.769 1.00 0.00 O ATOM 670 CB PHE A 43 5.372 -4.304 1.703 1.00 0.00 C ATOM 671 CG PHE A 43 4.578 -3.151 2.259 1.00 0.00 C ATOM 672 CD1 PHE A 43 3.983 -3.263 3.518 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.437 -1.973 1.518 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.248 -2.196 4.041 1.00 0.00 C ATOM 675 CE2 PHE A 43 3.699 -0.905 2.042 1.00 0.00 C ATOM 676 CZ PHE A 43 3.106 -1.018 3.304 1.00 0.00 C ATOM 0 H PHE A 43 3.679 -6.121 3.028 1.00 0.00 H new ATOM 0 HA PHE A 43 3.948 -5.017 0.250 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.011 -4.728 2.478 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.027 -3.957 0.904 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.091 -4.174 4.087 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.896 -1.888 0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.790 -2.282 5.015 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.588 0.006 1.472 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.538 -0.194 3.709 1.00 0.00 H new ATOM 686 N ASP A 44 5.189 -7.096 -0.346 1.00 0.00 N ATOM 687 CA ASP A 44 5.920 -8.348 -0.691 1.00 0.00 C ATOM 688 C ASP A 44 7.345 -8.273 -0.143 1.00 0.00 C ATOM 689 O ASP A 44 7.722 -7.320 0.508 1.00 0.00 O ATOM 690 CB ASP A 44 5.968 -8.509 -2.212 1.00 0.00 C ATOM 691 CG ASP A 44 5.992 -9.996 -2.570 1.00 0.00 C ATOM 692 OD1 ASP A 44 6.361 -10.786 -1.716 1.00 0.00 O ATOM 693 OD2 ASP A 44 5.639 -10.320 -3.692 1.00 0.00 O ATOM 0 H ASP A 44 4.720 -6.638 -1.127 1.00 0.00 H new ATOM 0 HA ASP A 44 5.405 -9.202 -0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.101 -8.029 -2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.853 -8.014 -2.613 1.00 0.00 H new ATOM 698 N ALA A 45 8.142 -9.272 -0.404 1.00 0.00 N ATOM 699 CA ALA A 45 9.537 -9.261 0.100 1.00 0.00 C ATOM 700 C ALA A 45 10.479 -9.765 -0.994 1.00 0.00 C ATOM 701 O ALA A 45 11.622 -10.091 -0.743 1.00 0.00 O ATOM 702 CB ALA A 45 9.641 -10.169 1.326 1.00 0.00 C ATOM 0 H ALA A 45 7.883 -10.096 -0.946 1.00 0.00 H new ATOM 0 HA ALA A 45 9.817 -8.245 0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.666 -10.162 1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.970 -9.807 2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.362 -11.186 1.050 1.00 0.00 H new ATOM 708 N ALA A 46 10.006 -9.835 -2.208 1.00 0.00 N ATOM 709 CA ALA A 46 10.873 -10.318 -3.318 1.00 0.00 C ATOM 710 C ALA A 46 10.606 -9.489 -4.576 1.00 0.00 C ATOM 711 O ALA A 46 10.981 -9.866 -5.669 1.00 0.00 O ATOM 712 CB ALA A 46 10.562 -11.789 -3.599 1.00 0.00 C ATOM 0 H ALA A 46 9.057 -9.578 -2.479 1.00 0.00 H new ATOM 0 HA ALA A 46 11.920 -10.214 -3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.195 -12.146 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.754 -12.379 -2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.515 -11.892 -3.883 1.00 0.00 H new ATOM 718 N LEU A 47 9.960 -8.363 -4.436 1.00 0.00 N ATOM 719 CA LEU A 47 9.673 -7.520 -5.630 1.00 0.00 C ATOM 720 C LEU A 47 10.380 -6.172 -5.488 1.00 0.00 C ATOM 721 O LEU A 47 9.876 -5.147 -5.903 1.00 0.00 O ATOM 722 CB LEU A 47 8.164 -7.297 -5.750 1.00 0.00 C ATOM 723 CG LEU A 47 7.590 -8.241 -6.808 1.00 0.00 C ATOM 724 CD1 LEU A 47 7.513 -9.660 -6.241 1.00 0.00 C ATOM 725 CD2 LEU A 47 6.185 -7.774 -7.197 1.00 0.00 C ATOM 0 H LEU A 47 9.620 -7.992 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 47 10.036 -8.026 -6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.682 -7.475 -4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.959 -6.262 -6.022 1.00 0.00 H new ATOM 0 HG LEU A 47 8.235 -8.235 -7.687 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.104 -10.332 -6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.512 -9.994 -5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.868 -9.666 -5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.774 -8.445 -7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.543 -7.781 -6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.236 -6.763 -7.601 1.00 0.00 H new ATOM 737 N ASN A 48 11.549 -6.167 -4.911 1.00 0.00 N ATOM 738 CA ASN A 48 12.296 -4.889 -4.748 1.00 0.00 C ATOM 739 C ASN A 48 13.728 -5.078 -5.257 1.00 0.00 C ATOM 740 O ASN A 48 14.223 -6.186 -5.309 1.00 0.00 O ATOM 741 CB ASN A 48 12.320 -4.488 -3.270 1.00 0.00 C ATOM 742 CG ASN A 48 12.699 -5.696 -2.412 1.00 0.00 C ATOM 743 OD1 ASN A 48 13.741 -5.708 -1.789 1.00 0.00 O ATOM 744 ND2 ASN A 48 11.889 -6.717 -2.347 1.00 0.00 N ATOM 0 H ASN A 48 12.020 -6.994 -4.545 1.00 0.00 H new ATOM 0 HA ASN A 48 11.805 -4.102 -5.320 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.036 -3.681 -3.114 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.343 -4.110 -2.970 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.131 -7.525 -1.773 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.013 -6.707 -2.870 1.00 0.00 H new ATOM 751 N PRO A 49 14.347 -3.988 -5.628 1.00 0.00 N ATOM 752 CA PRO A 49 15.725 -3.996 -6.152 1.00 0.00 C ATOM 753 C PRO A 49 16.747 -4.135 -5.018 1.00 0.00 C ATOM 754 O PRO A 49 17.941 -4.111 -5.246 1.00 0.00 O ATOM 755 CB PRO A 49 15.853 -2.634 -6.839 1.00 0.00 C ATOM 756 CG PRO A 49 14.785 -1.719 -6.199 1.00 0.00 C ATOM 757 CD PRO A 49 13.733 -2.646 -5.560 1.00 0.00 C ATOM 0 HA PRO A 49 15.917 -4.832 -6.824 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.852 -2.221 -6.699 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.693 -2.725 -7.913 1.00 0.00 H new ATOM 0 HG2 PRO A 49 15.233 -1.067 -5.449 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.328 -1.074 -6.950 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.519 -2.357 -4.531 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.789 -2.612 -6.103 1.00 0.00 H new ATOM 765 N ALA A 50 16.300 -4.278 -3.799 1.00 0.00 N ATOM 766 CA ALA A 50 17.269 -4.415 -2.673 1.00 0.00 C ATOM 767 C ALA A 50 16.769 -5.456 -1.674 1.00 0.00 C ATOM 768 O ALA A 50 17.059 -5.378 -0.499 1.00 0.00 O ATOM 769 CB ALA A 50 17.428 -3.067 -1.967 1.00 0.00 C ATOM 0 H ALA A 50 15.315 -4.306 -3.535 1.00 0.00 H new ATOM 0 HA ALA A 50 18.232 -4.736 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 50 18.136 -3.168 -1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 50 17.799 -2.327 -2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 50 16.463 -2.744 -1.577 1.00 0.00 H new ATOM 775 N LYS A 51 16.031 -6.428 -2.146 1.00 0.00 N ATOM 776 CA LYS A 51 15.493 -7.506 -1.250 1.00 0.00 C ATOM 777 C LYS A 51 15.247 -6.961 0.160 1.00 0.00 C ATOM 778 O LYS A 51 16.146 -6.891 0.974 1.00 0.00 O ATOM 779 CB LYS A 51 16.490 -8.667 -1.180 1.00 0.00 C ATOM 780 CG LYS A 51 17.902 -8.128 -0.944 1.00 0.00 C ATOM 781 CD LYS A 51 18.911 -9.269 -1.091 1.00 0.00 C ATOM 782 CE LYS A 51 18.666 -10.315 -0.001 1.00 0.00 C ATOM 783 NZ LYS A 51 18.725 -11.678 -0.600 1.00 0.00 N ATOM 0 H LYS A 51 15.773 -6.525 -3.128 1.00 0.00 H new ATOM 0 HA LYS A 51 14.547 -7.858 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 51 16.212 -9.348 -0.376 1.00 0.00 H new ATOM 0 HB3 LYS A 51 16.460 -9.240 -2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 51 18.125 -7.336 -1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.974 -7.689 0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 51 18.817 -9.727 -2.076 1.00 0.00 H new ATOM 0 HD3 LYS A 51 19.927 -8.881 -1.015 1.00 0.00 H new ATOM 0 HE2 LYS A 51 19.415 -10.219 0.785 1.00 0.00 H new ATOM 0 HE3 LYS A 51 17.693 -10.152 0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 18.559 -12.390 0.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 17.995 -11.766 -1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.663 -11.831 -1.023 1.00 0.00 H new ATOM 797 N SER A 52 14.038 -6.573 0.459 1.00 0.00 N ATOM 798 CA SER A 52 13.753 -6.028 1.817 1.00 0.00 C ATOM 799 C SER A 52 13.127 -7.114 2.693 1.00 0.00 C ATOM 800 O SER A 52 12.968 -8.246 2.283 1.00 0.00 O ATOM 801 CB SER A 52 12.786 -4.850 1.699 1.00 0.00 C ATOM 802 OG SER A 52 13.126 -4.076 0.556 1.00 0.00 O ATOM 0 H SER A 52 13.239 -6.609 -0.174 1.00 0.00 H new ATOM 0 HA SER A 52 14.685 -5.694 2.272 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.761 -5.213 1.615 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.834 -4.234 2.597 1.00 0.00 H new ATOM 0 HG SER A 52 13.261 -4.669 -0.212 1.00 0.00 H new ATOM 808 N ALA A 53 12.777 -6.773 3.903 1.00 0.00 N ATOM 809 CA ALA A 53 12.166 -7.776 4.819 1.00 0.00 C ATOM 810 C ALA A 53 12.073 -7.182 6.226 1.00 0.00 C ATOM 811 O ALA A 53 11.157 -7.467 6.972 1.00 0.00 O ATOM 812 CB ALA A 53 13.038 -9.034 4.854 1.00 0.00 C ATOM 0 H ALA A 53 12.889 -5.839 4.298 1.00 0.00 H new ATOM 0 HA ALA A 53 11.169 -8.036 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.591 -9.768 5.524 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.110 -9.455 3.851 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.035 -8.776 5.212 1.00 0.00 H new ATOM 818 N ASP A 54 13.016 -6.356 6.593 1.00 0.00 N ATOM 819 CA ASP A 54 12.986 -5.744 7.947 1.00 0.00 C ATOM 820 C ASP A 54 12.190 -4.438 7.900 1.00 0.00 C ATOM 821 O ASP A 54 11.759 -3.926 8.914 1.00 0.00 O ATOM 822 CB ASP A 54 14.416 -5.456 8.410 1.00 0.00 C ATOM 823 CG ASP A 54 15.097 -4.513 7.417 1.00 0.00 C ATOM 824 OD1 ASP A 54 15.142 -4.849 6.245 1.00 0.00 O ATOM 825 OD2 ASP A 54 15.564 -3.470 7.845 1.00 0.00 O ATOM 0 H ASP A 54 13.806 -6.080 6.010 1.00 0.00 H new ATOM 0 HA ASP A 54 12.511 -6.433 8.646 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.404 -5.007 9.403 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.978 -6.387 8.487 1.00 0.00 H new ATOM 830 N LEU A 55 11.989 -3.893 6.731 1.00 0.00 N ATOM 831 CA LEU A 55 11.219 -2.622 6.627 1.00 0.00 C ATOM 832 C LEU A 55 9.828 -2.912 6.055 1.00 0.00 C ATOM 833 O LEU A 55 8.878 -2.206 6.324 1.00 0.00 O ATOM 834 CB LEU A 55 11.977 -1.636 5.720 1.00 0.00 C ATOM 835 CG LEU A 55 11.580 -1.838 4.253 1.00 0.00 C ATOM 836 CD1 LEU A 55 10.400 -0.925 3.913 1.00 0.00 C ATOM 837 CD2 LEU A 55 12.766 -1.489 3.352 1.00 0.00 C ATOM 0 H LEU A 55 12.324 -4.272 5.845 1.00 0.00 H new ATOM 0 HA LEU A 55 11.107 -2.177 7.616 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.758 -0.612 6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.051 -1.780 5.835 1.00 0.00 H new ATOM 0 HG LEU A 55 11.294 -2.878 4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.118 -1.068 2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.554 -1.170 4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.687 0.115 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.485 -1.632 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.051 -0.449 3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.609 -2.137 3.593 1.00 0.00 H new ATOM 849 N ALA A 56 9.705 -3.944 5.264 1.00 0.00 N ATOM 850 CA ALA A 56 8.379 -4.275 4.670 1.00 0.00 C ATOM 851 C ALA A 56 7.591 -5.173 5.626 1.00 0.00 C ATOM 852 O ALA A 56 6.432 -5.462 5.403 1.00 0.00 O ATOM 853 CB ALA A 56 8.585 -5.004 3.341 1.00 0.00 C ATOM 0 H ALA A 56 10.466 -4.572 5.004 1.00 0.00 H new ATOM 0 HA ALA A 56 7.821 -3.354 4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.616 -5.247 2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.140 -4.363 2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.146 -5.923 3.513 1.00 0.00 H new ATOM 859 N LYS A 57 8.205 -5.617 6.688 1.00 0.00 N ATOM 860 CA LYS A 57 7.480 -6.494 7.649 1.00 0.00 C ATOM 861 C LYS A 57 6.597 -5.633 8.554 1.00 0.00 C ATOM 862 O LYS A 57 5.425 -5.900 8.731 1.00 0.00 O ATOM 863 CB LYS A 57 8.485 -7.265 8.507 1.00 0.00 C ATOM 864 CG LYS A 57 7.730 -8.091 9.551 1.00 0.00 C ATOM 865 CD LYS A 57 8.694 -9.062 10.237 1.00 0.00 C ATOM 866 CE LYS A 57 8.003 -10.413 10.436 1.00 0.00 C ATOM 867 NZ LYS A 57 8.634 -11.430 9.548 1.00 0.00 N ATOM 0 H LYS A 57 9.174 -5.411 6.931 1.00 0.00 H new ATOM 0 HA LYS A 57 6.862 -7.201 7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.091 -7.918 7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.168 -6.572 8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.275 -7.432 10.290 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.920 -8.643 9.075 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.592 -9.187 9.633 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.010 -8.658 11.199 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.083 -10.724 11.477 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.940 -10.327 10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.164 -12.348 9.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.536 -11.134 8.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.643 -11.519 9.784 1.00 0.00 H new ATOM 881 N SER A 58 7.151 -4.602 9.128 1.00 0.00 N ATOM 882 CA SER A 58 6.345 -3.725 10.022 1.00 0.00 C ATOM 883 C SER A 58 5.562 -2.717 9.180 1.00 0.00 C ATOM 884 O SER A 58 4.565 -2.175 9.614 1.00 0.00 O ATOM 885 CB SER A 58 7.273 -2.973 10.976 1.00 0.00 C ATOM 886 OG SER A 58 6.556 -2.631 12.154 1.00 0.00 O ATOM 0 H SER A 58 8.127 -4.329 9.017 1.00 0.00 H new ATOM 0 HA SER A 58 5.651 -4.338 10.597 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.134 -3.592 11.227 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.656 -2.073 10.495 1.00 0.00 H new ATOM 0 HG SER A 58 7.148 -2.150 12.769 1.00 0.00 H new ATOM 892 N LEU A 59 6.004 -2.458 7.981 1.00 0.00 N ATOM 893 CA LEU A 59 5.280 -1.480 7.122 1.00 0.00 C ATOM 894 C LEU A 59 3.806 -1.884 7.048 1.00 0.00 C ATOM 895 O LEU A 59 2.928 -1.052 6.940 1.00 0.00 O ATOM 896 CB LEU A 59 5.884 -1.486 5.715 1.00 0.00 C ATOM 897 CG LEU A 59 5.786 -0.090 5.097 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.525 0.919 5.983 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.440 -0.106 3.714 1.00 0.00 C ATOM 0 H LEU A 59 6.832 -2.879 7.560 1.00 0.00 H new ATOM 0 HA LEU A 59 5.370 -0.479 7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.927 -1.801 5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.360 -2.208 5.088 1.00 0.00 H new ATOM 0 HG LEU A 59 4.737 0.195 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.454 1.913 5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.074 0.931 6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.574 0.632 6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.373 0.887 3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.488 -0.391 3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.926 -0.825 3.077 1.00 0.00 H new ATOM 911 N SER A 60 3.530 -3.160 7.103 1.00 0.00 N ATOM 912 CA SER A 60 2.113 -3.623 7.032 1.00 0.00 C ATOM 913 C SER A 60 1.439 -3.436 8.394 1.00 0.00 C ATOM 914 O SER A 60 1.938 -3.879 9.410 1.00 0.00 O ATOM 915 CB SER A 60 2.084 -5.108 6.666 1.00 0.00 C ATOM 916 OG SER A 60 3.399 -5.539 6.343 1.00 0.00 O ATOM 0 H SER A 60 4.224 -3.902 7.194 1.00 0.00 H new ATOM 0 HA SER A 60 1.583 -3.041 6.278 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.692 -5.692 7.499 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.417 -5.273 5.820 1.00 0.00 H new ATOM 0 HG SER A 60 3.499 -6.486 6.573 1.00 0.00 H new ATOM 922 N HIS A 61 0.305 -2.788 8.425 1.00 0.00 N ATOM 923 CA HIS A 61 -0.396 -2.584 9.725 1.00 0.00 C ATOM 924 C HIS A 61 -1.014 -3.911 10.173 1.00 0.00 C ATOM 925 O HIS A 61 -1.169 -4.169 11.350 1.00 0.00 O ATOM 926 CB HIS A 61 -1.491 -1.519 9.569 1.00 0.00 C ATOM 927 CG HIS A 61 -2.543 -1.988 8.598 1.00 0.00 C ATOM 928 ND1 HIS A 61 -3.308 -3.126 8.826 1.00 0.00 N ATOM 929 CD2 HIS A 61 -2.978 -1.475 7.398 1.00 0.00 C ATOM 930 CE1 HIS A 61 -4.149 -3.258 7.783 1.00 0.00 C ATOM 931 NE2 HIS A 61 -3.987 -2.281 6.891 1.00 0.00 N ATOM 0 H HIS A 61 -0.164 -2.393 7.610 1.00 0.00 H new ATOM 0 HA HIS A 61 0.317 -2.242 10.475 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.947 -1.312 10.537 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.052 -0.585 9.217 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.594 -0.584 6.924 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.867 -4.058 7.681 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -4.498 -2.153 6.018 1.00 0.00 H new ATOM 939 N LYS A 62 -1.358 -4.756 9.238 1.00 0.00 N ATOM 940 CA LYS A 62 -1.961 -6.077 9.590 1.00 0.00 C ATOM 941 C LYS A 62 -3.214 -5.870 10.441 1.00 0.00 C ATOM 942 O LYS A 62 -3.158 -5.327 11.526 1.00 0.00 O ATOM 943 CB LYS A 62 -0.961 -6.919 10.382 1.00 0.00 C ATOM 944 CG LYS A 62 0.456 -6.720 9.831 1.00 0.00 C ATOM 945 CD LYS A 62 1.414 -6.423 10.987 1.00 0.00 C ATOM 946 CE LYS A 62 1.945 -7.738 11.560 1.00 0.00 C ATOM 947 NZ LYS A 62 3.302 -7.519 12.137 1.00 0.00 N ATOM 0 H LYS A 62 -1.247 -4.588 8.238 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.223 -6.593 8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.992 -6.638 11.435 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.236 -7.972 10.325 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.779 -7.614 9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.467 -5.899 9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.242 -5.806 10.638 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.899 -5.857 11.764 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.268 -8.112 12.328 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.989 -8.496 10.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.662 -8.414 12.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.945 -7.181 11.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.247 -6.809 12.895 1.00 0.00 H new ATOM 961 N GLN A 63 -4.342 -6.311 9.958 1.00 0.00 N ATOM 962 CA GLN A 63 -5.606 -6.151 10.732 1.00 0.00 C ATOM 963 C GLN A 63 -6.803 -6.288 9.787 1.00 0.00 C ATOM 964 O GLN A 63 -6.654 -6.306 8.581 1.00 0.00 O ATOM 965 CB GLN A 63 -5.636 -4.768 11.384 1.00 0.00 C ATOM 966 CG GLN A 63 -5.462 -4.911 12.897 1.00 0.00 C ATOM 967 CD GLN A 63 -4.893 -3.613 13.472 1.00 0.00 C ATOM 968 OE1 GLN A 63 -5.511 -2.571 13.379 1.00 0.00 O ATOM 969 NE2 GLN A 63 -3.732 -3.632 14.068 1.00 0.00 N ATOM 0 H GLN A 63 -4.444 -6.777 9.057 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.657 -6.920 11.503 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.842 -4.144 10.974 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.580 -4.270 11.162 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.420 -5.138 13.364 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.794 -5.743 13.120 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.213 -4.507 14.146 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.344 -2.772 14.456 1.00 0.00 H new ATOM 978 N LEU A 64 -7.991 -6.378 10.323 1.00 0.00 N ATOM 979 CA LEU A 64 -9.195 -6.505 9.453 1.00 0.00 C ATOM 980 C LEU A 64 -9.909 -5.154 9.381 1.00 0.00 C ATOM 981 O LEU A 64 -10.279 -4.584 10.388 1.00 0.00 O ATOM 982 CB LEU A 64 -10.145 -7.552 10.040 1.00 0.00 C ATOM 983 CG LEU A 64 -9.609 -8.955 9.750 1.00 0.00 C ATOM 984 CD1 LEU A 64 -8.985 -9.538 11.020 1.00 0.00 C ATOM 985 CD2 LEU A 64 -10.758 -9.856 9.293 1.00 0.00 C ATOM 0 H LEU A 64 -8.179 -6.369 11.325 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.891 -6.814 8.453 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.244 -7.405 11.116 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.140 -7.436 9.610 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.854 -8.898 8.966 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.603 -10.538 10.812 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.166 -8.898 11.350 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.740 -9.594 11.804 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.376 -10.856 9.086 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.512 -9.911 10.078 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.206 -9.444 8.388 1.00 0.00 H new ATOM 997 N LEU A 65 -10.104 -4.635 8.199 1.00 0.00 N ATOM 998 CA LEU A 65 -10.792 -3.319 8.069 1.00 0.00 C ATOM 999 C LEU A 65 -12.310 -3.530 8.077 1.00 0.00 C ATOM 1000 O LEU A 65 -12.946 -3.572 7.044 1.00 0.00 O ATOM 1001 CB LEU A 65 -10.373 -2.657 6.754 1.00 0.00 C ATOM 1002 CG LEU A 65 -9.140 -1.783 6.992 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -8.023 -2.623 7.612 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -8.658 -1.206 5.658 1.00 0.00 C ATOM 0 H LEU A 65 -9.817 -5.065 7.319 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.514 -2.678 8.905 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.153 -3.418 6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.191 -2.052 6.363 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.401 -0.971 7.670 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.147 -1.997 7.780 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.362 -3.035 8.563 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.762 -3.438 6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.780 -0.583 5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.400 -2.021 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.450 -0.603 5.215 1.00 0.00 H new ATOM 1016 N MET A 66 -12.895 -3.666 9.237 1.00 0.00 N ATOM 1017 CA MET A 66 -14.371 -3.878 9.309 1.00 0.00 C ATOM 1018 C MET A 66 -15.080 -2.534 9.499 1.00 0.00 C ATOM 1019 O MET A 66 -16.287 -2.473 9.634 1.00 0.00 O ATOM 1020 CB MET A 66 -14.696 -4.796 10.488 1.00 0.00 C ATOM 1021 CG MET A 66 -14.654 -6.254 10.027 1.00 0.00 C ATOM 1022 SD MET A 66 -15.450 -7.307 11.266 1.00 0.00 S ATOM 1023 CE MET A 66 -17.126 -6.645 11.093 1.00 0.00 C ATOM 0 H MET A 66 -12.416 -3.640 10.137 1.00 0.00 H new ATOM 0 HA MET A 66 -14.714 -4.337 8.382 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.979 -4.638 11.294 1.00 0.00 H new ATOM 0 HB3 MET A 66 -15.682 -4.558 10.887 1.00 0.00 H new ATOM 0 HG2 MET A 66 -15.161 -6.357 9.068 1.00 0.00 H new ATOM 0 HG3 MET A 66 -13.621 -6.569 9.877 1.00 0.00 H new ATOM 0 HE1 MET A 66 -17.851 -7.431 11.304 1.00 0.00 H new ATOM 0 HE2 MET A 66 -17.267 -5.823 11.795 1.00 0.00 H new ATOM 0 HE3 MET A 66 -17.270 -6.282 10.076 1.00 0.00 H new ATOM 1033 N SER A 67 -14.345 -1.457 9.513 1.00 0.00 N ATOM 1034 CA SER A 67 -14.981 -0.122 9.696 1.00 0.00 C ATOM 1035 C SER A 67 -14.767 0.713 8.429 1.00 0.00 C ATOM 1036 O SER A 67 -13.801 0.518 7.720 1.00 0.00 O ATOM 1037 CB SER A 67 -14.336 0.583 10.890 1.00 0.00 C ATOM 1038 OG SER A 67 -15.291 1.436 11.508 1.00 0.00 O ATOM 0 H SER A 67 -13.331 -1.443 9.406 1.00 0.00 H new ATOM 0 HA SER A 67 -16.049 -0.241 9.878 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.971 -0.153 11.607 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.473 1.163 10.561 1.00 0.00 H new ATOM 0 HG SER A 67 -14.879 1.887 12.274 1.00 0.00 H new ATOM 1044 N PRO A 68 -15.675 1.623 8.185 1.00 0.00 N ATOM 1045 CA PRO A 68 -15.610 2.507 7.010 1.00 0.00 C ATOM 1046 C PRO A 68 -14.562 3.600 7.230 1.00 0.00 C ATOM 1047 O PRO A 68 -14.795 4.563 7.933 1.00 0.00 O ATOM 1048 CB PRO A 68 -17.022 3.093 6.920 1.00 0.00 C ATOM 1049 CG PRO A 68 -17.639 2.961 8.332 1.00 0.00 C ATOM 1050 CD PRO A 68 -16.846 1.858 9.056 1.00 0.00 C ATOM 0 HA PRO A 68 -15.318 1.992 6.094 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.990 4.136 6.606 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.619 2.556 6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -17.573 3.905 8.874 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -18.696 2.702 8.271 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -16.543 2.175 10.054 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.441 0.953 9.176 1.00 0.00 H new ATOM 1058 N GLY A 69 -13.404 3.458 6.638 1.00 0.00 N ATOM 1059 CA GLY A 69 -12.346 4.490 6.825 1.00 0.00 C ATOM 1060 C GLY A 69 -11.212 3.912 7.675 1.00 0.00 C ATOM 1061 O GLY A 69 -10.077 4.335 7.582 1.00 0.00 O ATOM 0 H GLY A 69 -13.148 2.675 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.962 4.811 5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.765 5.372 7.310 1.00 0.00 H new ATOM 1065 N GLN A 70 -11.510 2.946 8.502 1.00 0.00 N ATOM 1066 CA GLN A 70 -10.445 2.343 9.353 1.00 0.00 C ATOM 1067 C GLN A 70 -9.238 2.009 8.477 1.00 0.00 C ATOM 1068 O GLN A 70 -9.277 1.101 7.674 1.00 0.00 O ATOM 1069 CB GLN A 70 -10.974 1.062 10.004 1.00 0.00 C ATOM 1070 CG GLN A 70 -11.154 1.289 11.507 1.00 0.00 C ATOM 1071 CD GLN A 70 -9.950 0.719 12.260 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -10.086 -0.209 13.034 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -8.770 1.239 12.067 1.00 0.00 N ATOM 0 H GLN A 70 -12.442 2.550 8.625 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.152 3.048 10.132 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.924 0.778 9.552 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.280 0.240 9.830 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.254 2.354 11.715 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.071 0.809 11.850 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.656 2.017 11.418 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.961 0.867 12.565 1.00 0.00 H new ATOM 1082 N SER A 71 -8.168 2.740 8.615 1.00 0.00 N ATOM 1083 CA SER A 71 -6.971 2.457 7.776 1.00 0.00 C ATOM 1084 C SER A 71 -5.699 2.614 8.607 1.00 0.00 C ATOM 1085 O SER A 71 -5.721 2.572 9.821 1.00 0.00 O ATOM 1086 CB SER A 71 -6.922 3.443 6.613 1.00 0.00 C ATOM 1087 OG SER A 71 -6.233 4.618 7.021 1.00 0.00 O ATOM 0 H SER A 71 -8.070 3.517 9.269 1.00 0.00 H new ATOM 0 HA SER A 71 -7.037 1.436 7.401 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.418 2.991 5.759 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.933 3.694 6.291 1.00 0.00 H new ATOM 0 HG SER A 71 -6.199 5.253 6.275 1.00 0.00 H new ATOM 1093 N THR A 72 -4.589 2.805 7.948 1.00 0.00 N ATOM 1094 CA THR A 72 -3.300 2.979 8.671 1.00 0.00 C ATOM 1095 C THR A 72 -2.322 3.730 7.762 1.00 0.00 C ATOM 1096 O THR A 72 -1.888 3.220 6.747 1.00 0.00 O ATOM 1097 CB THR A 72 -2.729 1.604 9.031 1.00 0.00 C ATOM 1098 OG1 THR A 72 -3.451 1.070 10.131 1.00 0.00 O ATOM 1099 CG2 THR A 72 -1.252 1.737 9.406 1.00 0.00 C ATOM 0 H THR A 72 -4.521 2.848 6.931 1.00 0.00 H new ATOM 0 HA THR A 72 -3.457 3.548 9.587 1.00 0.00 H new ATOM 0 HB THR A 72 -2.821 0.938 8.173 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.263 1.598 10.277 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.852 0.756 9.661 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.698 2.147 8.562 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.153 2.403 10.263 1.00 0.00 H new ATOM 1107 N SER A 73 -1.974 4.940 8.112 1.00 0.00 N ATOM 1108 CA SER A 73 -1.031 5.717 7.259 1.00 0.00 C ATOM 1109 C SER A 73 0.399 5.250 7.532 1.00 0.00 C ATOM 1110 O SER A 73 1.163 5.908 8.209 1.00 0.00 O ATOM 1111 CB SER A 73 -1.155 7.207 7.579 1.00 0.00 C ATOM 1112 OG SER A 73 -1.140 7.389 8.988 1.00 0.00 O ATOM 0 H SER A 73 -2.301 5.422 8.949 1.00 0.00 H new ATOM 0 HA SER A 73 -1.273 5.556 6.209 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.334 7.758 7.121 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.079 7.605 7.159 1.00 0.00 H new ATOM 0 HG SER A 73 -0.319 7.004 9.359 1.00 0.00 H new ATOM 1118 N THR A 74 0.759 4.112 7.009 1.00 0.00 N ATOM 1119 CA THR A 74 2.132 3.584 7.231 1.00 0.00 C ATOM 1120 C THR A 74 3.165 4.658 6.890 1.00 0.00 C ATOM 1121 O THR A 74 3.350 5.015 5.744 1.00 0.00 O ATOM 1122 CB THR A 74 2.359 2.363 6.337 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.465 1.328 6.721 1.00 0.00 O ATOM 1124 CG2 THR A 74 3.800 1.880 6.494 1.00 0.00 C ATOM 0 H THR A 74 0.157 3.522 6.434 1.00 0.00 H new ATOM 0 HA THR A 74 2.240 3.300 8.278 1.00 0.00 H new ATOM 0 HB THR A 74 2.179 2.631 5.296 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.957 0.484 6.802 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.964 1.010 5.858 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.485 2.677 6.203 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.981 1.608 7.534 1.00 0.00 H new ATOM 1132 N THR A 75 3.846 5.169 7.878 1.00 0.00 N ATOM 1133 CA THR A 75 4.875 6.209 7.616 1.00 0.00 C ATOM 1134 C THR A 75 6.159 5.531 7.137 1.00 0.00 C ATOM 1135 O THR A 75 6.995 5.134 7.924 1.00 0.00 O ATOM 1136 CB THR A 75 5.156 6.985 8.904 1.00 0.00 C ATOM 1137 OG1 THR A 75 3.968 7.638 9.329 1.00 0.00 O ATOM 1138 CG2 THR A 75 6.249 8.023 8.646 1.00 0.00 C ATOM 0 H THR A 75 3.732 4.909 8.858 1.00 0.00 H new ATOM 0 HA THR A 75 4.516 6.898 6.852 1.00 0.00 H new ATOM 0 HB THR A 75 5.489 6.296 9.680 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.145 8.134 10.155 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.449 8.576 9.564 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.159 7.520 8.320 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.919 8.714 7.871 1.00 0.00 H new ATOM 1146 N PHE A 76 6.317 5.391 5.852 1.00 0.00 N ATOM 1147 CA PHE A 76 7.540 4.735 5.315 1.00 0.00 C ATOM 1148 C PHE A 76 8.772 5.278 6.047 1.00 0.00 C ATOM 1149 O PHE A 76 8.693 6.284 6.722 1.00 0.00 O ATOM 1150 CB PHE A 76 7.646 5.024 3.817 1.00 0.00 C ATOM 1151 CG PHE A 76 6.820 4.012 3.057 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.426 3.988 3.205 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.447 3.095 2.205 1.00 0.00 C ATOM 1154 CE1 PHE A 76 4.664 3.049 2.503 1.00 0.00 C ATOM 1155 CE2 PHE A 76 6.683 2.156 1.503 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.291 2.135 1.652 1.00 0.00 C ATOM 0 H PHE A 76 5.649 5.704 5.147 1.00 0.00 H new ATOM 0 HA PHE A 76 7.484 3.657 5.469 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.294 6.033 3.603 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.687 4.975 3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.941 4.695 3.861 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.521 3.112 2.089 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.590 3.030 2.619 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.167 1.448 0.847 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.701 1.412 1.109 1.00 0.00 H new ATOM 1166 N PRO A 77 9.874 4.586 5.899 1.00 0.00 N ATOM 1167 CA PRO A 77 11.143 4.967 6.546 1.00 0.00 C ATOM 1168 C PRO A 77 11.796 6.155 5.836 1.00 0.00 C ATOM 1169 O PRO A 77 11.570 6.400 4.667 1.00 0.00 O ATOM 1170 CB PRO A 77 12.005 3.710 6.423 1.00 0.00 C ATOM 1171 CG PRO A 77 11.414 2.887 5.254 1.00 0.00 C ATOM 1172 CD PRO A 77 9.961 3.362 5.072 1.00 0.00 C ATOM 0 HA PRO A 77 11.007 5.287 7.579 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.045 3.970 6.228 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.989 3.136 7.349 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.989 3.042 4.341 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.448 1.820 5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.738 3.571 4.026 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.250 2.605 5.404 1.00 0.00 H new ATOM 1180 N ALA A 78 12.609 6.890 6.544 1.00 0.00 N ATOM 1181 CA ALA A 78 13.289 8.069 5.934 1.00 0.00 C ATOM 1182 C ALA A 78 14.306 7.599 4.892 1.00 0.00 C ATOM 1183 O ALA A 78 14.892 8.392 4.181 1.00 0.00 O ATOM 1184 CB ALA A 78 14.008 8.860 7.028 1.00 0.00 C ATOM 0 H ALA A 78 12.833 6.724 7.525 1.00 0.00 H new ATOM 0 HA ALA A 78 12.547 8.704 5.450 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.506 9.723 6.586 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.283 9.200 7.768 1.00 0.00 H new ATOM 0 HB3 ALA A 78 14.748 8.222 7.512 1.00 0.00 H new ATOM 1190 N ASP A 79 14.518 6.316 4.791 1.00 0.00 N ATOM 1191 CA ASP A 79 15.495 5.802 3.788 1.00 0.00 C ATOM 1192 C ASP A 79 14.737 5.299 2.560 1.00 0.00 C ATOM 1193 O ASP A 79 14.841 5.854 1.484 1.00 0.00 O ATOM 1194 CB ASP A 79 16.313 4.654 4.391 1.00 0.00 C ATOM 1195 CG ASP A 79 15.466 3.888 5.410 1.00 0.00 C ATOM 1196 OD1 ASP A 79 15.342 4.365 6.526 1.00 0.00 O ATOM 1197 OD2 ASP A 79 14.957 2.838 5.057 1.00 0.00 O ATOM 0 H ASP A 79 14.059 5.602 5.357 1.00 0.00 H new ATOM 0 HA ASP A 79 16.172 6.606 3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.646 3.980 3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.208 5.048 4.872 1.00 0.00 H new ATOM 1202 N ALA A 80 13.974 4.252 2.714 1.00 0.00 N ATOM 1203 CA ALA A 80 13.205 3.709 1.559 1.00 0.00 C ATOM 1204 C ALA A 80 14.091 3.702 0.310 1.00 0.00 C ATOM 1205 O ALA A 80 13.825 4.410 -0.640 1.00 0.00 O ATOM 1206 CB ALA A 80 11.977 4.586 1.308 1.00 0.00 C ATOM 0 H ALA A 80 13.850 3.748 3.592 1.00 0.00 H new ATOM 0 HA ALA A 80 12.886 2.691 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.414 4.190 0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.345 4.590 2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.296 5.604 1.086 1.00 0.00 H new ATOM 1212 N PRO A 81 15.118 2.895 0.348 1.00 0.00 N ATOM 1213 CA PRO A 81 16.063 2.769 -0.773 1.00 0.00 C ATOM 1214 C PRO A 81 15.437 1.935 -1.890 1.00 0.00 C ATOM 1215 O PRO A 81 14.233 1.789 -1.964 1.00 0.00 O ATOM 1216 CB PRO A 81 17.268 2.057 -0.152 1.00 0.00 C ATOM 1217 CG PRO A 81 16.741 1.328 1.108 1.00 0.00 C ATOM 1218 CD PRO A 81 15.429 2.031 1.505 1.00 0.00 C ATOM 0 HA PRO A 81 16.336 3.723 -1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.706 1.349 -0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.049 2.771 0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.568 0.272 0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 81 17.469 1.379 1.918 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.632 1.311 1.691 1.00 0.00 H new ATOM 0 HD3 PRO A 81 15.550 2.615 2.417 1.00 0.00 H new ATOM 1226 N ALA A 82 16.235 1.388 -2.761 1.00 0.00 N ATOM 1227 CA ALA A 82 15.667 0.570 -3.866 1.00 0.00 C ATOM 1228 C ALA A 82 14.924 1.487 -4.840 1.00 0.00 C ATOM 1229 O ALA A 82 15.467 1.923 -5.835 1.00 0.00 O ATOM 1230 CB ALA A 82 14.692 -0.457 -3.284 1.00 0.00 C ATOM 0 H ALA A 82 17.252 1.471 -2.756 1.00 0.00 H new ATOM 0 HA ALA A 82 16.469 0.052 -4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 82 14.273 -1.059 -4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.220 -1.105 -2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.887 0.061 -2.762 1.00 0.00 H new ATOM 1236 N GLY A 83 13.686 1.785 -4.557 1.00 0.00 N ATOM 1237 CA GLY A 83 12.907 2.675 -5.460 1.00 0.00 C ATOM 1238 C GLY A 83 11.734 1.897 -6.055 1.00 0.00 C ATOM 1239 O GLY A 83 11.176 2.277 -7.065 1.00 0.00 O ATOM 0 H GLY A 83 13.180 1.449 -3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.540 3.540 -4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.548 3.053 -6.257 1.00 0.00 H new ATOM 1243 N GLU A 84 11.353 0.808 -5.441 1.00 0.00 N ATOM 1244 CA GLU A 84 10.216 0.016 -5.986 1.00 0.00 C ATOM 1245 C GLU A 84 9.631 -0.889 -4.898 1.00 0.00 C ATOM 1246 O GLU A 84 10.111 -1.979 -4.657 1.00 0.00 O ATOM 1247 CB GLU A 84 10.707 -0.843 -7.153 1.00 0.00 C ATOM 1248 CG GLU A 84 10.394 -0.135 -8.472 1.00 0.00 C ATOM 1249 CD GLU A 84 10.485 -1.136 -9.625 1.00 0.00 C ATOM 1250 OE1 GLU A 84 11.450 -1.882 -9.661 1.00 0.00 O ATOM 1251 OE2 GLU A 84 9.590 -1.139 -10.454 1.00 0.00 O ATOM 0 H GLU A 84 11.778 0.436 -4.591 1.00 0.00 H new ATOM 0 HA GLU A 84 9.441 0.700 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.780 -1.016 -7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.224 -1.820 -7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.396 0.302 -8.434 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.095 0.684 -8.632 1.00 0.00 H new ATOM 1258 N TYR A 85 8.582 -0.455 -4.254 1.00 0.00 N ATOM 1259 CA TYR A 85 7.946 -1.295 -3.201 1.00 0.00 C ATOM 1260 C TYR A 85 6.575 -1.735 -3.707 1.00 0.00 C ATOM 1261 O TYR A 85 5.770 -0.922 -4.108 1.00 0.00 O ATOM 1262 CB TYR A 85 7.781 -0.483 -1.915 1.00 0.00 C ATOM 1263 CG TYR A 85 9.135 -0.032 -1.432 1.00 0.00 C ATOM 1264 CD1 TYR A 85 9.888 0.864 -2.199 1.00 0.00 C ATOM 1265 CD2 TYR A 85 9.640 -0.510 -0.216 1.00 0.00 C ATOM 1266 CE1 TYR A 85 11.145 1.282 -1.752 1.00 0.00 C ATOM 1267 CE2 TYR A 85 10.898 -0.091 0.231 1.00 0.00 C ATOM 1268 CZ TYR A 85 11.650 0.805 -0.537 1.00 0.00 C ATOM 1269 OH TYR A 85 12.889 1.218 -0.099 1.00 0.00 O ATOM 0 H TYR A 85 8.137 0.449 -4.413 1.00 0.00 H new ATOM 0 HA TYR A 85 8.570 -2.163 -2.988 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.141 0.380 -2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.292 -1.087 -1.150 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.498 1.233 -3.136 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.059 -1.201 0.376 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.726 1.973 -2.344 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.288 -0.459 1.168 1.00 0.00 H new ATOM 0 HH TYR A 85 13.509 1.255 -0.857 1.00 0.00 H new ATOM 1279 N THR A 86 6.305 -3.009 -3.720 1.00 0.00 N ATOM 1280 CA THR A 86 4.987 -3.469 -4.237 1.00 0.00 C ATOM 1281 C THR A 86 4.137 -4.065 -3.114 1.00 0.00 C ATOM 1282 O THR A 86 4.486 -5.065 -2.519 1.00 0.00 O ATOM 1283 CB THR A 86 5.212 -4.534 -5.311 1.00 0.00 C ATOM 1284 OG1 THR A 86 5.799 -3.933 -6.457 1.00 0.00 O ATOM 1285 CG2 THR A 86 3.873 -5.167 -5.690 1.00 0.00 C ATOM 0 H THR A 86 6.933 -3.746 -3.398 1.00 0.00 H new ATOM 0 HA THR A 86 4.461 -2.611 -4.656 1.00 0.00 H new ATOM 0 HB THR A 86 5.879 -5.305 -4.926 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.091 -4.631 -7.079 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.033 -5.926 -6.456 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.426 -5.628 -4.809 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.203 -4.398 -6.076 1.00 0.00 H new ATOM 1293 N PHE A 87 3.004 -3.473 -2.847 1.00 0.00 N ATOM 1294 CA PHE A 87 2.106 -4.017 -1.795 1.00 0.00 C ATOM 1295 C PHE A 87 0.947 -4.737 -2.484 1.00 0.00 C ATOM 1296 O PHE A 87 0.838 -4.723 -3.694 1.00 0.00 O ATOM 1297 CB PHE A 87 1.571 -2.890 -0.909 1.00 0.00 C ATOM 1298 CG PHE A 87 1.488 -1.622 -1.710 1.00 0.00 C ATOM 1299 CD1 PHE A 87 2.605 -0.789 -1.806 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.301 -1.287 -2.364 1.00 0.00 C ATOM 1301 CE1 PHE A 87 2.536 0.385 -2.556 1.00 0.00 C ATOM 1302 CE2 PHE A 87 0.229 -0.114 -3.116 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.347 0.726 -3.214 1.00 0.00 C ATOM 0 H PHE A 87 2.663 -2.633 -3.315 1.00 0.00 H new ATOM 0 HA PHE A 87 2.658 -4.709 -1.160 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.587 -3.153 -0.521 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.225 -2.747 -0.049 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.522 -1.054 -1.300 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.560 -1.935 -2.288 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.399 1.031 -2.629 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.688 0.147 -3.623 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.292 1.634 -3.796 1.00 0.00 H new ATOM 1313 N TYR A 88 0.083 -5.376 -1.746 1.00 0.00 N ATOM 1314 CA TYR A 88 -1.043 -6.091 -2.405 1.00 0.00 C ATOM 1315 C TYR A 88 -2.169 -6.349 -1.405 1.00 0.00 C ATOM 1316 O TYR A 88 -2.102 -5.963 -0.255 1.00 0.00 O ATOM 1317 CB TYR A 88 -0.538 -7.427 -2.948 1.00 0.00 C ATOM 1318 CG TYR A 88 -0.043 -8.274 -1.801 1.00 0.00 C ATOM 1319 CD1 TYR A 88 -0.952 -9.016 -1.038 1.00 0.00 C ATOM 1320 CD2 TYR A 88 1.323 -8.313 -1.496 1.00 0.00 C ATOM 1321 CE1 TYR A 88 -0.495 -9.798 0.030 1.00 0.00 C ATOM 1322 CE2 TYR A 88 1.780 -9.095 -0.430 1.00 0.00 C ATOM 1323 CZ TYR A 88 0.871 -9.838 0.334 1.00 0.00 C ATOM 1324 OH TYR A 88 1.322 -10.608 1.386 1.00 0.00 O ATOM 0 H TYR A 88 0.107 -5.434 -0.728 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.427 -5.475 -3.218 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.338 -7.943 -3.478 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.265 -7.261 -3.666 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.006 -8.985 -1.273 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.024 -7.739 -2.084 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.196 -10.370 0.619 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.834 -9.126 -0.196 1.00 0.00 H new ATOM 0 HH TYR A 88 2.296 -10.524 1.459 1.00 0.00 H new ATOM 1334 N CYS A 89 -3.203 -7.015 -1.843 1.00 0.00 N ATOM 1335 CA CYS A 89 -4.341 -7.321 -0.934 1.00 0.00 C ATOM 1336 C CYS A 89 -4.522 -8.838 -0.862 1.00 0.00 C ATOM 1337 O CYS A 89 -4.449 -9.529 -1.859 1.00 0.00 O ATOM 1338 CB CYS A 89 -5.618 -6.678 -1.477 1.00 0.00 C ATOM 1339 SG CYS A 89 -6.486 -5.829 -0.134 1.00 0.00 S ATOM 0 H CYS A 89 -3.307 -7.361 -2.797 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.137 -6.925 0.061 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.373 -5.971 -2.270 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.262 -7.439 -1.917 1.00 0.00 H new ATOM 1344 N GLU A 90 -4.747 -9.362 0.309 1.00 0.00 N ATOM 1345 CA GLU A 90 -4.921 -10.836 0.448 1.00 0.00 C ATOM 1346 C GLU A 90 -6.322 -11.269 -0.014 1.00 0.00 C ATOM 1347 O GLU A 90 -6.453 -12.234 -0.740 1.00 0.00 O ATOM 1348 CB GLU A 90 -4.725 -11.234 1.913 1.00 0.00 C ATOM 1349 CG GLU A 90 -4.147 -12.649 1.987 1.00 0.00 C ATOM 1350 CD GLU A 90 -2.734 -12.591 2.568 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -2.616 -12.475 3.777 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -1.793 -12.664 1.795 1.00 0.00 O ATOM 0 H GLU A 90 -4.818 -8.833 1.178 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.180 -11.333 -0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.054 -10.530 2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.677 -11.191 2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.782 -13.281 2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.125 -13.097 0.994 1.00 0.00 H new ATOM 1359 N PRO A 91 -7.332 -10.563 0.435 1.00 0.00 N ATOM 1360 CA PRO A 91 -8.733 -10.883 0.094 1.00 0.00 C ATOM 1361 C PRO A 91 -9.104 -10.421 -1.323 1.00 0.00 C ATOM 1362 O PRO A 91 -9.691 -11.164 -2.085 1.00 0.00 O ATOM 1363 CB PRO A 91 -9.540 -10.121 1.150 1.00 0.00 C ATOM 1364 CG PRO A 91 -8.623 -8.989 1.673 1.00 0.00 C ATOM 1365 CD PRO A 91 -7.180 -9.386 1.317 1.00 0.00 C ATOM 0 HA PRO A 91 -8.924 -11.956 0.097 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.454 -9.712 0.719 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.839 -10.784 1.962 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -8.886 -8.036 1.215 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -8.736 -8.867 2.750 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.658 -8.574 0.811 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.603 -9.629 2.209 1.00 0.00 H new ATOM 1373 N HIS A 92 -8.789 -9.208 -1.685 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.157 -8.728 -3.053 1.00 0.00 C ATOM 1375 C HIS A 92 -7.936 -8.777 -3.975 1.00 0.00 C ATOM 1376 O HIS A 92 -7.457 -7.762 -4.441 1.00 0.00 O ATOM 1377 CB HIS A 92 -9.679 -7.291 -2.967 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.426 -7.117 -1.675 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -9.763 -6.851 -0.484 1.00 0.00 N ATOM 1380 CD2 HIS A 92 -11.760 -7.211 -1.359 1.00 0.00 C ATOM 1381 CE1 HIS A 92 -10.696 -6.812 0.484 1.00 0.00 C ATOM 1382 NE2 HIS A 92 -11.919 -7.021 0.002 1.00 0.00 N ATOM 0 H HIS A 92 -8.297 -8.532 -1.101 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.934 -9.375 -3.460 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.850 -6.586 -3.020 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.334 -7.077 -3.812 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.558 -7.403 -2.062 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.479 -6.633 1.527 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -12.793 -7.038 0.528 1.00 0.00 H new ATOM 1390 N ARG A 93 -7.437 -9.951 -4.254 1.00 0.00 N ATOM 1391 CA ARG A 93 -6.258 -10.063 -5.159 1.00 0.00 C ATOM 1392 C ARG A 93 -6.745 -10.209 -6.603 1.00 0.00 C ATOM 1393 O ARG A 93 -5.965 -10.403 -7.515 1.00 0.00 O ATOM 1394 CB ARG A 93 -5.423 -11.287 -4.775 1.00 0.00 C ATOM 1395 CG ARG A 93 -3.935 -10.944 -4.890 1.00 0.00 C ATOM 1396 CD ARG A 93 -3.095 -12.098 -4.337 1.00 0.00 C ATOM 1397 NE ARG A 93 -2.626 -12.957 -5.462 1.00 0.00 N ATOM 1398 CZ ARG A 93 -1.925 -14.031 -5.216 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -1.854 -14.501 -3.999 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -1.295 -14.638 -6.186 1.00 0.00 N ATOM 0 H ARG A 93 -7.795 -10.836 -3.895 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.643 -9.168 -5.066 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -5.658 -11.597 -3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.666 -12.126 -5.427 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.674 -10.758 -5.932 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.719 -10.028 -4.340 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.241 -11.707 -3.784 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.686 -12.688 -3.637 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.853 -12.706 -6.424 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.346 -14.029 -3.240 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.306 -15.340 -3.807 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.350 -14.273 -7.137 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.748 -15.477 -5.992 1.00 0.00 H new ATOM 1414 N GLY A 94 -8.030 -10.116 -6.819 1.00 0.00 N ATOM 1415 CA GLY A 94 -8.567 -10.247 -8.202 1.00 0.00 C ATOM 1416 C GLY A 94 -8.951 -8.865 -8.732 1.00 0.00 C ATOM 1417 O GLY A 94 -9.159 -8.678 -9.915 1.00 0.00 O ATOM 0 H GLY A 94 -8.731 -9.955 -6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.820 -10.703 -8.852 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.437 -10.904 -8.205 1.00 0.00 H new ATOM 1421 N ALA A 95 -9.045 -7.892 -7.866 1.00 0.00 N ATOM 1422 CA ALA A 95 -9.413 -6.522 -8.322 1.00 0.00 C ATOM 1423 C ALA A 95 -8.139 -5.703 -8.531 1.00 0.00 C ATOM 1424 O ALA A 95 -8.104 -4.514 -8.290 1.00 0.00 O ATOM 1425 CB ALA A 95 -10.290 -5.844 -7.267 1.00 0.00 C ATOM 0 H ALA A 95 -8.883 -7.987 -6.863 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.966 -6.587 -9.259 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.557 -4.842 -7.605 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.197 -6.430 -7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.742 -5.776 -6.327 1.00 0.00 H new ATOM 1431 N GLY A 96 -7.095 -6.336 -8.982 1.00 0.00 N ATOM 1432 CA GLY A 96 -5.818 -5.605 -9.217 1.00 0.00 C ATOM 1433 C GLY A 96 -5.463 -4.759 -7.991 1.00 0.00 C ATOM 1434 O GLY A 96 -4.792 -3.752 -8.099 1.00 0.00 O ATOM 0 H GLY A 96 -7.069 -7.332 -9.199 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.017 -6.314 -9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.912 -4.966 -10.095 1.00 0.00 H new ATOM 1438 N MET A 97 -5.899 -5.155 -6.824 1.00 0.00 N ATOM 1439 CA MET A 97 -5.568 -4.361 -5.605 1.00 0.00 C ATOM 1440 C MET A 97 -4.068 -4.475 -5.324 1.00 0.00 C ATOM 1441 O MET A 97 -3.655 -4.958 -4.289 1.00 0.00 O ATOM 1442 CB MET A 97 -6.356 -4.901 -4.407 1.00 0.00 C ATOM 1443 CG MET A 97 -7.856 -4.742 -4.666 1.00 0.00 C ATOM 1444 SD MET A 97 -8.673 -4.113 -3.173 1.00 0.00 S ATOM 1445 CE MET A 97 -8.321 -2.358 -3.432 1.00 0.00 C ATOM 0 H MET A 97 -6.466 -5.988 -6.663 1.00 0.00 H new ATOM 0 HA MET A 97 -5.834 -3.316 -5.767 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.114 -5.951 -4.243 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.074 -4.364 -3.501 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.020 -4.057 -5.498 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.289 -5.701 -4.952 1.00 0.00 H new ATOM 0 HE1 MET A 97 -9.199 -1.768 -3.169 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.481 -2.059 -2.805 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.070 -2.188 -4.479 1.00 0.00 H new ATOM 1455 N VAL A 98 -3.249 -4.040 -6.244 1.00 0.00 N ATOM 1456 CA VAL A 98 -1.775 -4.128 -6.034 1.00 0.00 C ATOM 1457 C VAL A 98 -1.103 -2.848 -6.538 1.00 0.00 C ATOM 1458 O VAL A 98 -1.041 -2.594 -7.725 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.226 -5.328 -6.809 1.00 0.00 C ATOM 1460 CG1 VAL A 98 0.297 -5.369 -6.678 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -1.818 -6.619 -6.239 1.00 0.00 C ATOM 0 H VAL A 98 -3.537 -3.628 -7.131 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.567 -4.249 -4.971 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.499 -5.234 -7.860 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.687 -6.224 -7.230 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.722 -4.451 -7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.569 -5.461 -5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.427 -7.473 -6.791 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.546 -6.711 -5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.904 -6.593 -6.332 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.595 -2.041 -5.646 1.00 0.00 N ATOM 1472 CA GLY A 99 0.077 -0.784 -6.070 1.00 0.00 C ATOM 1473 C GLY A 99 1.594 -0.958 -5.969 1.00 0.00 C ATOM 1474 O GLY A 99 2.087 -2.043 -5.734 1.00 0.00 O ATOM 0 H GLY A 99 -0.618 -2.201 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.204 -0.536 -7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.248 0.045 -5.441 1.00 0.00 H new ATOM 1478 N LYS A 100 2.339 0.099 -6.141 1.00 0.00 N ATOM 1479 CA LYS A 100 3.822 -0.018 -6.050 1.00 0.00 C ATOM 1480 C LYS A 100 4.425 1.335 -5.668 1.00 0.00 C ATOM 1481 O LYS A 100 4.220 2.327 -6.339 1.00 0.00 O ATOM 1482 CB LYS A 100 4.388 -0.456 -7.402 1.00 0.00 C ATOM 1483 CG LYS A 100 4.070 -1.934 -7.635 1.00 0.00 C ATOM 1484 CD LYS A 100 4.997 -2.495 -8.717 1.00 0.00 C ATOM 1485 CE LYS A 100 4.384 -3.767 -9.307 1.00 0.00 C ATOM 1486 NZ LYS A 100 4.394 -3.683 -10.795 1.00 0.00 N ATOM 0 H LYS A 100 1.987 1.035 -6.340 1.00 0.00 H new ATOM 0 HA LYS A 100 4.074 -0.758 -5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.959 0.149 -8.201 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.466 -0.297 -7.425 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.196 -2.494 -6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.029 -2.049 -7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.147 -1.754 -9.502 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.977 -2.714 -8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.947 -4.640 -8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.363 -3.892 -8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.977 -4.548 -11.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.839 -2.858 -11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.373 -3.584 -11.131 1.00 0.00 H new ATOM 1500 N ILE A 101 5.175 1.383 -4.600 1.00 0.00 N ATOM 1501 CA ILE A 101 5.798 2.671 -4.185 1.00 0.00 C ATOM 1502 C ILE A 101 7.184 2.782 -4.835 1.00 0.00 C ATOM 1503 O ILE A 101 8.028 1.923 -4.671 1.00 0.00 O ATOM 1504 CB ILE A 101 5.909 2.718 -2.643 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.820 3.653 -2.093 1.00 0.00 C ATOM 1506 CG2 ILE A 101 7.293 3.231 -2.206 1.00 0.00 C ATOM 1507 CD1 ILE A 101 5.149 4.062 -0.650 1.00 0.00 C ATOM 0 H ILE A 101 5.383 0.586 -3.998 1.00 0.00 H new ATOM 0 HA ILE A 101 5.184 3.511 -4.510 1.00 0.00 H new ATOM 0 HB ILE A 101 5.778 1.710 -2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.742 4.540 -2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.852 3.153 -2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.345 3.255 -1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.066 2.566 -2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.449 4.236 -2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.370 4.724 -0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.204 3.172 -0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.107 4.581 -0.628 1.00 0.00 H new ATOM 1519 N THR A 102 7.426 3.838 -5.559 1.00 0.00 N ATOM 1520 CA THR A 102 8.757 4.010 -6.204 1.00 0.00 C ATOM 1521 C THR A 102 9.546 5.069 -5.434 1.00 0.00 C ATOM 1522 O THR A 102 9.367 6.254 -5.636 1.00 0.00 O ATOM 1523 CB THR A 102 8.570 4.469 -7.653 1.00 0.00 C ATOM 1524 OG1 THR A 102 8.050 3.398 -8.429 1.00 0.00 O ATOM 1525 CG2 THR A 102 9.917 4.911 -8.228 1.00 0.00 C ATOM 0 H THR A 102 6.759 4.590 -5.732 1.00 0.00 H new ATOM 0 HA THR A 102 9.297 3.063 -6.194 1.00 0.00 H new ATOM 0 HB THR A 102 7.873 5.306 -7.680 1.00 0.00 H new ATOM 0 HG1 THR A 102 7.929 3.694 -9.355 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.783 5.237 -9.259 1.00 0.00 H new ATOM 0 HG22 THR A 102 10.313 5.735 -7.635 1.00 0.00 H new ATOM 0 HG23 THR A 102 10.616 4.075 -8.200 1.00 0.00 H new ATOM 1533 N VAL A 103 10.413 4.661 -4.546 1.00 0.00 N ATOM 1534 CA VAL A 103 11.194 5.663 -3.770 1.00 0.00 C ATOM 1535 C VAL A 103 12.589 5.808 -4.381 1.00 0.00 C ATOM 1536 O VAL A 103 13.570 5.346 -3.832 1.00 0.00 O ATOM 1537 CB VAL A 103 11.312 5.201 -2.317 1.00 0.00 C ATOM 1538 CG1 VAL A 103 11.752 6.376 -1.443 1.00 0.00 C ATOM 1539 CG2 VAL A 103 9.951 4.692 -1.835 1.00 0.00 C ATOM 0 H VAL A 103 10.612 3.685 -4.327 1.00 0.00 H new ATOM 0 HA VAL A 103 10.686 6.627 -3.802 1.00 0.00 H new ATOM 0 HB VAL A 103 12.048 4.400 -2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 103 11.836 6.047 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 103 12.719 6.743 -1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 103 11.015 7.176 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.032 4.362 -0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.217 5.495 -1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.634 3.856 -2.458 1.00 0.00 H new ATOM 1549 N ALA A 104 12.685 6.446 -5.516 1.00 0.00 N ATOM 1550 CA ALA A 104 14.016 6.622 -6.163 1.00 0.00 C ATOM 1551 C ALA A 104 15.042 7.054 -5.113 1.00 0.00 C ATOM 1552 O ALA A 104 15.012 8.165 -4.623 1.00 0.00 O ATOM 1553 CB ALA A 104 13.914 7.693 -7.251 1.00 0.00 C ATOM 0 H ALA A 104 11.899 6.853 -6.023 1.00 0.00 H new ATOM 0 HA ALA A 104 14.332 5.679 -6.609 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.887 7.823 -7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.184 7.384 -7.999 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.599 8.636 -6.805 1.00 0.00 H new ATOM 1559 N GLY A 105 15.950 6.184 -4.765 1.00 0.00 N ATOM 1560 CA GLY A 105 16.977 6.543 -3.746 1.00 0.00 C ATOM 1561 C GLY A 105 16.309 6.699 -2.379 1.00 0.00 C ATOM 1562 O GLY A 105 16.233 7.820 -1.903 1.00 0.00 O ATOM 1563 OXT GLY A 105 15.884 5.696 -1.831 1.00 0.00 O ATOM 0 H GLY A 105 16.025 5.239 -5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 105 17.745 5.771 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.474 7.471 -4.027 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 -8.481 -5.290 -0.511 1.00 0.00 CU