USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 919 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 13 LYS NZ :NH3+ 171:sc= 0.935 (180deg=-0.096) USER MOD Set 1.2: A 112 ASN : amide:sc= 0.627 K(o=1.6,f=-4.6) USER MOD Set 2.1: A 103 CYS SG : rot -21:sc= -0.341 USER MOD Set 2.2: A 104 GLN : amide:sc= -1.31 X(o=-1.6,f=-1.3) USER MOD Set 3.1: A 94 HIS : no HE2:sc= -0.0559 K(o=-0.056,f=-1.4) USER MOD Set 3.2: A 98 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0524) USER MOD Set 4.1: A 58 THR OG1 : rot 150:sc= -0.385 USER MOD Set 4.2: A 60 GLN : amide:sc= -0.268 K(o=-0.65,f=-1.5) USER MOD Set 5.1: A 43 SER OG : rot 180:sc= 0.72 USER MOD Set 5.2: A 45 SER OG : rot -21:sc= 0.872 USER MOD Set 6.1: A 34 LYS NZ :NH3+ -150:sc= 1.11 (180deg=0) USER MOD Set 6.2: A 107 THR OG1 : rot -120:sc= 0.865 USER MOD Set 7.1: A 33 ASN : amide:sc= -0.908 K(o=-0.8,f=-2.9) USER MOD Set 7.2: A 110 CYS SG : rot 112:sc= 0.108 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0647 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -19:sc= 1.22 USER MOD Single : A 18 THR OG1 : rot -65:sc= 0.261 USER MOD Single : A 20 SER OG : rot 170:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= 0.0269 (180deg=0.0218) USER MOD Single : A 27 GLN : amide:sc= -0.415 K(o=-0.42,f=-4.1!) USER MOD Single : A 32 MET CE :methyl 166:sc= -0.282 (180deg=-0.963) USER MOD Single : A 37 SER OG : rot -76:sc= 1.26 USER MOD Single : A 46 ASN : amide:sc= -6.04! C(o=-6!,f=-9.6!) USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= 0.00915 (180deg=-0.0634) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -130:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= -0.728 (180deg=-1.38) USER MOD Single : A 59 THR OG1 : rot -22:sc= 0.47 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0.748 (180deg=0.748) USER MOD Single : A 66 HIS : no HE2:sc= -0.275 K(o=-0.28,f=-1.6) USER MOD Single : A 67 TYR OH : rot 132:sc= 0.203 USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= -0.095 (180deg=-0.369) USER MOD Single : A 71 SER OG : rot 34:sc= -0.84 USER MOD Single : A 74 ASN : amide:sc= -0.927 K(o=-0.93,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 167:sc= 0 USER MOD Single : A 80 SER OG : rot -130:sc= -0.017 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 89 GLN : amide:sc= -3.98! K(o=-4!,f=-1.1) USER MOD Single : A 93 GLN : amide:sc= -1.17 K(o=-1.2,f=0) USER MOD Single : A 95 TYR OH : rot 130:sc= -0.431 USER MOD Single : A 96 SER OG : rot 51:sc= 1.01 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -158:sc= 0.943 (180deg=0.539) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.747 4.757 -22.835 1.00 0.00 N ATOM 2 CA GLY A 1 -13.155 5.027 -23.118 1.00 0.00 C ATOM 3 C GLY A 1 -13.685 6.247 -22.366 1.00 0.00 C ATOM 4 O GLY A 1 -12.951 6.943 -21.677 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.237 4.603 -23.728 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.332 5.568 -22.334 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.669 3.907 -22.241 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.283 5.182 -24.189 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.749 4.154 -22.849 1.00 0.00 H new ATOM 10 N SER A 2 -15.009 6.445 -22.542 1.00 0.00 N ATOM 11 CA SER A 2 -15.709 7.556 -21.899 1.00 0.00 C ATOM 12 C SER A 2 -15.857 7.320 -20.387 1.00 0.00 C ATOM 13 O SER A 2 -15.937 8.250 -19.598 1.00 0.00 O ATOM 14 CB SER A 2 -17.138 7.664 -22.495 1.00 0.00 C ATOM 15 OG SER A 2 -18.129 6.607 -22.174 1.00 0.00 O ATOM 0 H SER A 2 -15.602 5.851 -23.121 1.00 0.00 H new ATOM 0 HA SER A 2 -15.130 8.463 -22.071 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.558 8.618 -22.175 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.041 7.706 -23.580 1.00 0.00 H new ATOM 0 HG SER A 2 -18.979 6.810 -22.617 1.00 0.00 H new ATOM 21 N VAL A 3 -15.892 6.012 -20.049 1.00 0.00 N ATOM 22 CA VAL A 3 -16.033 5.551 -18.671 1.00 0.00 C ATOM 23 C VAL A 3 -14.957 6.167 -17.759 1.00 0.00 C ATOM 24 O VAL A 3 -13.787 6.267 -18.102 1.00 0.00 O ATOM 25 CB VAL A 3 -16.014 4.007 -18.581 1.00 0.00 C ATOM 26 CG1 VAL A 3 -17.415 3.447 -18.334 1.00 0.00 C ATOM 27 CG2 VAL A 3 -15.354 3.319 -19.785 1.00 0.00 C ATOM 0 H VAL A 3 -15.823 5.256 -20.730 1.00 0.00 H new ATOM 0 HA VAL A 3 -17.006 5.891 -18.318 1.00 0.00 H new ATOM 0 HB VAL A 3 -15.384 3.775 -17.722 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.367 2.360 -18.276 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -17.805 3.844 -17.397 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -18.073 3.738 -19.153 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -15.380 2.238 -19.646 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -15.894 3.581 -20.695 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -14.319 3.649 -19.870 1.00 0.00 H new ATOM 37 N ALA A 4 -15.494 6.557 -16.587 1.00 0.00 N ATOM 38 CA ALA A 4 -14.827 7.197 -15.460 1.00 0.00 C ATOM 39 C ALA A 4 -15.905 8.072 -14.781 1.00 0.00 C ATOM 40 O ALA A 4 -16.431 7.684 -13.746 1.00 0.00 O ATOM 41 CB ALA A 4 -13.493 7.883 -15.812 1.00 0.00 C ATOM 0 H ALA A 4 -16.487 6.417 -16.399 1.00 0.00 H new ATOM 0 HA ALA A 4 -14.457 6.466 -14.741 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -13.067 8.332 -14.915 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -12.799 7.144 -16.213 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -13.668 8.658 -16.558 1.00 0.00 H new ATOM 47 N PRO A 5 -16.256 9.249 -15.389 1.00 0.00 N ATOM 48 CA PRO A 5 -17.324 10.082 -14.834 1.00 0.00 C ATOM 49 C PRO A 5 -18.720 9.577 -15.269 1.00 0.00 C ATOM 50 O PRO A 5 -19.732 9.962 -14.700 1.00 0.00 O ATOM 51 CB PRO A 5 -17.082 11.455 -15.474 1.00 0.00 C ATOM 52 CG PRO A 5 -16.411 11.135 -16.813 1.00 0.00 C ATOM 53 CD PRO A 5 -15.589 9.878 -16.531 1.00 0.00 C ATOM 0 HA PRO A 5 -17.309 10.083 -13.744 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -18.016 11.998 -15.617 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -16.444 12.079 -14.848 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -17.149 10.961 -17.596 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -15.779 11.957 -17.148 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -15.571 9.214 -17.395 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -14.553 10.126 -16.298 1.00 0.00 H new ATOM 61 N VAL A 6 -18.712 8.689 -16.296 1.00 0.00 N ATOM 62 CA VAL A 6 -19.950 8.113 -16.827 1.00 0.00 C ATOM 63 C VAL A 6 -20.396 6.976 -15.888 1.00 0.00 C ATOM 64 O VAL A 6 -21.282 7.156 -15.062 1.00 0.00 O ATOM 65 CB VAL A 6 -19.761 7.704 -18.304 1.00 0.00 C ATOM 66 CG1 VAL A 6 -21.078 7.232 -18.932 1.00 0.00 C ATOM 67 CG2 VAL A 6 -19.194 8.879 -19.117 1.00 0.00 C ATOM 0 H VAL A 6 -17.864 8.366 -16.762 1.00 0.00 H new ATOM 0 HA VAL A 6 -20.760 8.842 -16.845 1.00 0.00 H new ATOM 0 HB VAL A 6 -19.056 6.873 -18.325 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -20.906 6.953 -19.971 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -21.455 6.370 -18.382 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -21.811 8.038 -18.890 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -19.067 8.575 -20.156 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -19.883 9.722 -19.068 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -18.229 9.175 -18.705 1.00 0.00 H new ATOM 77 N GLU A 7 -19.739 5.809 -16.066 1.00 0.00 N ATOM 78 CA GLU A 7 -19.998 4.645 -15.214 1.00 0.00 C ATOM 79 C GLU A 7 -18.774 4.398 -14.333 1.00 0.00 C ATOM 80 O GLU A 7 -17.675 4.841 -14.648 1.00 0.00 O ATOM 81 CB GLU A 7 -20.305 3.374 -16.019 1.00 0.00 C ATOM 82 CG GLU A 7 -21.502 3.538 -16.965 1.00 0.00 C ATOM 83 CD GLU A 7 -21.959 2.170 -17.500 1.00 0.00 C ATOM 84 OE1 GLU A 7 -22.761 1.518 -16.833 1.00 0.00 O ATOM 85 OE2 GLU A 7 -21.507 1.772 -18.572 1.00 0.00 O ATOM 0 H GLU A 7 -19.034 5.656 -16.787 1.00 0.00 H new ATOM 0 HA GLU A 7 -20.880 4.866 -14.614 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -19.425 3.097 -16.600 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -20.503 2.553 -15.330 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -22.325 4.022 -16.439 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -21.229 4.187 -17.797 1.00 0.00 H new ATOM 92 N THR A 8 -19.049 3.681 -13.224 1.00 0.00 N ATOM 93 CA THR A 8 -18.017 3.324 -12.253 1.00 0.00 C ATOM 94 C THR A 8 -17.342 4.578 -11.639 1.00 0.00 C ATOM 95 O THR A 8 -18.011 5.564 -11.359 1.00 0.00 O ATOM 96 CB THR A 8 -17.020 2.311 -12.901 1.00 0.00 C ATOM 97 OG1 THR A 8 -16.105 2.811 -13.927 1.00 0.00 O ATOM 98 CG2 THR A 8 -17.796 1.037 -13.345 1.00 0.00 C ATOM 0 H THR A 8 -19.981 3.342 -12.986 1.00 0.00 H new ATOM 0 HA THR A 8 -18.475 2.820 -11.402 1.00 0.00 H new ATOM 0 HB THR A 8 -16.311 2.073 -12.108 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.448 3.655 -14.288 1.00 0.00 H new ATOM 0 HG21 THR A 8 -17.103 0.328 -13.798 1.00 0.00 H new ATOM 0 HG22 THR A 8 -18.269 0.578 -12.477 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.560 1.311 -14.072 1.00 0.00 H new ATOM 106 N LEU A 9 -16.004 4.494 -11.450 1.00 0.00 N ATOM 107 CA LEU A 9 -15.267 5.611 -10.867 1.00 0.00 C ATOM 108 C LEU A 9 -13.759 5.340 -11.023 1.00 0.00 C ATOM 109 O LEU A 9 -13.319 4.203 -11.141 1.00 0.00 O ATOM 110 CB LEU A 9 -15.650 5.769 -9.376 1.00 0.00 C ATOM 111 CG LEU A 9 -15.039 6.984 -8.650 1.00 0.00 C ATOM 112 CD1 LEU A 9 -15.474 8.313 -9.282 1.00 0.00 C ATOM 113 CD2 LEU A 9 -15.419 6.954 -7.164 1.00 0.00 C ATOM 0 H LEU A 9 -15.436 3.681 -11.690 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.518 6.540 -11.379 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.736 5.836 -9.305 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.351 4.865 -8.846 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.956 6.916 -8.750 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.019 9.141 -8.738 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.153 8.343 -10.323 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -16.559 8.400 -9.235 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.983 7.816 -6.659 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -16.504 6.986 -7.065 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.040 6.038 -6.710 1.00 0.00 H new ATOM 125 N GLU A 10 -13.019 6.472 -11.012 1.00 0.00 N ATOM 126 CA GLU A 10 -11.567 6.470 -11.135 1.00 0.00 C ATOM 127 C GLU A 10 -10.938 6.073 -9.784 1.00 0.00 C ATOM 128 O GLU A 10 -10.567 6.910 -8.970 1.00 0.00 O ATOM 129 CB GLU A 10 -11.089 7.874 -11.546 1.00 0.00 C ATOM 130 CG GLU A 10 -11.619 8.302 -12.921 1.00 0.00 C ATOM 131 CD GLU A 10 -11.169 9.730 -13.297 1.00 0.00 C ATOM 132 OE1 GLU A 10 -9.974 10.018 -13.210 1.00 0.00 O ATOM 133 OE2 GLU A 10 -12.022 10.535 -13.676 1.00 0.00 O ATOM 0 H GLU A 10 -13.423 7.404 -10.917 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.262 5.751 -11.895 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.411 8.597 -10.796 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.999 7.893 -11.559 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.269 7.601 -13.678 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.708 8.254 -12.921 1.00 0.00 H new ATOM 140 N VAL A 11 -10.847 4.741 -9.621 1.00 0.00 N ATOM 141 CA VAL A 11 -10.273 4.133 -8.424 1.00 0.00 C ATOM 142 C VAL A 11 -9.686 2.765 -8.814 1.00 0.00 C ATOM 143 O VAL A 11 -8.477 2.591 -8.906 1.00 0.00 O ATOM 144 CB VAL A 11 -11.287 4.051 -7.248 1.00 0.00 C ATOM 145 CG1 VAL A 11 -11.142 5.244 -6.294 1.00 0.00 C ATOM 146 CG2 VAL A 11 -12.757 3.942 -7.695 1.00 0.00 C ATOM 0 H VAL A 11 -11.169 4.066 -10.315 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.473 4.766 -8.042 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.034 3.126 -6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.866 5.153 -5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.134 5.258 -5.879 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.322 6.170 -6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.401 3.889 -6.817 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.023 4.817 -8.288 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.889 3.042 -8.296 1.00 0.00 H new ATOM 156 N GLU A 12 -10.627 1.822 -9.044 1.00 0.00 N ATOM 157 CA GLU A 12 -10.309 0.456 -9.446 1.00 0.00 C ATOM 158 C GLU A 12 -9.472 -0.243 -8.357 1.00 0.00 C ATOM 159 O GLU A 12 -9.465 0.133 -7.189 1.00 0.00 O ATOM 160 CB GLU A 12 -9.631 0.456 -10.838 1.00 0.00 C ATOM 161 CG GLU A 12 -10.366 1.327 -11.875 1.00 0.00 C ATOM 162 CD GLU A 12 -9.722 1.209 -13.270 1.00 0.00 C ATOM 163 OE1 GLU A 12 -8.495 1.249 -13.362 1.00 0.00 O ATOM 164 OE2 GLU A 12 -10.456 1.081 -14.250 1.00 0.00 O ATOM 0 H GLU A 12 -11.627 1.999 -8.953 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.226 -0.124 -9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.606 0.813 -10.735 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.576 -0.568 -11.208 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.412 1.025 -11.929 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.351 2.368 -11.553 1.00 0.00 H new ATOM 171 N LYS A 13 -8.774 -1.291 -8.835 1.00 0.00 N ATOM 172 CA LYS A 13 -7.905 -2.074 -7.976 1.00 0.00 C ATOM 173 C LYS A 13 -6.503 -1.462 -7.978 1.00 0.00 C ATOM 174 O LYS A 13 -5.712 -1.777 -7.098 1.00 0.00 O ATOM 175 CB LYS A 13 -7.917 -3.548 -8.393 1.00 0.00 C ATOM 176 CG LYS A 13 -9.122 -4.281 -7.790 1.00 0.00 C ATOM 177 CD LYS A 13 -8.833 -4.768 -6.360 1.00 0.00 C ATOM 178 CE LYS A 13 -10.048 -5.380 -5.655 1.00 0.00 C ATOM 179 NZ LYS A 13 -11.137 -4.431 -5.447 1.00 0.00 N ATOM 0 H LYS A 13 -8.803 -1.603 -9.806 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.272 -2.047 -6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.949 -3.622 -9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.994 -4.029 -8.068 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.985 -3.616 -7.781 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.382 -5.132 -8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.034 -5.508 -6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.466 -3.929 -5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.416 -6.220 -6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.736 -5.780 -4.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.979 -4.938 -5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.851 -3.724 -4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.358 -3.954 -6.344 1.00 0.00 H new ATOM 193 N TRP A 14 -6.218 -0.575 -8.974 1.00 0.00 N ATOM 194 CA TRP A 14 -4.889 0.032 -8.945 1.00 0.00 C ATOM 195 C TRP A 14 -4.804 1.024 -7.769 1.00 0.00 C ATOM 196 O TRP A 14 -3.875 0.962 -6.978 1.00 0.00 O ATOM 197 CB TRP A 14 -4.340 0.533 -10.306 1.00 0.00 C ATOM 198 CG TRP A 14 -4.630 1.965 -10.724 1.00 0.00 C ATOM 199 CD1 TRP A 14 -5.402 2.347 -11.827 1.00 0.00 C ATOM 200 CD2 TRP A 14 -4.069 3.184 -10.188 1.00 0.00 C ATOM 201 NE1 TRP A 14 -5.326 3.693 -11.991 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.517 4.249 -11.009 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.248 3.447 -9.126 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.120 5.533 -10.730 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -2.865 4.753 -8.847 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.301 5.795 -9.650 1.00 0.00 C ATOM 0 H TRP A 14 -6.837 -0.294 -9.734 1.00 0.00 H new ATOM 0 HA TRP A 14 -4.168 -0.763 -8.752 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.258 0.404 -10.294 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -4.731 -0.124 -11.083 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -5.971 1.675 -12.452 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.795 4.219 -12.728 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -2.897 2.638 -8.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.451 6.345 -11.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.225 4.957 -8.001 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.001 6.809 -9.431 1.00 0.00 H new ATOM 217 N PHE A 15 -5.827 1.914 -7.663 1.00 0.00 N ATOM 218 CA PHE A 15 -5.806 2.889 -6.567 1.00 0.00 C ATOM 219 C PHE A 15 -6.534 2.347 -5.318 1.00 0.00 C ATOM 220 O PHE A 15 -7.715 2.588 -5.092 1.00 0.00 O ATOM 221 CB PHE A 15 -6.350 4.257 -7.013 1.00 0.00 C ATOM 222 CG PHE A 15 -5.902 5.383 -6.105 1.00 0.00 C ATOM 223 CD1 PHE A 15 -4.545 5.642 -5.920 1.00 0.00 C ATOM 224 CD2 PHE A 15 -6.824 6.191 -5.447 1.00 0.00 C ATOM 225 CE1 PHE A 15 -4.112 6.688 -5.115 1.00 0.00 C ATOM 226 CE2 PHE A 15 -6.399 7.240 -4.637 1.00 0.00 C ATOM 227 CZ PHE A 15 -5.042 7.490 -4.472 1.00 0.00 C ATOM 0 H PHE A 15 -6.629 1.970 -8.290 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.765 3.046 -6.284 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.019 4.462 -8.031 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.439 4.222 -7.033 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.815 5.017 -6.413 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.881 6.002 -5.566 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.056 6.876 -4.991 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.126 7.861 -4.135 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.713 8.306 -3.845 1.00 0.00 H new ATOM 237 N PHE A 16 -5.723 1.615 -4.519 1.00 0.00 N ATOM 238 CA PHE A 16 -6.170 1.001 -3.268 1.00 0.00 C ATOM 239 C PHE A 16 -5.626 1.810 -2.084 1.00 0.00 C ATOM 240 O PHE A 16 -4.987 2.840 -2.249 1.00 0.00 O ATOM 241 CB PHE A 16 -5.731 -0.494 -3.240 1.00 0.00 C ATOM 242 CG PHE A 16 -6.913 -1.429 -3.257 1.00 0.00 C ATOM 243 CD1 PHE A 16 -8.041 -1.164 -4.034 1.00 0.00 C ATOM 244 CD2 PHE A 16 -6.897 -2.567 -2.459 1.00 0.00 C ATOM 245 CE1 PHE A 16 -9.156 -1.985 -3.968 1.00 0.00 C ATOM 246 CE2 PHE A 16 -8.012 -3.393 -2.396 1.00 0.00 C ATOM 247 CZ PHE A 16 -9.144 -3.099 -3.141 1.00 0.00 C ATOM 0 H PHE A 16 -4.741 1.439 -4.733 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.257 1.015 -3.193 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.093 -0.701 -4.099 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.134 -0.680 -2.347 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.046 -0.309 -4.694 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.014 -2.810 -1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.031 -1.758 -4.559 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -7.997 -4.268 -1.764 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.014 -3.736 -3.078 1.00 0.00 H new ATOM 257 N ARG A 17 -5.964 1.296 -0.885 1.00 0.00 N ATOM 258 CA ARG A 17 -5.531 1.889 0.379 1.00 0.00 C ATOM 259 C ARG A 17 -4.628 0.891 1.108 1.00 0.00 C ATOM 260 O ARG A 17 -4.208 -0.112 0.550 1.00 0.00 O ATOM 261 CB ARG A 17 -6.744 2.295 1.243 1.00 0.00 C ATOM 262 CG ARG A 17 -7.470 3.561 0.778 1.00 0.00 C ATOM 263 CD ARG A 17 -6.550 4.656 0.217 1.00 0.00 C ATOM 264 NE ARG A 17 -7.299 5.876 -0.064 1.00 0.00 N ATOM 265 CZ ARG A 17 -8.016 6.050 -1.195 1.00 0.00 C ATOM 266 NH1 ARG A 17 -8.102 5.098 -2.117 1.00 0.00 N ATOM 267 NH2 ARG A 17 -8.656 7.193 -1.393 1.00 0.00 N ATOM 0 H ARG A 17 -6.542 0.463 -0.774 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.967 2.801 0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.455 1.469 1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.408 2.442 2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.196 3.287 0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.031 3.971 1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.755 4.870 0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.071 4.301 -0.695 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.280 6.630 0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.620 4.210 -1.979 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.650 5.255 -2.963 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.605 7.934 -0.694 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.200 7.332 -2.245 1.00 0.00 H new ATOM 281 N THR A 18 -4.359 1.276 2.373 1.00 0.00 N ATOM 282 CA THR A 18 -3.538 0.593 3.350 1.00 0.00 C ATOM 283 C THR A 18 -4.127 -0.744 3.791 1.00 0.00 C ATOM 284 O THR A 18 -4.566 -0.943 4.917 1.00 0.00 O ATOM 285 CB THR A 18 -3.238 1.409 4.645 1.00 0.00 C ATOM 286 OG1 THR A 18 -2.586 0.655 5.721 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.447 2.284 5.104 1.00 0.00 C ATOM 0 H THR A 18 -4.748 2.140 2.750 1.00 0.00 H new ATOM 0 HA THR A 18 -2.605 0.447 2.805 1.00 0.00 H new ATOM 0 HB THR A 18 -2.463 2.117 4.352 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.190 -0.047 6.041 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.179 2.829 6.009 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.703 2.993 4.317 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.304 1.642 5.307 1.00 0.00 H new ATOM 295 N ILE A 19 -4.079 -1.641 2.809 1.00 0.00 N ATOM 296 CA ILE A 19 -4.475 -3.023 2.990 1.00 0.00 C ATOM 297 C ILE A 19 -3.170 -3.666 3.434 1.00 0.00 C ATOM 298 O ILE A 19 -2.110 -3.109 3.165 1.00 0.00 O ATOM 299 CB ILE A 19 -4.945 -3.583 1.645 1.00 0.00 C ATOM 300 CG1 ILE A 19 -5.847 -4.799 1.789 1.00 0.00 C ATOM 301 CG2 ILE A 19 -3.826 -3.827 0.630 1.00 0.00 C ATOM 302 CD1 ILE A 19 -6.244 -5.363 0.417 1.00 0.00 C ATOM 0 H ILE A 19 -3.762 -1.422 1.864 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.291 -3.187 3.694 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.549 -2.779 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.335 -5.568 2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.743 -4.526 2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.251 -4.223 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.315 -2.888 0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.114 -4.544 1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.889 -6.231 0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.778 -4.600 -0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.348 -5.659 -0.128 1.00 0.00 H new ATOM 314 N SER A 20 -3.238 -4.819 4.110 1.00 0.00 N ATOM 315 CA SER A 20 -1.936 -5.368 4.508 1.00 0.00 C ATOM 316 C SER A 20 -1.144 -5.729 3.242 1.00 0.00 C ATOM 317 O SER A 20 -1.696 -5.989 2.182 1.00 0.00 O ATOM 318 CB SER A 20 -2.046 -6.634 5.402 1.00 0.00 C ATOM 319 OG SER A 20 -0.847 -7.456 5.731 1.00 0.00 O ATOM 0 H SER A 20 -4.075 -5.341 4.370 1.00 0.00 H new ATOM 0 HA SER A 20 -1.434 -4.601 5.098 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.484 -6.317 6.349 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.766 -7.299 4.924 1.00 0.00 H new ATOM 0 HG SER A 20 -1.078 -8.108 6.425 1.00 0.00 H new ATOM 325 N ARG A 21 0.182 -5.710 3.431 1.00 0.00 N ATOM 326 CA ARG A 21 1.112 -6.024 2.358 1.00 0.00 C ATOM 327 C ARG A 21 0.720 -7.330 1.641 1.00 0.00 C ATOM 328 O ARG A 21 0.604 -7.363 0.426 1.00 0.00 O ATOM 329 CB ARG A 21 2.549 -6.105 2.903 1.00 0.00 C ATOM 330 CG ARG A 21 3.592 -5.911 1.792 1.00 0.00 C ATOM 331 CD ARG A 21 3.903 -4.433 1.515 1.00 0.00 C ATOM 332 NE ARG A 21 4.730 -3.883 2.589 1.00 0.00 N ATOM 333 CZ ARG A 21 6.073 -4.017 2.624 1.00 0.00 C ATOM 334 NH1 ARG A 21 6.732 -4.635 1.653 1.00 0.00 N ATOM 335 NH2 ARG A 21 6.751 -3.527 3.651 1.00 0.00 N ATOM 0 H ARG A 21 0.627 -5.480 4.320 1.00 0.00 H new ATOM 0 HA ARG A 21 1.065 -5.221 1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.690 -5.344 3.671 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.703 -7.073 3.381 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.512 -6.424 2.071 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.231 -6.379 0.876 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.420 -4.335 0.561 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.975 -3.867 1.434 1.00 0.00 H new ATOM 0 HE ARG A 21 4.271 -3.375 3.346 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.224 -5.021 0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.747 -4.724 1.702 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.258 -3.053 4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.766 -3.624 3.685 1.00 0.00 H new ATOM 349 N LYS A 22 0.469 -8.376 2.464 1.00 0.00 N ATOM 350 CA LYS A 22 0.101 -9.663 1.879 1.00 0.00 C ATOM 351 C LYS A 22 -1.285 -9.716 1.240 1.00 0.00 C ATOM 352 O LYS A 22 -1.586 -10.623 0.476 1.00 0.00 O ATOM 353 CB LYS A 22 0.200 -10.826 2.881 1.00 0.00 C ATOM 354 CG LYS A 22 -0.709 -10.892 4.125 1.00 0.00 C ATOM 355 CD LYS A 22 -2.006 -10.117 4.124 1.00 0.00 C ATOM 356 CE LYS A 22 -2.727 -10.125 5.476 1.00 0.00 C ATOM 357 NZ LYS A 22 -3.624 -11.265 5.628 1.00 0.00 N ATOM 0 H LYS A 22 0.514 -8.350 3.483 1.00 0.00 H new ATOM 0 HA LYS A 22 0.841 -9.776 1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.036 -11.745 2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.230 -10.851 3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.952 -11.940 4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.123 -10.553 4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.803 -9.085 3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.669 -10.535 3.366 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.988 -10.140 6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.297 -9.202 5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.995 -11.288 6.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.414 -11.177 4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.103 -12.144 5.435 1.00 0.00 H new ATOM 371 N ASP A 23 -2.114 -8.719 1.599 1.00 0.00 N ATOM 372 CA ASP A 23 -3.479 -8.728 1.128 1.00 0.00 C ATOM 373 C ASP A 23 -3.520 -8.307 -0.333 1.00 0.00 C ATOM 374 O ASP A 23 -4.103 -8.941 -1.194 1.00 0.00 O ATOM 375 CB ASP A 23 -4.372 -7.783 1.956 1.00 0.00 C ATOM 376 CG ASP A 23 -4.872 -8.369 3.292 1.00 0.00 C ATOM 377 OD1 ASP A 23 -5.032 -9.586 3.402 1.00 0.00 O ATOM 378 OD2 ASP A 23 -5.115 -7.588 4.210 1.00 0.00 O ATOM 0 H ASP A 23 -1.860 -7.930 2.193 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.863 -9.742 1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.816 -6.869 2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.236 -7.502 1.353 1.00 0.00 H new ATOM 383 N ALA A 24 -2.823 -7.191 -0.539 1.00 0.00 N ATOM 384 CA ALA A 24 -2.693 -6.605 -1.866 1.00 0.00 C ATOM 385 C ALA A 24 -2.022 -7.594 -2.835 1.00 0.00 C ATOM 386 O ALA A 24 -2.299 -7.628 -4.030 1.00 0.00 O ATOM 387 CB ALA A 24 -1.859 -5.344 -1.718 1.00 0.00 C ATOM 0 H ALA A 24 -2.341 -6.677 0.198 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.673 -6.370 -2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.737 -4.872 -2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.361 -4.653 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.880 -5.601 -1.314 1.00 0.00 H new ATOM 393 N GLU A 25 -1.148 -8.408 -2.214 1.00 0.00 N ATOM 394 CA GLU A 25 -0.430 -9.430 -2.942 1.00 0.00 C ATOM 395 C GLU A 25 -1.379 -10.592 -3.272 1.00 0.00 C ATOM 396 O GLU A 25 -1.273 -11.193 -4.328 1.00 0.00 O ATOM 397 CB GLU A 25 0.737 -9.963 -2.093 1.00 0.00 C ATOM 398 CG GLU A 25 1.892 -8.963 -1.933 1.00 0.00 C ATOM 399 CD GLU A 25 3.005 -9.551 -1.046 1.00 0.00 C ATOM 400 OE1 GLU A 25 3.728 -10.430 -1.516 1.00 0.00 O ATOM 401 OE2 GLU A 25 3.139 -9.125 0.101 1.00 0.00 O ATOM 0 H GLU A 25 -0.934 -8.366 -1.218 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.040 -8.996 -3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.363 -10.233 -1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.119 -10.876 -2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.297 -8.709 -2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.520 -8.038 -1.492 1.00 0.00 H new ATOM 408 N ARG A 26 -2.326 -10.861 -2.339 1.00 0.00 N ATOM 409 CA ARG A 26 -3.264 -11.973 -2.517 1.00 0.00 C ATOM 410 C ARG A 26 -4.134 -11.763 -3.767 1.00 0.00 C ATOM 411 O ARG A 26 -4.475 -12.689 -4.494 1.00 0.00 O ATOM 412 CB ARG A 26 -4.145 -12.160 -1.249 1.00 0.00 C ATOM 413 CG ARG A 26 -5.500 -11.404 -1.159 1.00 0.00 C ATOM 414 CD ARG A 26 -5.882 -10.929 0.256 1.00 0.00 C ATOM 415 NE ARG A 26 -7.240 -11.331 0.608 1.00 0.00 N ATOM 416 CZ ARG A 26 -7.565 -12.617 0.862 1.00 0.00 C ATOM 417 NH1 ARG A 26 -6.663 -13.585 0.748 1.00 0.00 N ATOM 418 NH2 ARG A 26 -8.804 -12.917 1.227 1.00 0.00 N ATOM 0 H ARG A 26 -2.451 -10.330 -1.477 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.685 -12.885 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.354 -13.225 -1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.547 -11.868 -0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.461 -10.538 -1.820 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.289 -12.056 -1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.180 -11.341 0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.797 -9.844 0.312 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.967 -10.618 0.664 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.709 -13.362 0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.924 -14.551 0.943 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.503 -12.179 1.314 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.058 -13.886 1.421 1.00 0.00 H new ATOM 432 N GLN A 27 -4.434 -10.460 -3.954 1.00 0.00 N ATOM 433 CA GLN A 27 -5.275 -10.015 -5.054 1.00 0.00 C ATOM 434 C GLN A 27 -4.588 -10.179 -6.416 1.00 0.00 C ATOM 435 O GLN A 27 -5.185 -10.675 -7.366 1.00 0.00 O ATOM 436 CB GLN A 27 -5.700 -8.549 -4.816 1.00 0.00 C ATOM 437 CG GLN A 27 -6.495 -8.357 -3.512 1.00 0.00 C ATOM 438 CD GLN A 27 -7.097 -6.945 -3.390 1.00 0.00 C ATOM 439 OE1 GLN A 27 -6.591 -5.969 -3.928 1.00 0.00 O ATOM 440 NE2 GLN A 27 -8.214 -6.909 -2.645 1.00 0.00 N ATOM 0 H GLN A 27 -4.100 -9.708 -3.351 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.162 -10.648 -5.081 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.811 -7.919 -4.789 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.305 -8.211 -5.657 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.296 -9.095 -3.467 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.841 -8.544 -2.661 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.577 -7.766 -2.228 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.700 -6.024 -2.497 1.00 0.00 H new ATOM 449 N LEU A 28 -3.303 -9.768 -6.459 1.00 0.00 N ATOM 450 CA LEU A 28 -2.595 -9.853 -7.727 1.00 0.00 C ATOM 451 C LEU A 28 -2.251 -11.293 -8.093 1.00 0.00 C ATOM 452 O LEU A 28 -2.458 -11.706 -9.226 1.00 0.00 O ATOM 453 CB LEU A 28 -1.364 -8.952 -7.666 1.00 0.00 C ATOM 454 CG LEU A 28 -1.776 -7.515 -7.358 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.565 -6.753 -6.837 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.344 -6.859 -8.618 1.00 0.00 C ATOM 0 H LEU A 28 -2.770 -9.396 -5.673 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.245 -9.501 -8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.678 -9.313 -6.900 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.830 -8.989 -8.615 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.553 -7.501 -6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.850 -5.725 -6.614 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.196 -7.232 -5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.220 -6.756 -7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.637 -5.833 -8.394 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.585 -6.857 -9.401 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.215 -7.419 -8.959 1.00 0.00 H new ATOM 468 N LEU A 29 -1.751 -12.027 -7.068 1.00 0.00 N ATOM 469 CA LEU A 29 -1.331 -13.417 -7.190 1.00 0.00 C ATOM 470 C LEU A 29 -2.456 -14.331 -7.690 1.00 0.00 C ATOM 471 O LEU A 29 -2.187 -15.435 -8.152 1.00 0.00 O ATOM 472 CB LEU A 29 -0.789 -13.900 -5.843 1.00 0.00 C ATOM 473 CG LEU A 29 0.574 -13.274 -5.511 1.00 0.00 C ATOM 474 CD1 LEU A 29 0.862 -13.425 -4.017 1.00 0.00 C ATOM 475 CD2 LEU A 29 1.684 -13.931 -6.346 1.00 0.00 C ATOM 0 H LEU A 29 -1.633 -11.651 -6.127 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.544 -13.467 -7.942 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.502 -13.653 -5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.695 -14.986 -5.859 1.00 0.00 H new ATOM 0 HG LEU A 29 0.547 -12.213 -5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.830 -12.980 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.084 -12.920 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.878 -14.483 -3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.643 -13.476 -6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.721 -14.998 -6.126 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.476 -13.786 -7.406 1.00 0.00 H new ATOM 487 N ALA A 30 -3.712 -13.838 -7.589 1.00 0.00 N ATOM 488 CA ALA A 30 -4.835 -14.618 -8.087 1.00 0.00 C ATOM 489 C ALA A 30 -4.611 -14.932 -9.589 1.00 0.00 C ATOM 490 O ALA A 30 -4.099 -14.104 -10.334 1.00 0.00 O ATOM 491 CB ALA A 30 -6.120 -13.801 -7.920 1.00 0.00 C ATOM 0 H ALA A 30 -3.954 -12.935 -7.180 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.918 -15.551 -7.530 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.968 -14.377 -8.290 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.270 -13.571 -6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.037 -12.873 -8.485 1.00 0.00 H new ATOM 497 N PRO A 31 -5.029 -16.162 -10.007 1.00 0.00 N ATOM 498 CA PRO A 31 -4.880 -16.620 -11.395 1.00 0.00 C ATOM 499 C PRO A 31 -5.714 -15.830 -12.428 1.00 0.00 C ATOM 500 O PRO A 31 -5.679 -16.085 -13.625 1.00 0.00 O ATOM 501 CB PRO A 31 -5.310 -18.093 -11.347 1.00 0.00 C ATOM 502 CG PRO A 31 -6.203 -18.193 -10.112 1.00 0.00 C ATOM 503 CD PRO A 31 -5.658 -17.157 -9.144 1.00 0.00 C ATOM 0 HA PRO A 31 -3.856 -16.468 -11.737 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.849 -18.378 -12.250 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.448 -18.755 -11.268 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.245 -17.990 -10.361 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.168 -19.193 -9.680 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.453 -16.717 -8.541 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.939 -17.596 -8.452 1.00 0.00 H new ATOM 511 N MET A 32 -6.456 -14.851 -11.876 1.00 0.00 N ATOM 512 CA MET A 32 -7.312 -13.957 -12.608 1.00 0.00 C ATOM 513 C MET A 32 -6.520 -12.912 -13.422 1.00 0.00 C ATOM 514 O MET A 32 -6.973 -12.454 -14.464 1.00 0.00 O ATOM 515 CB MET A 32 -8.111 -13.219 -11.536 1.00 0.00 C ATOM 516 CG MET A 32 -9.017 -14.105 -10.674 1.00 0.00 C ATOM 517 SD MET A 32 -10.213 -13.116 -9.750 1.00 0.00 S ATOM 518 CE MET A 32 -9.130 -12.363 -8.519 1.00 0.00 C ATOM 0 H MET A 32 -6.461 -14.672 -10.872 1.00 0.00 H new ATOM 0 HA MET A 32 -7.920 -14.517 -13.318 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.414 -12.694 -10.882 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.726 -12.461 -12.021 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.544 -14.817 -11.309 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.409 -14.686 -9.981 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.652 -11.541 -8.030 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.851 -13.109 -7.775 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.232 -11.984 -9.007 1.00 0.00 H new ATOM 528 N ASN A 33 -5.328 -12.566 -12.867 1.00 0.00 N ATOM 529 CA ASN A 33 -4.465 -11.539 -13.461 1.00 0.00 C ATOM 530 C ASN A 33 -2.995 -11.992 -13.580 1.00 0.00 C ATOM 531 O ASN A 33 -2.626 -13.121 -13.277 1.00 0.00 O ATOM 532 CB ASN A 33 -4.533 -10.277 -12.578 1.00 0.00 C ATOM 533 CG ASN A 33 -5.965 -9.944 -12.154 1.00 0.00 C ATOM 534 OD1 ASN A 33 -6.365 -10.139 -11.015 1.00 0.00 O ATOM 535 ND2 ASN A 33 -6.706 -9.427 -13.140 1.00 0.00 N ATOM 0 H ASN A 33 -4.955 -12.986 -12.016 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.824 -11.343 -14.471 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.918 -10.423 -11.690 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.111 -9.432 -13.122 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.676 -9.166 -12.965 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.301 -9.294 -14.067 1.00 0.00 H new ATOM 542 N LYS A 34 -2.186 -11.010 -14.042 1.00 0.00 N ATOM 543 CA LYS A 34 -0.759 -11.227 -14.227 1.00 0.00 C ATOM 544 C LYS A 34 -0.009 -9.896 -14.155 1.00 0.00 C ATOM 545 O LYS A 34 -0.601 -8.833 -14.033 1.00 0.00 O ATOM 546 CB LYS A 34 -0.515 -11.939 -15.575 1.00 0.00 C ATOM 547 CG LYS A 34 -0.299 -11.070 -16.818 1.00 0.00 C ATOM 548 CD LYS A 34 -1.532 -10.270 -17.175 1.00 0.00 C ATOM 549 CE LYS A 34 -1.317 -9.466 -18.463 1.00 0.00 C ATOM 550 NZ LYS A 34 -2.493 -8.719 -18.894 1.00 0.00 N ATOM 0 H LYS A 34 -2.507 -10.073 -14.287 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.380 -11.865 -13.429 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.358 -12.581 -15.460 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.367 -12.591 -15.767 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.535 -10.391 -16.644 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.023 -11.705 -17.660 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.381 -10.942 -17.300 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.779 -9.593 -16.357 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.491 -8.770 -18.312 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.019 -10.147 -19.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.488 -8.632 -19.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.353 -9.221 -18.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.478 -7.771 -18.467 1.00 0.00 H new ATOM 564 N ALA A 35 1.326 -10.048 -14.271 1.00 0.00 N ATOM 565 CA ALA A 35 2.306 -8.969 -14.278 1.00 0.00 C ATOM 566 C ALA A 35 1.780 -7.755 -15.064 1.00 0.00 C ATOM 567 O ALA A 35 1.510 -7.835 -16.257 1.00 0.00 O ATOM 568 CB ALA A 35 3.566 -9.502 -14.969 1.00 0.00 C ATOM 0 H ALA A 35 1.757 -10.968 -14.366 1.00 0.00 H new ATOM 0 HA ALA A 35 2.511 -8.650 -13.256 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.325 -8.721 -14.994 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.947 -10.361 -14.418 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.322 -9.804 -15.988 1.00 0.00 H new ATOM 574 N GLY A 36 1.641 -6.647 -14.306 1.00 0.00 N ATOM 575 CA GLY A 36 1.137 -5.399 -14.854 1.00 0.00 C ATOM 576 C GLY A 36 -0.132 -4.951 -14.130 1.00 0.00 C ATOM 577 O GLY A 36 -0.421 -3.769 -14.000 1.00 0.00 O ATOM 0 H GLY A 36 1.875 -6.605 -13.314 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.901 -4.626 -14.767 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.928 -5.523 -15.917 1.00 0.00 H new ATOM 581 N SER A 37 -0.876 -5.975 -13.664 1.00 0.00 N ATOM 582 CA SER A 37 -2.034 -5.754 -12.813 1.00 0.00 C ATOM 583 C SER A 37 -1.385 -5.330 -11.481 1.00 0.00 C ATOM 584 O SER A 37 -0.429 -5.972 -11.044 1.00 0.00 O ATOM 585 CB SER A 37 -2.826 -7.086 -12.629 1.00 0.00 C ATOM 586 OG SER A 37 -2.141 -8.247 -12.013 1.00 0.00 O ATOM 0 H SER A 37 -0.686 -6.956 -13.869 1.00 0.00 H new ATOM 0 HA SER A 37 -2.742 -5.026 -13.209 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.707 -6.865 -12.026 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.182 -7.396 -13.611 1.00 0.00 H new ATOM 0 HG SER A 37 -1.530 -8.650 -12.665 1.00 0.00 H new ATOM 592 N PHE A 38 -1.894 -4.203 -10.920 1.00 0.00 N ATOM 593 CA PHE A 38 -1.322 -3.624 -9.698 1.00 0.00 C ATOM 594 C PHE A 38 -2.437 -3.331 -8.625 1.00 0.00 C ATOM 595 O PHE A 38 -3.632 -3.519 -8.828 1.00 0.00 O ATOM 596 CB PHE A 38 -0.683 -2.243 -10.086 1.00 0.00 C ATOM 597 CG PHE A 38 0.672 -2.178 -10.766 1.00 0.00 C ATOM 598 CD1 PHE A 38 1.189 -3.155 -11.602 1.00 0.00 C ATOM 599 CD2 PHE A 38 1.477 -1.069 -10.521 1.00 0.00 C ATOM 600 CE1 PHE A 38 2.462 -3.040 -12.135 1.00 0.00 C ATOM 601 CE2 PHE A 38 2.780 -0.976 -10.990 1.00 0.00 C ATOM 602 CZ PHE A 38 3.284 -1.980 -11.797 1.00 0.00 C ATOM 0 H PHE A 38 -2.691 -3.689 -11.297 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.600 -4.326 -9.282 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.393 -1.733 -10.737 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.611 -1.655 -9.171 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.589 -4.020 -11.842 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.072 -0.250 -9.944 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.819 -3.790 -12.826 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.395 -0.128 -10.727 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.301 -1.937 -12.157 1.00 0.00 H new ATOM 612 N LEU A 39 -1.867 -2.833 -7.492 1.00 0.00 N ATOM 613 CA LEU A 39 -2.378 -2.340 -6.197 1.00 0.00 C ATOM 614 C LEU A 39 -1.476 -1.184 -5.768 1.00 0.00 C ATOM 615 O LEU A 39 -0.273 -1.347 -5.885 1.00 0.00 O ATOM 616 CB LEU A 39 -2.124 -3.325 -5.031 1.00 0.00 C ATOM 617 CG LEU A 39 -3.172 -4.367 -4.685 1.00 0.00 C ATOM 618 CD1 LEU A 39 -4.002 -3.764 -3.559 1.00 0.00 C ATOM 619 CD2 LEU A 39 -4.055 -4.843 -5.805 1.00 0.00 C ATOM 0 H LEU A 39 -0.850 -2.761 -7.478 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.438 -2.134 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.197 -3.855 -5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.948 -2.730 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.645 -5.280 -4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.779 -4.469 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.358 -3.553 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.464 -2.838 -3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.758 -5.584 -5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.607 -3.998 -6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.442 -5.292 -6.586 1.00 0.00 H new ATOM 631 N ILE A 40 -2.044 -0.078 -5.215 1.00 0.00 N ATOM 632 CA ILE A 40 -1.108 0.967 -4.777 1.00 0.00 C ATOM 633 C ILE A 40 -1.684 1.283 -3.358 1.00 0.00 C ATOM 634 O ILE A 40 -2.647 2.021 -3.213 1.00 0.00 O ATOM 635 CB ILE A 40 -1.113 2.102 -5.851 1.00 0.00 C ATOM 636 CG1 ILE A 40 0.225 2.819 -6.024 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.989 3.295 -5.460 1.00 0.00 C ATOM 638 CD1 ILE A 40 0.339 3.295 -7.488 1.00 0.00 C ATOM 0 H ILE A 40 -3.039 0.097 -5.075 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.046 0.738 -4.695 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.439 1.548 -6.731 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.291 3.668 -5.343 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.049 2.149 -5.778 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.950 4.048 -6.247 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.018 2.962 -5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.623 3.725 -4.528 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.289 3.810 -7.630 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.289 2.435 -8.155 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.481 3.977 -7.714 1.00 0.00 H new ATOM 650 N ARG A 41 -1.107 0.627 -2.322 1.00 0.00 N ATOM 651 CA ARG A 41 -1.621 0.785 -0.964 1.00 0.00 C ATOM 652 C ARG A 41 -1.047 2.046 -0.295 1.00 0.00 C ATOM 653 O ARG A 41 0.109 2.381 -0.491 1.00 0.00 O ATOM 654 CB ARG A 41 -1.338 -0.526 -0.199 1.00 0.00 C ATOM 655 CG ARG A 41 0.129 -0.811 0.158 1.00 0.00 C ATOM 656 CD ARG A 41 0.542 -0.300 1.547 1.00 0.00 C ATOM 657 NE ARG A 41 -0.121 -1.059 2.604 1.00 0.00 N ATOM 658 CZ ARG A 41 -0.046 -0.720 3.912 1.00 0.00 C ATOM 659 NH1 ARG A 41 0.620 0.350 4.317 1.00 0.00 N ATOM 660 NH2 ARG A 41 -0.653 -1.470 4.817 1.00 0.00 N ATOM 0 H ARG A 41 -0.306 0.001 -2.408 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.699 0.948 -0.965 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.917 -0.513 0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.711 -1.357 -0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.302 -1.886 0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.771 -0.352 -0.593 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.623 -0.380 1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.289 0.756 1.640 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.665 -1.882 2.345 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.094 0.944 3.636 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.659 0.581 5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.173 -2.298 4.527 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.601 -1.220 5.805 1.00 0.00 H new ATOM 674 N GLU A 42 -1.914 2.729 0.493 1.00 0.00 N ATOM 675 CA GLU A 42 -1.467 3.946 1.188 1.00 0.00 C ATOM 676 C GLU A 42 -0.608 3.575 2.398 1.00 0.00 C ATOM 677 O GLU A 42 -0.742 2.469 2.903 1.00 0.00 O ATOM 678 CB GLU A 42 -2.662 4.815 1.653 1.00 0.00 C ATOM 679 CG GLU A 42 -3.213 4.523 3.057 1.00 0.00 C ATOM 680 CD GLU A 42 -4.400 5.444 3.410 1.00 0.00 C ATOM 681 OE1 GLU A 42 -4.154 6.597 3.757 1.00 0.00 O ATOM 682 OE2 GLU A 42 -5.549 5.003 3.342 1.00 0.00 O ATOM 0 H GLU A 42 -2.886 2.467 0.655 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.879 4.529 0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.359 5.861 1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.473 4.693 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.531 3.482 3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.420 4.654 3.793 1.00 0.00 H new ATOM 689 N SER A 43 0.287 4.501 2.832 1.00 0.00 N ATOM 690 CA SER A 43 1.002 4.154 4.063 1.00 0.00 C ATOM 691 C SER A 43 0.102 4.660 5.209 1.00 0.00 C ATOM 692 O SER A 43 -0.493 5.726 5.136 1.00 0.00 O ATOM 693 CB SER A 43 2.392 4.825 4.245 1.00 0.00 C ATOM 694 OG SER A 43 2.919 5.013 5.625 1.00 0.00 O ATOM 0 H SER A 43 0.508 5.397 2.397 1.00 0.00 H new ATOM 0 HA SER A 43 1.193 3.081 4.042 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.120 4.233 3.691 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.351 5.805 3.770 1.00 0.00 H new ATOM 0 HG SER A 43 3.798 5.443 5.584 1.00 0.00 H new ATOM 700 N GLU A 44 0.030 3.840 6.260 1.00 0.00 N ATOM 701 CA GLU A 44 -0.814 4.166 7.405 1.00 0.00 C ATOM 702 C GLU A 44 -0.002 4.814 8.561 1.00 0.00 C ATOM 703 O GLU A 44 -0.221 4.546 9.736 1.00 0.00 O ATOM 704 CB GLU A 44 -1.515 2.869 7.802 1.00 0.00 C ATOM 705 CG GLU A 44 -0.561 1.660 7.925 1.00 0.00 C ATOM 706 CD GLU A 44 -1.256 0.385 8.440 1.00 0.00 C ATOM 707 OE1 GLU A 44 -1.837 0.424 9.527 1.00 0.00 O ATOM 708 OE2 GLU A 44 -1.198 -0.640 7.755 1.00 0.00 O ATOM 0 H GLU A 44 0.538 2.959 6.340 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.555 4.924 7.152 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.023 3.018 8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.283 2.641 7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.118 1.455 6.951 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.256 1.918 8.599 1.00 0.00 H new ATOM 715 N SER A 45 0.943 5.686 8.137 1.00 0.00 N ATOM 716 CA SER A 45 1.848 6.393 9.044 1.00 0.00 C ATOM 717 C SER A 45 2.632 7.488 8.292 1.00 0.00 C ATOM 718 O SER A 45 3.689 7.926 8.730 1.00 0.00 O ATOM 719 CB SER A 45 2.937 5.354 9.419 1.00 0.00 C ATOM 720 OG SER A 45 3.799 4.835 8.318 1.00 0.00 O ATOM 0 H SER A 45 1.091 5.912 7.153 1.00 0.00 H new ATOM 0 HA SER A 45 1.281 6.817 9.873 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.586 5.803 10.171 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.443 4.504 9.890 1.00 0.00 H new ATOM 0 HG SER A 45 3.349 4.972 7.458 1.00 0.00 H new ATOM 726 N ASN A 46 2.069 7.886 7.137 1.00 0.00 N ATOM 727 CA ASN A 46 2.723 8.837 6.249 1.00 0.00 C ATOM 728 C ASN A 46 2.150 10.257 6.222 1.00 0.00 C ATOM 729 O ASN A 46 1.163 10.616 6.851 1.00 0.00 O ATOM 730 CB ASN A 46 2.524 8.288 4.828 1.00 0.00 C ATOM 731 CG ASN A 46 1.047 8.038 4.392 1.00 0.00 C ATOM 732 OD1 ASN A 46 0.813 7.396 3.387 1.00 0.00 O ATOM 733 ND2 ASN A 46 0.056 8.551 5.136 1.00 0.00 N ATOM 0 H ASN A 46 1.162 7.558 6.805 1.00 0.00 H new ATOM 0 HA ASN A 46 3.749 8.927 6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.977 8.986 4.124 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.071 7.349 4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.916 8.405 4.862 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.274 9.087 5.976 1.00 0.00 H new ATOM 740 N LYS A 47 2.912 11.011 5.401 1.00 0.00 N ATOM 741 CA LYS A 47 2.643 12.379 5.007 1.00 0.00 C ATOM 742 C LYS A 47 2.022 12.465 3.590 1.00 0.00 C ATOM 743 O LYS A 47 2.339 13.337 2.791 1.00 0.00 O ATOM 744 CB LYS A 47 3.765 13.332 5.420 1.00 0.00 C ATOM 745 CG LYS A 47 4.903 13.383 4.447 1.00 0.00 C ATOM 746 CD LYS A 47 5.636 12.048 4.341 1.00 0.00 C ATOM 747 CE LYS A 47 6.905 12.194 3.524 1.00 0.00 C ATOM 748 NZ LYS A 47 6.650 12.312 2.092 1.00 0.00 N ATOM 0 H LYS A 47 3.769 10.649 4.984 1.00 0.00 H new ATOM 0 HA LYS A 47 1.825 12.797 5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.353 14.335 5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.146 13.029 6.395 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.525 13.666 3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.606 14.157 4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.880 11.682 5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.984 11.306 3.880 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.450 13.074 3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.547 11.332 3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.550 12.256 1.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.025 11.539 1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.193 13.225 1.895 1.00 0.00 H new ATOM 762 N GLY A 48 1.115 11.488 3.348 1.00 0.00 N ATOM 763 CA GLY A 48 0.402 11.357 2.076 1.00 0.00 C ATOM 764 C GLY A 48 1.045 10.344 1.115 1.00 0.00 C ATOM 765 O GLY A 48 0.808 10.368 -0.089 1.00 0.00 O ATOM 0 H GLY A 48 0.865 10.776 4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.627 11.056 2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.360 12.332 1.590 1.00 0.00 H new ATOM 769 N ALA A 49 1.854 9.445 1.721 1.00 0.00 N ATOM 770 CA ALA A 49 2.573 8.437 0.922 1.00 0.00 C ATOM 771 C ALA A 49 1.683 7.242 0.522 1.00 0.00 C ATOM 772 O ALA A 49 0.532 7.111 0.913 1.00 0.00 O ATOM 773 CB ALA A 49 3.800 7.922 1.701 1.00 0.00 C ATOM 0 H ALA A 49 2.020 9.399 2.726 1.00 0.00 H new ATOM 0 HA ALA A 49 2.887 8.932 0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.325 7.178 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.471 8.754 1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.473 7.470 2.637 1.00 0.00 H new ATOM 779 N PHE A 50 2.308 6.393 -0.314 1.00 0.00 N ATOM 780 CA PHE A 50 1.685 5.182 -0.837 1.00 0.00 C ATOM 781 C PHE A 50 2.799 4.098 -0.944 1.00 0.00 C ATOM 782 O PHE A 50 3.898 4.259 -0.429 1.00 0.00 O ATOM 783 CB PHE A 50 0.922 5.492 -2.165 1.00 0.00 C ATOM 784 CG PHE A 50 -0.500 5.962 -1.955 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.796 7.285 -1.633 1.00 0.00 C ATOM 786 CD2 PHE A 50 -1.555 5.064 -2.078 1.00 0.00 C ATOM 787 CE1 PHE A 50 -2.105 7.692 -1.413 1.00 0.00 C ATOM 788 CE2 PHE A 50 -2.866 5.470 -1.872 1.00 0.00 C ATOM 789 CZ PHE A 50 -3.143 6.784 -1.535 1.00 0.00 C ATOM 0 H PHE A 50 3.263 6.536 -0.642 1.00 0.00 H new ATOM 0 HA PHE A 50 0.913 4.789 -0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.469 6.255 -2.718 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.911 4.595 -2.785 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.005 8.005 -1.553 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.351 4.036 -2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.314 8.718 -1.147 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.672 4.759 -1.975 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.163 7.099 -1.368 1.00 0.00 H new ATOM 799 N SER A 51 2.441 2.992 -1.622 1.00 0.00 N ATOM 800 CA SER A 51 3.299 1.833 -1.891 1.00 0.00 C ATOM 801 C SER A 51 2.701 1.126 -3.115 1.00 0.00 C ATOM 802 O SER A 51 1.687 1.591 -3.613 1.00 0.00 O ATOM 803 CB SER A 51 3.412 0.922 -0.634 1.00 0.00 C ATOM 804 OG SER A 51 3.306 1.532 0.716 1.00 0.00 O ATOM 0 H SER A 51 1.505 2.881 -2.012 1.00 0.00 H new ATOM 0 HA SER A 51 4.326 2.124 -2.111 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.637 0.159 -0.711 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.372 0.408 -0.687 1.00 0.00 H new ATOM 0 HG SER A 51 3.395 0.834 1.398 1.00 0.00 H new ATOM 810 N LEU A 52 3.307 0.007 -3.578 1.00 0.00 N ATOM 811 CA LEU A 52 2.748 -0.604 -4.795 1.00 0.00 C ATOM 812 C LEU A 52 3.181 -2.076 -4.911 1.00 0.00 C ATOM 813 O LEU A 52 4.347 -2.404 -4.771 1.00 0.00 O ATOM 814 CB LEU A 52 3.373 0.283 -5.914 1.00 0.00 C ATOM 815 CG LEU A 52 2.983 0.129 -7.393 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.469 0.097 -7.577 1.00 0.00 C ATOM 817 CD2 LEU A 52 3.591 1.297 -8.210 1.00 0.00 C ATOM 0 H LEU A 52 4.116 -0.456 -3.165 1.00 0.00 H new ATOM 0 HA LEU A 52 1.659 -0.632 -4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.171 1.319 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.453 0.144 -5.858 1.00 0.00 H new ATOM 0 HG LEU A 52 3.378 -0.821 -7.752 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.233 -0.013 -8.636 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.053 -0.745 -7.023 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.037 1.026 -7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.315 1.189 -9.259 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.209 2.244 -7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.677 1.280 -8.117 1.00 0.00 H new ATOM 829 N SER A 53 2.159 -2.926 -5.157 1.00 0.00 N ATOM 830 CA SER A 53 2.273 -4.376 -5.310 1.00 0.00 C ATOM 831 C SER A 53 2.005 -4.682 -6.811 1.00 0.00 C ATOM 832 O SER A 53 1.050 -4.167 -7.376 1.00 0.00 O ATOM 833 CB SER A 53 1.244 -5.013 -4.318 1.00 0.00 C ATOM 834 OG SER A 53 0.909 -4.295 -3.061 1.00 0.00 O ATOM 0 H SER A 53 1.198 -2.598 -5.257 1.00 0.00 H new ATOM 0 HA SER A 53 3.250 -4.793 -5.066 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.314 -5.168 -4.865 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.620 -5.998 -4.043 1.00 0.00 H new ATOM 0 HG SER A 53 0.989 -4.910 -2.302 1.00 0.00 H new ATOM 840 N VAL A 54 2.891 -5.504 -7.431 1.00 0.00 N ATOM 841 CA VAL A 54 2.783 -5.858 -8.864 1.00 0.00 C ATOM 842 C VAL A 54 3.136 -7.333 -9.009 1.00 0.00 C ATOM 843 O VAL A 54 4.058 -7.754 -8.341 1.00 0.00 O ATOM 844 CB VAL A 54 3.830 -5.065 -9.659 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.819 -5.421 -11.156 1.00 0.00 C ATOM 846 CG2 VAL A 54 3.689 -3.584 -9.316 1.00 0.00 C ATOM 0 H VAL A 54 3.687 -5.932 -6.958 1.00 0.00 H new ATOM 0 HA VAL A 54 1.778 -5.642 -9.226 1.00 0.00 H new ATOM 0 HB VAL A 54 4.839 -5.352 -9.362 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.577 -4.834 -11.675 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.035 -6.482 -11.279 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.838 -5.199 -11.576 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.428 -3.009 -9.875 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.688 -3.243 -9.581 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.850 -3.441 -8.248 1.00 0.00 H new ATOM 856 N LYS A 55 2.480 -8.098 -9.917 1.00 0.00 N ATOM 857 CA LYS A 55 2.836 -9.533 -9.932 1.00 0.00 C ATOM 858 C LYS A 55 4.146 -9.869 -10.686 1.00 0.00 C ATOM 859 O LYS A 55 4.152 -9.868 -11.909 1.00 0.00 O ATOM 860 CB LYS A 55 1.646 -10.228 -10.582 1.00 0.00 C ATOM 861 CG LYS A 55 1.585 -11.761 -10.558 1.00 0.00 C ATOM 862 CD LYS A 55 0.113 -12.178 -10.504 1.00 0.00 C ATOM 863 CE LYS A 55 -0.188 -13.675 -10.563 1.00 0.00 C ATOM 864 NZ LYS A 55 -0.258 -14.228 -11.912 1.00 0.00 N ATOM 0 H LYS A 55 1.773 -7.787 -10.584 1.00 0.00 H new ATOM 0 HA LYS A 55 3.034 -9.868 -8.914 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.742 -9.854 -10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.608 -9.912 -11.624 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.065 -12.175 -11.445 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.123 -12.150 -9.693 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.317 -11.782 -9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.406 -11.695 -11.332 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.581 -14.209 -10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.136 -13.862 -10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.661 -15.186 -11.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.861 -13.622 -12.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.698 -14.271 -12.320 1.00 0.00 H new ATOM 878 N ASP A 56 5.251 -10.173 -9.932 1.00 0.00 N ATOM 879 CA ASP A 56 6.479 -10.547 -10.650 1.00 0.00 C ATOM 880 C ASP A 56 6.436 -12.045 -11.010 1.00 0.00 C ATOM 881 O ASP A 56 6.617 -12.925 -10.180 1.00 0.00 O ATOM 882 CB ASP A 56 7.760 -10.093 -9.931 1.00 0.00 C ATOM 883 CG ASP A 56 9.051 -10.853 -10.300 1.00 0.00 C ATOM 884 OD1 ASP A 56 9.305 -11.065 -11.485 1.00 0.00 O ATOM 885 OD2 ASP A 56 9.797 -11.217 -9.392 1.00 0.00 O ATOM 0 H ASP A 56 5.305 -10.165 -8.913 1.00 0.00 H new ATOM 0 HA ASP A 56 6.518 -9.997 -11.590 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.914 -9.034 -10.140 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.602 -10.187 -8.857 1.00 0.00 H new ATOM 890 N ILE A 57 6.190 -12.242 -12.321 1.00 0.00 N ATOM 891 CA ILE A 57 6.123 -13.577 -12.905 1.00 0.00 C ATOM 892 C ILE A 57 7.493 -13.914 -13.516 1.00 0.00 C ATOM 893 O ILE A 57 7.922 -13.351 -14.516 1.00 0.00 O ATOM 894 CB ILE A 57 4.977 -13.639 -13.919 1.00 0.00 C ATOM 895 CG1 ILE A 57 3.678 -13.153 -13.249 1.00 0.00 C ATOM 896 CG2 ILE A 57 4.823 -15.061 -14.487 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.424 -13.392 -14.073 1.00 0.00 C ATOM 0 H ILE A 57 6.036 -11.486 -12.988 1.00 0.00 H new ATOM 0 HA ILE A 57 5.906 -14.330 -12.148 1.00 0.00 H new ATOM 0 HB ILE A 57 5.202 -12.983 -14.760 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.569 -13.655 -12.288 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.766 -12.086 -13.043 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.003 -15.079 -15.205 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.747 -15.356 -14.984 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.610 -15.756 -13.675 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.555 -13.021 -13.529 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.508 -12.867 -15.024 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.308 -14.460 -14.257 1.00 0.00 H new ATOM 909 N THR A 58 8.129 -14.875 -12.821 1.00 0.00 N ATOM 910 CA THR A 58 9.463 -15.355 -13.162 1.00 0.00 C ATOM 911 C THR A 58 9.543 -16.867 -12.939 1.00 0.00 C ATOM 912 O THR A 58 8.664 -17.471 -12.336 1.00 0.00 O ATOM 913 CB THR A 58 10.505 -14.632 -12.259 1.00 0.00 C ATOM 914 OG1 THR A 58 11.879 -15.108 -12.409 1.00 0.00 O ATOM 915 CG2 THR A 58 9.992 -14.462 -10.788 1.00 0.00 C ATOM 0 H THR A 58 7.723 -15.336 -12.006 1.00 0.00 H new ATOM 0 HA THR A 58 9.674 -15.143 -14.210 1.00 0.00 H new ATOM 0 HB THR A 58 10.590 -13.615 -12.641 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.501 -14.373 -12.228 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.751 -13.953 -10.194 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.076 -13.872 -10.788 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.792 -15.443 -10.357 1.00 0.00 H new ATOM 923 N THR A 59 10.661 -17.442 -13.452 1.00 0.00 N ATOM 924 CA THR A 59 10.872 -18.883 -13.302 1.00 0.00 C ATOM 925 C THR A 59 11.219 -19.264 -11.850 1.00 0.00 C ATOM 926 O THR A 59 11.297 -20.442 -11.526 1.00 0.00 O ATOM 927 CB THR A 59 11.924 -19.492 -14.286 1.00 0.00 C ATOM 928 OG1 THR A 59 12.251 -20.912 -14.109 1.00 0.00 O ATOM 929 CG2 THR A 59 13.189 -18.599 -14.450 1.00 0.00 C ATOM 0 H THR A 59 11.397 -16.943 -13.952 1.00 0.00 H new ATOM 0 HA THR A 59 9.913 -19.325 -13.570 1.00 0.00 H new ATOM 0 HB THR A 59 11.390 -19.485 -15.236 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.034 -21.186 -13.194 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.882 -19.074 -15.144 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.898 -17.623 -14.839 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.674 -18.474 -13.482 1.00 0.00 H new ATOM 937 N GLN A 60 11.423 -18.229 -10.997 1.00 0.00 N ATOM 938 CA GLN A 60 11.723 -18.508 -9.593 1.00 0.00 C ATOM 939 C GLN A 60 10.423 -18.649 -8.762 1.00 0.00 C ATOM 940 O GLN A 60 10.434 -19.205 -7.670 1.00 0.00 O ATOM 941 CB GLN A 60 12.649 -17.455 -8.977 1.00 0.00 C ATOM 942 CG GLN A 60 13.989 -17.306 -9.724 1.00 0.00 C ATOM 943 CD GLN A 60 14.022 -16.069 -10.626 1.00 0.00 C ATOM 944 OE1 GLN A 60 13.623 -14.982 -10.233 1.00 0.00 O ATOM 945 NE2 GLN A 60 14.516 -16.297 -11.852 1.00 0.00 N ATOM 0 H GLN A 60 11.386 -17.242 -11.251 1.00 0.00 H new ATOM 0 HA GLN A 60 12.254 -19.459 -9.567 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.137 -16.493 -8.968 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.848 -17.720 -7.939 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.801 -17.245 -8.999 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.166 -18.197 -10.327 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.830 -17.233 -12.109 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.577 -15.535 -12.527 1.00 0.00 H new ATOM 954 N GLY A 61 9.318 -18.120 -9.340 1.00 0.00 N ATOM 955 CA GLY A 61 8.018 -18.188 -8.684 1.00 0.00 C ATOM 956 C GLY A 61 7.170 -16.943 -8.964 1.00 0.00 C ATOM 957 O GLY A 61 7.674 -15.836 -9.112 1.00 0.00 O ATOM 0 H GLY A 61 9.313 -17.651 -10.246 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.485 -19.075 -9.026 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.159 -18.296 -7.609 1.00 0.00 H new ATOM 961 N GLU A 62 5.846 -17.203 -9.019 1.00 0.00 N ATOM 962 CA GLU A 62 4.877 -16.149 -9.255 1.00 0.00 C ATOM 963 C GLU A 62 4.664 -15.390 -7.925 1.00 0.00 C ATOM 964 O GLU A 62 3.924 -15.820 -7.049 1.00 0.00 O ATOM 965 CB GLU A 62 3.583 -16.824 -9.738 1.00 0.00 C ATOM 966 CG GLU A 62 2.814 -15.908 -10.679 1.00 0.00 C ATOM 967 CD GLU A 62 1.502 -16.546 -11.176 1.00 0.00 C ATOM 968 OE1 GLU A 62 0.597 -16.743 -10.366 1.00 0.00 O ATOM 969 OE2 GLU A 62 1.382 -16.806 -12.372 1.00 0.00 O ATOM 0 H GLU A 62 5.441 -18.132 -8.902 1.00 0.00 H new ATOM 0 HA GLU A 62 5.208 -15.433 -10.007 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.823 -17.757 -10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.959 -17.079 -8.881 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.589 -14.972 -10.168 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.442 -15.661 -11.535 1.00 0.00 H new ATOM 976 N VAL A 63 5.380 -14.254 -7.833 1.00 0.00 N ATOM 977 CA VAL A 63 5.351 -13.407 -6.647 1.00 0.00 C ATOM 978 C VAL A 63 4.647 -12.093 -7.019 1.00 0.00 C ATOM 979 O VAL A 63 3.911 -12.003 -7.994 1.00 0.00 O ATOM 980 CB VAL A 63 6.822 -13.149 -6.230 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.552 -14.442 -5.844 1.00 0.00 C ATOM 982 CG2 VAL A 63 7.596 -12.382 -7.321 1.00 0.00 C ATOM 0 H VAL A 63 5.987 -13.908 -8.576 1.00 0.00 H new ATOM 0 HA VAL A 63 4.814 -13.870 -5.819 1.00 0.00 H new ATOM 0 HB VAL A 63 6.786 -12.521 -5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.578 -14.209 -5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.040 -14.912 -5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.557 -15.125 -6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.623 -12.220 -6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.597 -12.963 -8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.116 -11.420 -7.499 1.00 0.00 H new ATOM 992 N VAL A 64 4.949 -11.088 -6.169 1.00 0.00 N ATOM 993 CA VAL A 64 4.494 -9.718 -6.330 1.00 0.00 C ATOM 994 C VAL A 64 5.802 -8.894 -6.366 1.00 0.00 C ATOM 995 O VAL A 64 6.866 -9.441 -6.605 1.00 0.00 O ATOM 996 CB VAL A 64 3.398 -9.339 -5.296 1.00 0.00 C ATOM 997 CG1 VAL A 64 2.658 -8.006 -5.520 1.00 0.00 C ATOM 998 CG2 VAL A 64 2.272 -10.340 -5.388 1.00 0.00 C ATOM 0 H VAL A 64 5.528 -11.224 -5.340 1.00 0.00 H new ATOM 0 HA VAL A 64 3.941 -9.515 -7.247 1.00 0.00 H new ATOM 0 HB VAL A 64 3.957 -9.294 -4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.921 -7.862 -4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.374 -7.185 -5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.154 -8.027 -6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.497 -10.083 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.851 -10.323 -6.393 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.654 -11.338 -5.171 1.00 0.00 H new ATOM 1008 N LYS A 65 5.674 -7.582 -6.166 1.00 0.00 N ATOM 1009 CA LYS A 65 6.807 -6.639 -6.144 1.00 0.00 C ATOM 1010 C LYS A 65 6.396 -5.379 -5.377 1.00 0.00 C ATOM 1011 O LYS A 65 5.402 -4.756 -5.715 1.00 0.00 O ATOM 1012 CB LYS A 65 7.217 -6.137 -7.542 1.00 0.00 C ATOM 1013 CG LYS A 65 7.800 -7.182 -8.483 1.00 0.00 C ATOM 1014 CD LYS A 65 9.170 -7.727 -8.035 1.00 0.00 C ATOM 1015 CE LYS A 65 10.218 -7.738 -9.159 1.00 0.00 C ATOM 1016 NZ LYS A 65 11.264 -8.734 -8.942 1.00 0.00 N ATOM 0 H LYS A 65 4.771 -7.132 -6.012 1.00 0.00 H new ATOM 0 HA LYS A 65 7.635 -7.185 -5.692 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.342 -5.696 -8.019 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.949 -5.339 -7.419 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.099 -8.012 -8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.900 -6.747 -9.477 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.541 -7.122 -7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.043 -8.741 -7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.724 -7.937 -10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.672 -6.750 -9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.944 -8.700 -9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.756 -8.531 -8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.837 -9.681 -8.895 1.00 0.00 H new ATOM 1030 N HIS A 66 7.225 -5.024 -4.372 1.00 0.00 N ATOM 1031 CA HIS A 66 6.948 -3.841 -3.560 1.00 0.00 C ATOM 1032 C HIS A 66 7.853 -2.659 -3.974 1.00 0.00 C ATOM 1033 O HIS A 66 9.045 -2.819 -4.207 1.00 0.00 O ATOM 1034 CB HIS A 66 7.160 -4.190 -2.082 1.00 0.00 C ATOM 1035 CG HIS A 66 6.253 -5.339 -1.708 1.00 0.00 C ATOM 1036 ND1 HIS A 66 6.675 -6.464 -1.095 1.00 0.00 N ATOM 1037 CD2 HIS A 66 4.869 -5.447 -1.932 1.00 0.00 C ATOM 1038 CE1 HIS A 66 5.583 -7.233 -0.950 1.00 0.00 C ATOM 1039 NE2 HIS A 66 4.479 -6.644 -1.444 1.00 0.00 N ATOM 0 H HIS A 66 8.071 -5.533 -4.115 1.00 0.00 H new ATOM 0 HA HIS A 66 5.915 -3.533 -3.719 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.201 -4.460 -1.906 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.945 -3.323 -1.457 1.00 0.00 H new ATOM 0 HD1 HIS A 66 7.627 -6.685 -0.802 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.237 -4.711 -2.406 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.591 -8.210 -0.490 1.00 0.00 H new ATOM 1047 N TYR A 67 7.198 -1.475 -4.047 1.00 0.00 N ATOM 1048 CA TYR A 67 7.854 -0.208 -4.397 1.00 0.00 C ATOM 1049 C TYR A 67 7.421 0.833 -3.352 1.00 0.00 C ATOM 1050 O TYR A 67 6.389 0.693 -2.706 1.00 0.00 O ATOM 1051 CB TYR A 67 7.492 0.284 -5.813 1.00 0.00 C ATOM 1052 CG TYR A 67 7.648 -0.789 -6.852 1.00 0.00 C ATOM 1053 CD1 TYR A 67 6.632 -1.710 -7.042 1.00 0.00 C ATOM 1054 CD2 TYR A 67 8.800 -0.892 -7.619 1.00 0.00 C ATOM 1055 CE1 TYR A 67 6.760 -2.740 -7.951 1.00 0.00 C ATOM 1056 CE2 TYR A 67 8.936 -1.915 -8.554 1.00 0.00 C ATOM 1057 CZ TYR A 67 7.905 -2.845 -8.741 1.00 0.00 C ATOM 1058 OH TYR A 67 8.020 -3.866 -9.682 1.00 0.00 O ATOM 0 H TYR A 67 6.199 -1.380 -3.863 1.00 0.00 H new ATOM 0 HA TYR A 67 8.934 -0.358 -4.397 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.463 0.643 -5.817 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.126 1.132 -6.073 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.722 -1.621 -6.468 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.596 -0.174 -7.490 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.969 -3.469 -8.052 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.841 -1.992 -9.138 1.00 0.00 H new ATOM 0 HH TYR A 67 8.319 -3.491 -10.537 1.00 0.00 H new ATOM 1068 N LYS A 68 8.275 1.873 -3.240 1.00 0.00 N ATOM 1069 CA LYS A 68 8.054 2.952 -2.283 1.00 0.00 C ATOM 1070 C LYS A 68 7.765 4.298 -2.976 1.00 0.00 C ATOM 1071 O LYS A 68 8.627 4.908 -3.592 1.00 0.00 O ATOM 1072 CB LYS A 68 9.250 3.013 -1.316 1.00 0.00 C ATOM 1073 CG LYS A 68 10.528 3.565 -1.959 1.00 0.00 C ATOM 1074 CD LYS A 68 10.703 5.076 -1.713 1.00 0.00 C ATOM 1075 CE LYS A 68 11.665 5.412 -0.571 1.00 0.00 C ATOM 1076 NZ LYS A 68 11.449 4.563 0.595 1.00 0.00 N ATOM 0 H LYS A 68 9.119 1.978 -3.804 1.00 0.00 H new ATOM 0 HA LYS A 68 7.155 2.742 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.985 3.635 -0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.449 2.012 -0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.391 3.032 -1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.503 3.375 -3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.065 5.544 -2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.729 5.514 -1.495 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.692 5.297 -0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.539 6.457 -0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.944 4.968 1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.431 4.505 0.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.818 3.610 0.404 1.00 0.00 H new ATOM 1090 N ILE A 69 6.489 4.710 -2.841 1.00 0.00 N ATOM 1091 CA ILE A 69 6.019 5.994 -3.356 1.00 0.00 C ATOM 1092 C ILE A 69 5.862 6.981 -2.196 1.00 0.00 C ATOM 1093 O ILE A 69 5.024 6.842 -1.319 1.00 0.00 O ATOM 1094 CB ILE A 69 4.778 5.968 -4.276 1.00 0.00 C ATOM 1095 CG1 ILE A 69 3.791 4.823 -4.018 1.00 0.00 C ATOM 1096 CG2 ILE A 69 4.991 6.331 -5.742 1.00 0.00 C ATOM 1097 CD1 ILE A 69 3.512 3.933 -5.223 1.00 0.00 C ATOM 0 H ILE A 69 5.767 4.161 -2.375 1.00 0.00 H new ATOM 0 HA ILE A 69 6.797 6.329 -4.042 1.00 0.00 H new ATOM 0 HB ILE A 69 4.242 6.849 -3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.179 4.204 -3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.848 5.246 -3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.041 6.273 -6.273 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.384 7.345 -5.812 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.700 5.635 -6.190 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.804 3.153 -4.943 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.091 4.534 -6.029 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.442 3.475 -5.560 1.00 0.00 H new ATOM 1109 N ARG A 70 6.750 7.976 -2.268 1.00 0.00 N ATOM 1110 CA ARG A 70 6.768 9.056 -1.306 1.00 0.00 C ATOM 1111 C ARG A 70 6.145 10.264 -1.979 1.00 0.00 C ATOM 1112 O ARG A 70 6.490 10.585 -3.103 1.00 0.00 O ATOM 1113 CB ARG A 70 8.198 9.413 -1.006 1.00 0.00 C ATOM 1114 CG ARG A 70 8.879 8.422 -0.070 1.00 0.00 C ATOM 1115 CD ARG A 70 9.829 9.232 0.791 1.00 0.00 C ATOM 1116 NE ARG A 70 10.720 8.423 1.621 1.00 0.00 N ATOM 1117 CZ ARG A 70 10.332 7.808 2.760 1.00 0.00 C ATOM 1118 NH1 ARG A 70 9.066 7.826 3.164 1.00 0.00 N ATOM 1119 NH2 ARG A 70 11.236 7.170 3.493 1.00 0.00 N ATOM 0 H ARG A 70 7.466 8.047 -2.991 1.00 0.00 H new ATOM 0 HA ARG A 70 6.240 8.769 -0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.757 9.464 -1.940 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.232 10.407 -0.560 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.145 7.901 0.545 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.419 7.662 -0.635 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.432 9.871 0.146 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.246 9.890 1.436 1.00 0.00 H new ATOM 0 HE ARG A 70 11.690 8.317 1.323 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.361 8.312 2.610 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.800 7.354 4.028 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.211 7.148 3.195 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.956 6.702 4.355 1.00 0.00 H new ATOM 1133 N SER A 71 5.237 10.896 -1.229 1.00 0.00 N ATOM 1134 CA SER A 71 4.577 12.100 -1.720 1.00 0.00 C ATOM 1135 C SER A 71 5.406 13.285 -1.207 1.00 0.00 C ATOM 1136 O SER A 71 5.470 13.547 -0.010 1.00 0.00 O ATOM 1137 CB SER A 71 3.163 12.168 -1.104 1.00 0.00 C ATOM 1138 OG SER A 71 3.047 12.115 0.372 1.00 0.00 O ATOM 0 H SER A 71 4.949 10.598 -0.297 1.00 0.00 H new ATOM 0 HA SER A 71 4.499 12.110 -2.807 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.694 13.092 -1.443 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.579 11.345 -1.515 1.00 0.00 H new ATOM 0 HG SER A 71 3.822 12.558 0.777 1.00 0.00 H new ATOM 1144 N LEU A 72 6.048 13.958 -2.179 1.00 0.00 N ATOM 1145 CA LEU A 72 6.940 15.067 -1.879 1.00 0.00 C ATOM 1146 C LEU A 72 6.231 16.408 -1.960 1.00 0.00 C ATOM 1147 O LEU A 72 5.208 16.608 -2.605 1.00 0.00 O ATOM 1148 CB LEU A 72 8.185 15.071 -2.785 1.00 0.00 C ATOM 1149 CG LEU A 72 8.636 13.697 -3.237 1.00 0.00 C ATOM 1150 CD1 LEU A 72 8.778 12.735 -2.046 1.00 0.00 C ATOM 1151 CD2 LEU A 72 7.814 13.212 -4.448 1.00 0.00 C ATOM 0 H LEU A 72 5.959 13.746 -3.173 1.00 0.00 H new ATOM 0 HA LEU A 72 7.269 14.918 -0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.977 15.679 -3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.005 15.552 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 72 9.651 13.743 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.103 11.758 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.515 13.129 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.817 12.635 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.160 12.224 -4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.760 13.160 -4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.940 13.909 -5.276 1.00 0.00 H new ATOM 1163 N ASP A 73 6.945 17.295 -1.255 1.00 0.00 N ATOM 1164 CA ASP A 73 6.607 18.699 -1.085 1.00 0.00 C ATOM 1165 C ASP A 73 6.535 19.488 -2.411 1.00 0.00 C ATOM 1166 O ASP A 73 5.867 20.510 -2.493 1.00 0.00 O ATOM 1167 CB ASP A 73 7.667 19.320 -0.160 1.00 0.00 C ATOM 1168 CG ASP A 73 9.101 19.156 -0.709 1.00 0.00 C ATOM 1169 OD1 ASP A 73 9.719 18.124 -0.444 1.00 0.00 O ATOM 1170 OD2 ASP A 73 9.579 20.058 -1.396 1.00 0.00 O ATOM 0 H ASP A 73 7.805 17.036 -0.772 1.00 0.00 H new ATOM 0 HA ASP A 73 5.606 18.757 -0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.452 20.380 -0.027 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.603 18.855 0.824 1.00 0.00 H new ATOM 1175 N ASN A 74 7.248 18.960 -3.437 1.00 0.00 N ATOM 1176 CA ASN A 74 7.281 19.637 -4.737 1.00 0.00 C ATOM 1177 C ASN A 74 5.995 19.441 -5.554 1.00 0.00 C ATOM 1178 O ASN A 74 5.699 20.185 -6.481 1.00 0.00 O ATOM 1179 CB ASN A 74 8.577 19.314 -5.514 1.00 0.00 C ATOM 1180 CG ASN A 74 8.544 18.067 -6.418 1.00 0.00 C ATOM 1181 OD1 ASN A 74 9.008 18.093 -7.549 1.00 0.00 O ATOM 1182 ND2 ASN A 74 7.980 16.981 -5.871 1.00 0.00 N ATOM 0 H ASN A 74 7.788 18.096 -3.385 1.00 0.00 H new ATOM 0 HA ASN A 74 7.309 20.708 -4.538 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.828 20.176 -6.131 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.385 19.191 -4.793 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.921 16.114 -6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.610 17.022 -4.921 1.00 0.00 H new ATOM 1189 N GLY A 75 5.267 18.397 -5.129 1.00 0.00 N ATOM 1190 CA GLY A 75 4.012 18.033 -5.762 1.00 0.00 C ATOM 1191 C GLY A 75 4.270 16.921 -6.765 1.00 0.00 C ATOM 1192 O GLY A 75 4.279 17.118 -7.973 1.00 0.00 O ATOM 0 H GLY A 75 5.535 17.797 -4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.293 17.704 -5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.577 18.898 -6.262 1.00 0.00 H new ATOM 1196 N GLY A 76 4.500 15.745 -6.149 1.00 0.00 N ATOM 1197 CA GLY A 76 4.774 14.533 -6.877 1.00 0.00 C ATOM 1198 C GLY A 76 4.867 13.321 -5.956 1.00 0.00 C ATOM 1199 O GLY A 76 4.685 13.389 -4.748 1.00 0.00 O ATOM 0 H GLY A 76 4.497 15.629 -5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.989 14.368 -7.615 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.709 14.644 -7.426 1.00 0.00 H new ATOM 1203 N TYR A 77 5.152 12.216 -6.661 1.00 0.00 N ATOM 1204 CA TYR A 77 5.321 10.877 -6.119 1.00 0.00 C ATOM 1205 C TYR A 77 6.471 10.238 -6.877 1.00 0.00 C ATOM 1206 O TYR A 77 6.424 10.080 -8.093 1.00 0.00 O ATOM 1207 CB TYR A 77 4.097 9.963 -6.308 1.00 0.00 C ATOM 1208 CG TYR A 77 2.928 10.333 -5.444 1.00 0.00 C ATOM 1209 CD1 TYR A 77 2.102 11.385 -5.796 1.00 0.00 C ATOM 1210 CD2 TYR A 77 2.620 9.590 -4.316 1.00 0.00 C ATOM 1211 CE1 TYR A 77 0.943 11.661 -5.085 1.00 0.00 C ATOM 1212 CE2 TYR A 77 1.472 9.851 -3.585 1.00 0.00 C ATOM 1213 CZ TYR A 77 0.602 10.873 -3.980 1.00 0.00 C ATOM 1214 OH TYR A 77 -0.589 11.089 -3.301 1.00 0.00 O ATOM 0 H TYR A 77 5.275 12.243 -7.673 1.00 0.00 H new ATOM 0 HA TYR A 77 5.487 10.978 -5.046 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.789 9.995 -7.353 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.386 8.934 -6.092 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.364 12.004 -6.641 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.283 8.797 -4.002 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.306 12.481 -5.383 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.248 9.263 -2.707 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.664 10.451 -2.561 1.00 0.00 H new ATOM 1224 N TYR A 78 7.494 9.885 -6.074 1.00 0.00 N ATOM 1225 CA TYR A 78 8.683 9.258 -6.648 1.00 0.00 C ATOM 1226 C TYR A 78 8.836 7.820 -6.120 1.00 0.00 C ATOM 1227 O TYR A 78 8.504 7.517 -4.984 1.00 0.00 O ATOM 1228 CB TYR A 78 9.968 10.078 -6.337 1.00 0.00 C ATOM 1229 CG TYR A 78 10.669 9.742 -5.043 1.00 0.00 C ATOM 1230 CD1 TYR A 78 11.528 8.652 -4.992 1.00 0.00 C ATOM 1231 CD2 TYR A 78 10.473 10.489 -3.890 1.00 0.00 C ATOM 1232 CE1 TYR A 78 12.146 8.264 -3.819 1.00 0.00 C ATOM 1233 CE2 TYR A 78 11.109 10.131 -2.709 1.00 0.00 C ATOM 1234 CZ TYR A 78 11.940 9.006 -2.652 1.00 0.00 C ATOM 1235 OH TYR A 78 12.516 8.623 -1.446 1.00 0.00 O ATOM 0 H TYR A 78 7.517 10.020 -5.063 1.00 0.00 H new ATOM 0 HA TYR A 78 8.554 9.233 -7.730 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.673 9.937 -7.156 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.705 11.136 -6.321 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.718 8.092 -5.895 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.824 11.352 -3.911 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.784 7.393 -3.803 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.961 10.729 -1.822 1.00 0.00 H new ATOM 0 HH TYR A 78 12.444 9.358 -0.801 1.00 0.00 H new ATOM 1245 N ILE A 79 9.375 6.985 -7.029 1.00 0.00 N ATOM 1246 CA ILE A 79 9.727 5.575 -6.743 1.00 0.00 C ATOM 1247 C ILE A 79 11.238 5.449 -6.906 1.00 0.00 C ATOM 1248 O ILE A 79 11.940 4.855 -6.097 1.00 0.00 O ATOM 1249 CB ILE A 79 8.820 4.494 -7.354 1.00 0.00 C ATOM 1250 CG1 ILE A 79 8.186 4.964 -8.659 1.00 0.00 C ATOM 1251 CG2 ILE A 79 7.811 3.904 -6.363 1.00 0.00 C ATOM 1252 CD1 ILE A 79 7.443 3.835 -9.368 1.00 0.00 C ATOM 0 H ILE A 79 9.581 7.268 -7.987 1.00 0.00 H new ATOM 0 HA ILE A 79 9.485 5.328 -5.709 1.00 0.00 H new ATOM 0 HB ILE A 79 9.469 3.655 -7.606 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.494 5.781 -8.453 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.960 5.359 -9.317 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.207 3.149 -6.865 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.344 3.447 -5.530 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.163 4.696 -5.988 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.006 4.211 -10.293 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.140 3.029 -9.598 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.652 3.457 -8.720 1.00 0.00 H new ATOM 1264 N SER A 80 11.664 6.104 -7.995 1.00 0.00 N ATOM 1265 CA SER A 80 13.065 6.282 -8.309 1.00 0.00 C ATOM 1266 C SER A 80 13.131 7.809 -8.211 1.00 0.00 C ATOM 1267 O SER A 80 12.322 8.471 -8.846 1.00 0.00 O ATOM 1268 CB SER A 80 13.403 5.779 -9.741 1.00 0.00 C ATOM 1269 OG SER A 80 12.631 4.668 -10.349 1.00 0.00 O ATOM 0 H SER A 80 11.033 6.523 -8.678 1.00 0.00 H new ATOM 0 HA SER A 80 13.765 5.737 -7.676 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.318 6.634 -10.411 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.451 5.479 -9.738 1.00 0.00 H new ATOM 0 HG SER A 80 13.249 3.996 -10.704 1.00 0.00 H new ATOM 1275 N PRO A 81 14.058 8.389 -7.408 1.00 0.00 N ATOM 1276 CA PRO A 81 14.094 9.845 -7.267 1.00 0.00 C ATOM 1277 C PRO A 81 14.329 10.627 -8.574 1.00 0.00 C ATOM 1278 O PRO A 81 14.048 11.815 -8.656 1.00 0.00 O ATOM 1279 CB PRO A 81 15.192 10.090 -6.223 1.00 0.00 C ATOM 1280 CG PRO A 81 15.449 8.737 -5.561 1.00 0.00 C ATOM 1281 CD PRO A 81 15.042 7.695 -6.587 1.00 0.00 C ATOM 0 HA PRO A 81 13.119 10.224 -6.961 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.098 10.474 -6.692 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.875 10.830 -5.489 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.498 8.628 -5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.868 8.632 -4.645 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.894 7.361 -7.179 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.617 6.810 -6.113 1.00 0.00 H new ATOM 1289 N ARG A 82 14.805 9.876 -9.594 1.00 0.00 N ATOM 1290 CA ARG A 82 15.052 10.461 -10.910 1.00 0.00 C ATOM 1291 C ARG A 82 13.728 10.688 -11.693 1.00 0.00 C ATOM 1292 O ARG A 82 13.682 11.491 -12.617 1.00 0.00 O ATOM 1293 CB ARG A 82 16.143 9.672 -11.660 1.00 0.00 C ATOM 1294 CG ARG A 82 15.836 8.207 -12.020 1.00 0.00 C ATOM 1295 CD ARG A 82 14.850 8.077 -13.181 1.00 0.00 C ATOM 1296 NE ARG A 82 15.171 6.941 -14.044 1.00 0.00 N ATOM 1297 CZ ARG A 82 14.652 5.704 -13.894 1.00 0.00 C ATOM 1298 NH1 ARG A 82 13.824 5.415 -12.901 1.00 0.00 N ATOM 1299 NH2 ARG A 82 14.978 4.759 -14.765 1.00 0.00 N ATOM 0 H ARG A 82 15.019 8.881 -9.523 1.00 0.00 H new ATOM 0 HA ARG A 82 15.461 11.464 -10.793 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.370 10.205 -12.583 1.00 0.00 H new ATOM 0 HB3 ARG A 82 17.048 9.687 -11.052 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.765 7.699 -12.279 1.00 0.00 H new ATOM 0 HG3 ARG A 82 15.429 7.700 -11.145 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.840 7.961 -12.788 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.859 8.994 -13.770 1.00 0.00 H new ATOM 0 HE ARG A 82 15.829 7.093 -14.808 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.565 6.135 -12.227 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.446 4.472 -12.810 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.613 4.972 -15.535 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.594 3.819 -14.665 1.00 0.00 H new ATOM 1313 N ILE A 83 12.667 9.958 -11.264 1.00 0.00 N ATOM 1314 CA ILE A 83 11.324 10.069 -11.839 1.00 0.00 C ATOM 1315 C ILE A 83 10.264 10.300 -10.748 1.00 0.00 C ATOM 1316 O ILE A 83 10.109 9.555 -9.781 1.00 0.00 O ATOM 1317 CB ILE A 83 10.909 8.939 -12.759 1.00 0.00 C ATOM 1318 CG1 ILE A 83 11.072 7.564 -12.115 1.00 0.00 C ATOM 1319 CG2 ILE A 83 11.554 9.084 -14.150 1.00 0.00 C ATOM 1320 CD1 ILE A 83 10.685 6.521 -13.142 1.00 0.00 C ATOM 0 H ILE A 83 12.731 9.277 -10.507 1.00 0.00 H new ATOM 0 HA ILE A 83 11.384 10.945 -12.484 1.00 0.00 H new ATOM 0 HB ILE A 83 9.835 9.020 -12.928 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.101 7.415 -11.789 1.00 0.00 H new ATOM 0 HG13 ILE A 83 10.442 7.480 -11.230 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.236 8.258 -14.786 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.243 10.028 -14.599 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.639 9.069 -14.051 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.792 5.527 -12.709 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.649 6.675 -13.445 1.00 0.00 H new ATOM 0 HD13 ILE A 83 11.335 6.609 -14.013 1.00 0.00 H new ATOM 1332 N THR A 84 9.538 11.398 -11.037 1.00 0.00 N ATOM 1333 CA THR A 84 8.472 11.853 -10.172 1.00 0.00 C ATOM 1334 C THR A 84 7.341 12.367 -11.077 1.00 0.00 C ATOM 1335 O THR A 84 7.564 12.850 -12.182 1.00 0.00 O ATOM 1336 CB THR A 84 9.051 13.014 -9.314 1.00 0.00 C ATOM 1337 OG1 THR A 84 10.483 13.050 -8.978 1.00 0.00 O ATOM 1338 CG2 THR A 84 8.293 13.036 -7.978 1.00 0.00 C ATOM 0 H THR A 84 9.683 11.974 -11.866 1.00 0.00 H new ATOM 0 HA THR A 84 8.089 11.067 -9.521 1.00 0.00 H new ATOM 0 HB THR A 84 8.921 13.871 -9.975 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.672 13.845 -8.438 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.679 13.842 -7.354 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.231 13.198 -8.165 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.430 12.084 -7.466 1.00 0.00 H new ATOM 1346 N PHE A 85 6.133 12.214 -10.517 1.00 0.00 N ATOM 1347 CA PHE A 85 4.873 12.589 -11.187 1.00 0.00 C ATOM 1348 C PHE A 85 3.920 13.178 -10.118 1.00 0.00 C ATOM 1349 O PHE A 85 3.887 12.666 -9.012 1.00 0.00 O ATOM 1350 CB PHE A 85 4.292 11.343 -11.886 1.00 0.00 C ATOM 1351 CG PHE A 85 5.161 10.884 -13.038 1.00 0.00 C ATOM 1352 CD1 PHE A 85 6.228 10.024 -12.805 1.00 0.00 C ATOM 1353 CD2 PHE A 85 4.938 11.328 -14.342 1.00 0.00 C ATOM 1354 CE1 PHE A 85 7.067 9.636 -13.840 1.00 0.00 C ATOM 1355 CE2 PHE A 85 5.773 10.926 -15.384 1.00 0.00 C ATOM 1356 CZ PHE A 85 6.845 10.079 -15.129 1.00 0.00 C ATOM 0 H PHE A 85 5.998 11.826 -9.583 1.00 0.00 H new ATOM 0 HA PHE A 85 5.027 13.347 -11.955 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.192 10.534 -11.162 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.291 11.567 -12.254 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.406 9.653 -11.806 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.110 11.990 -14.546 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.901 8.981 -13.636 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.587 11.273 -16.390 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.498 9.770 -15.932 1.00 0.00 H new ATOM 1366 N PRO A 86 3.115 14.235 -10.473 1.00 0.00 N ATOM 1367 CA PRO A 86 2.224 14.939 -9.520 1.00 0.00 C ATOM 1368 C PRO A 86 1.252 14.070 -8.709 1.00 0.00 C ATOM 1369 O PRO A 86 0.791 14.466 -7.646 1.00 0.00 O ATOM 1370 CB PRO A 86 1.456 15.953 -10.391 1.00 0.00 C ATOM 1371 CG PRO A 86 1.640 15.472 -11.833 1.00 0.00 C ATOM 1372 CD PRO A 86 2.973 14.726 -11.844 1.00 0.00 C ATOM 0 HA PRO A 86 2.837 15.382 -8.735 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.401 15.985 -10.119 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.849 16.961 -10.260 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.822 14.819 -12.137 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.653 16.311 -12.529 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.966 13.907 -12.563 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.797 15.385 -12.120 1.00 0.00 H new ATOM 1380 N THR A 87 0.989 12.870 -9.242 1.00 0.00 N ATOM 1381 CA THR A 87 0.121 11.929 -8.556 1.00 0.00 C ATOM 1382 C THR A 87 0.430 10.580 -9.137 1.00 0.00 C ATOM 1383 O THR A 87 1.129 10.459 -10.138 1.00 0.00 O ATOM 1384 CB THR A 87 -1.403 12.185 -8.681 1.00 0.00 C ATOM 1385 OG1 THR A 87 -2.323 11.279 -7.986 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.784 12.501 -10.136 1.00 0.00 C ATOM 0 H THR A 87 1.362 12.539 -10.132 1.00 0.00 H new ATOM 0 HA THR A 87 0.325 12.026 -7.490 1.00 0.00 H new ATOM 0 HB THR A 87 -1.569 13.076 -8.076 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.247 11.561 -8.152 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.858 12.677 -10.201 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.249 13.391 -10.467 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.515 11.659 -10.774 1.00 0.00 H new ATOM 1394 N LEU A 88 -0.161 9.568 -8.468 1.00 0.00 N ATOM 1395 CA LEU A 88 0.051 8.246 -8.996 1.00 0.00 C ATOM 1396 C LEU A 88 -0.536 8.168 -10.423 1.00 0.00 C ATOM 1397 O LEU A 88 0.075 7.523 -11.247 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.599 7.104 -8.188 1.00 0.00 C ATOM 1399 CG LEU A 88 0.049 6.633 -6.896 1.00 0.00 C ATOM 1400 CD1 LEU A 88 1.415 6.033 -7.066 1.00 0.00 C ATOM 1401 CD2 LEU A 88 0.183 7.618 -5.793 1.00 0.00 C ATOM 0 H LEU A 88 -0.739 9.645 -7.631 1.00 0.00 H new ATOM 0 HA LEU A 88 1.131 8.101 -8.958 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.617 7.413 -7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.675 6.240 -8.848 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.695 5.889 -6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.801 5.725 -6.094 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.352 5.165 -7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.085 6.772 -7.505 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.662 7.143 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.790 8.459 -6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.805 7.977 -5.503 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.659 8.870 -10.754 1.00 0.00 N ATOM 1414 CA GLN A 89 -2.162 8.584 -12.128 1.00 0.00 C ATOM 1415 C GLN A 89 -1.167 8.867 -13.281 1.00 0.00 C ATOM 1416 O GLN A 89 -1.146 8.125 -14.252 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.600 9.040 -12.477 1.00 0.00 C ATOM 1418 CG GLN A 89 -4.098 10.372 -11.920 1.00 0.00 C ATOM 1419 CD GLN A 89 -3.647 11.657 -12.643 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -4.079 12.751 -12.309 1.00 0.00 O ATOM 1421 NE2 GLN A 89 -2.782 11.486 -13.651 1.00 0.00 N ATOM 0 H GLN A 89 -2.171 9.543 -10.184 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.245 7.500 -12.050 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.679 9.085 -13.563 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.285 8.263 -12.139 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -5.188 10.351 -11.920 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.780 10.442 -10.880 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.453 10.550 -13.888 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.452 12.292 -14.182 1.00 0.00 H new ATOM 1430 N ALA A 90 -0.349 9.929 -13.138 1.00 0.00 N ATOM 1431 CA ALA A 90 0.608 10.261 -14.201 1.00 0.00 C ATOM 1432 C ALA A 90 1.819 9.297 -14.220 1.00 0.00 C ATOM 1433 O ALA A 90 2.561 9.211 -15.190 1.00 0.00 O ATOM 1434 CB ALA A 90 1.038 11.724 -14.038 1.00 0.00 C ATOM 0 H ALA A 90 -0.332 10.548 -12.328 1.00 0.00 H new ATOM 0 HA ALA A 90 0.122 10.137 -15.169 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.749 11.984 -14.822 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.164 12.371 -14.113 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.507 11.859 -13.063 1.00 0.00 H new ATOM 1440 N LEU A 91 1.956 8.580 -13.095 1.00 0.00 N ATOM 1441 CA LEU A 91 2.992 7.583 -12.868 1.00 0.00 C ATOM 1442 C LEU A 91 2.541 6.233 -13.485 1.00 0.00 C ATOM 1443 O LEU A 91 3.292 5.553 -14.171 1.00 0.00 O ATOM 1444 CB LEU A 91 3.262 7.640 -11.348 1.00 0.00 C ATOM 1445 CG LEU A 91 3.717 6.373 -10.621 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.511 6.726 -9.354 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.536 5.489 -10.239 1.00 0.00 C ATOM 0 H LEU A 91 1.326 8.687 -12.300 1.00 0.00 H new ATOM 0 HA LEU A 91 3.947 7.754 -13.364 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.019 8.405 -11.178 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.347 7.984 -10.865 1.00 0.00 H new ATOM 0 HG LEU A 91 4.356 5.823 -11.312 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.824 5.810 -8.854 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.391 7.309 -9.627 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.882 7.310 -8.682 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.899 4.599 -9.725 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.866 6.041 -9.580 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.997 5.193 -11.139 1.00 0.00 H new ATOM 1459 N VAL A 92 1.246 5.936 -13.246 1.00 0.00 N ATOM 1460 CA VAL A 92 0.559 4.742 -13.706 1.00 0.00 C ATOM 1461 C VAL A 92 0.113 4.891 -15.190 1.00 0.00 C ATOM 1462 O VAL A 92 -0.420 3.961 -15.782 1.00 0.00 O ATOM 1463 CB VAL A 92 -0.630 4.503 -12.736 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -1.272 3.141 -12.839 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -0.237 4.504 -11.267 1.00 0.00 C ATOM 0 H VAL A 92 0.640 6.554 -12.706 1.00 0.00 H new ATOM 0 HA VAL A 92 1.217 3.873 -13.692 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.285 5.321 -13.035 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.091 3.070 -12.123 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.658 2.996 -13.848 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.531 2.372 -12.620 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.121 4.331 -10.654 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.491 3.714 -11.085 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.201 5.468 -11.008 1.00 0.00 H new ATOM 1475 N GLN A 93 0.371 6.098 -15.762 1.00 0.00 N ATOM 1476 CA GLN A 93 0.009 6.370 -17.156 1.00 0.00 C ATOM 1477 C GLN A 93 1.210 5.985 -18.039 1.00 0.00 C ATOM 1478 O GLN A 93 1.113 5.252 -19.018 1.00 0.00 O ATOM 1479 CB GLN A 93 -0.485 7.815 -17.454 1.00 0.00 C ATOM 1480 CG GLN A 93 0.557 8.883 -17.861 1.00 0.00 C ATOM 1481 CD GLN A 93 -0.119 10.101 -18.505 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -0.109 10.258 -19.717 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -0.695 10.943 -17.638 1.00 0.00 N ATOM 0 H GLN A 93 0.820 6.877 -15.280 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.866 5.762 -17.385 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.226 7.754 -18.251 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.002 8.178 -16.566 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.120 9.199 -16.983 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.272 8.449 -18.560 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.663 10.746 -16.638 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.166 11.782 -17.978 1.00 0.00 H new ATOM 1492 N HIS A 94 2.357 6.534 -17.573 1.00 0.00 N ATOM 1493 CA HIS A 94 3.650 6.356 -18.212 1.00 0.00 C ATOM 1494 C HIS A 94 4.045 4.878 -18.195 1.00 0.00 C ATOM 1495 O HIS A 94 4.486 4.324 -19.195 1.00 0.00 O ATOM 1496 CB HIS A 94 4.680 7.223 -17.466 1.00 0.00 C ATOM 1497 CG HIS A 94 6.063 7.103 -18.073 1.00 0.00 C ATOM 1498 ND1 HIS A 94 7.199 7.159 -17.347 1.00 0.00 N ATOM 1499 CD2 HIS A 94 6.415 6.928 -19.424 1.00 0.00 C ATOM 1500 CE1 HIS A 94 8.206 7.023 -18.225 1.00 0.00 C ATOM 1501 NE2 HIS A 94 7.764 6.881 -19.488 1.00 0.00 N ATOM 0 H HIS A 94 2.394 7.115 -16.735 1.00 0.00 H new ATOM 0 HA HIS A 94 3.608 6.669 -19.255 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.362 8.265 -17.489 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.716 6.924 -16.418 1.00 0.00 H new ATOM 0 HD1 HIS A 94 7.277 7.280 -16.337 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.732 6.846 -20.257 1.00 0.00 H new ATOM 0 HE1 HIS A 94 9.250 7.027 -17.949 1.00 0.00 H new ATOM 1509 N TYR A 95 3.825 4.277 -17.004 1.00 0.00 N ATOM 1510 CA TYR A 95 4.169 2.872 -16.843 1.00 0.00 C ATOM 1511 C TYR A 95 3.226 1.948 -17.635 1.00 0.00 C ATOM 1512 O TYR A 95 3.617 0.836 -17.969 1.00 0.00 O ATOM 1513 CB TYR A 95 4.249 2.481 -15.365 1.00 0.00 C ATOM 1514 CG TYR A 95 5.201 3.308 -14.534 1.00 0.00 C ATOM 1515 CD1 TYR A 95 6.205 4.120 -15.065 1.00 0.00 C ATOM 1516 CD2 TYR A 95 5.055 3.266 -13.160 1.00 0.00 C ATOM 1517 CE1 TYR A 95 7.021 4.889 -14.240 1.00 0.00 C ATOM 1518 CE2 TYR A 95 5.862 4.022 -12.331 1.00 0.00 C ATOM 1519 CZ TYR A 95 6.848 4.861 -12.854 1.00 0.00 C ATOM 1520 OH TYR A 95 7.642 5.637 -12.009 1.00 0.00 O ATOM 0 H TYR A 95 3.428 4.730 -16.181 1.00 0.00 H new ATOM 0 HA TYR A 95 5.163 2.735 -17.268 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.252 2.557 -14.931 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.547 1.435 -15.298 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.351 4.152 -16.135 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.297 2.631 -12.727 1.00 0.00 H new ATOM 0 HE1 TYR A 95 7.791 5.510 -14.673 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.728 3.963 -11.261 1.00 0.00 H new ATOM 0 HH TYR A 95 7.070 6.135 -11.388 1.00 0.00 H new ATOM 1530 N SER A 96 1.986 2.440 -17.929 1.00 0.00 N ATOM 1531 CA SER A 96 1.070 1.588 -18.709 1.00 0.00 C ATOM 1532 C SER A 96 1.703 1.140 -20.045 1.00 0.00 C ATOM 1533 O SER A 96 1.630 -0.026 -20.414 1.00 0.00 O ATOM 1534 CB SER A 96 -0.287 2.295 -19.064 1.00 0.00 C ATOM 1535 OG SER A 96 -1.344 2.605 -18.072 1.00 0.00 O ATOM 0 H SER A 96 1.627 3.355 -17.657 1.00 0.00 H new ATOM 0 HA SER A 96 0.877 0.734 -18.059 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.023 3.243 -19.534 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.759 1.680 -19.830 1.00 0.00 H new ATOM 0 HG SER A 96 -0.948 3.073 -17.307 1.00 0.00 H new ATOM 1541 N LYS A 97 2.326 2.123 -20.731 1.00 0.00 N ATOM 1542 CA LYS A 97 2.925 1.815 -22.033 1.00 0.00 C ATOM 1543 C LYS A 97 4.413 1.434 -21.952 1.00 0.00 C ATOM 1544 O LYS A 97 4.904 0.677 -22.779 1.00 0.00 O ATOM 1545 CB LYS A 97 2.768 3.031 -22.967 1.00 0.00 C ATOM 1546 CG LYS A 97 1.342 3.258 -23.498 1.00 0.00 C ATOM 1547 CD LYS A 97 0.301 3.524 -22.405 1.00 0.00 C ATOM 1548 CE LYS A 97 -1.001 4.126 -22.940 1.00 0.00 C ATOM 1549 NZ LYS A 97 -1.684 3.225 -23.861 1.00 0.00 N ATOM 0 H LYS A 97 2.422 3.089 -20.419 1.00 0.00 H new ATOM 0 HA LYS A 97 2.396 0.945 -22.421 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.088 3.925 -22.432 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.441 2.909 -23.816 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.353 4.102 -24.187 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.036 2.383 -24.071 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.076 2.589 -21.892 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.728 4.200 -21.664 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.662 4.360 -22.105 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.784 5.066 -23.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.560 3.672 -24.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.064 3.022 -24.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.915 2.337 -23.371 1.00 0.00 H new ATOM 1563 N LYS A 98 5.103 1.984 -20.934 1.00 0.00 N ATOM 1564 CA LYS A 98 6.510 1.733 -20.745 1.00 0.00 C ATOM 1565 C LYS A 98 6.805 1.820 -19.240 1.00 0.00 C ATOM 1566 O LYS A 98 6.984 2.893 -18.683 1.00 0.00 O ATOM 1567 CB LYS A 98 7.233 2.707 -21.674 1.00 0.00 C ATOM 1568 CG LYS A 98 8.698 2.352 -21.880 1.00 0.00 C ATOM 1569 CD LYS A 98 9.601 2.740 -20.708 1.00 0.00 C ATOM 1570 CE LYS A 98 9.449 4.206 -20.346 1.00 0.00 C ATOM 1571 NZ LYS A 98 9.652 5.130 -21.461 1.00 0.00 N ATOM 0 H LYS A 98 4.690 2.605 -20.238 1.00 0.00 H new ATOM 0 HA LYS A 98 6.865 0.740 -21.020 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.729 2.722 -22.640 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.163 3.714 -21.262 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.781 1.279 -22.050 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.058 2.846 -22.782 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.359 2.124 -19.842 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.640 2.534 -20.965 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.451 4.365 -19.936 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.160 4.448 -19.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.648 6.108 -21.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.566 4.930 -21.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.887 5.010 -22.155 1.00 0.00 H new ATOM 1585 N GLY A 99 6.843 0.591 -18.649 1.00 0.00 N ATOM 1586 CA GLY A 99 7.079 0.299 -17.228 1.00 0.00 C ATOM 1587 C GLY A 99 8.114 1.197 -16.539 1.00 0.00 C ATOM 1588 O GLY A 99 7.974 1.572 -15.383 1.00 0.00 O ATOM 0 H GLY A 99 6.700 -0.260 -19.192 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.133 0.387 -16.694 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.403 -0.738 -17.136 1.00 0.00 H new ATOM 1592 N ASP A 100 9.165 1.486 -17.332 1.00 0.00 N ATOM 1593 CA ASP A 100 10.260 2.372 -16.943 1.00 0.00 C ATOM 1594 C ASP A 100 10.952 1.954 -15.630 1.00 0.00 C ATOM 1595 O ASP A 100 10.943 2.654 -14.623 1.00 0.00 O ATOM 1596 CB ASP A 100 9.722 3.812 -16.893 1.00 0.00 C ATOM 1597 CG ASP A 100 10.834 4.878 -16.870 1.00 0.00 C ATOM 1598 OD1 ASP A 100 11.802 4.740 -17.618 1.00 0.00 O ATOM 1599 OD2 ASP A 100 10.717 5.839 -16.113 1.00 0.00 O ATOM 0 H ASP A 100 9.271 1.101 -18.271 1.00 0.00 H new ATOM 0 HA ASP A 100 11.049 2.301 -17.692 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.082 3.983 -17.758 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.098 3.929 -16.007 1.00 0.00 H new ATOM 1604 N GLY A 101 11.551 0.756 -15.735 1.00 0.00 N ATOM 1605 CA GLY A 101 12.292 0.177 -14.618 1.00 0.00 C ATOM 1606 C GLY A 101 11.454 -0.725 -13.701 1.00 0.00 C ATOM 1607 O GLY A 101 11.995 -1.518 -12.942 1.00 0.00 O ATOM 0 H GLY A 101 11.533 0.180 -16.576 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.127 -0.402 -15.013 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.718 0.985 -14.023 1.00 0.00 H new ATOM 1611 N LEU A 102 10.113 -0.586 -13.820 1.00 0.00 N ATOM 1612 CA LEU A 102 9.206 -1.393 -13.007 1.00 0.00 C ATOM 1613 C LEU A 102 9.270 -2.892 -13.385 1.00 0.00 C ATOM 1614 O LEU A 102 8.833 -3.736 -12.613 1.00 0.00 O ATOM 1615 CB LEU A 102 7.766 -0.846 -13.148 1.00 0.00 C ATOM 1616 CG LEU A 102 7.424 0.418 -12.318 1.00 0.00 C ATOM 1617 CD1 LEU A 102 5.971 0.354 -11.838 1.00 0.00 C ATOM 1618 CD2 LEU A 102 8.321 0.644 -11.094 1.00 0.00 C ATOM 0 H LEU A 102 9.654 0.064 -14.458 1.00 0.00 H new ATOM 0 HA LEU A 102 9.520 -1.320 -11.966 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.587 -0.623 -14.200 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.071 -1.637 -12.867 1.00 0.00 H new ATOM 0 HG LEU A 102 7.593 1.254 -12.996 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.740 1.246 -11.256 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.305 0.301 -12.699 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.832 -0.531 -11.217 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.008 1.550 -10.576 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.237 -0.208 -10.419 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.357 0.750 -11.417 1.00 0.00 H new ATOM 1630 N CYS A 103 9.820 -3.146 -14.603 1.00 0.00 N ATOM 1631 CA CYS A 103 10.029 -4.453 -15.235 1.00 0.00 C ATOM 1632 C CYS A 103 8.722 -5.107 -15.732 1.00 0.00 C ATOM 1633 O CYS A 103 8.671 -5.652 -16.827 1.00 0.00 O ATOM 1634 CB CYS A 103 10.981 -5.388 -14.461 1.00 0.00 C ATOM 1635 SG CYS A 103 10.525 -5.896 -12.785 1.00 0.00 S ATOM 0 H CYS A 103 10.147 -2.385 -15.199 1.00 0.00 H new ATOM 0 HA CYS A 103 10.586 -4.245 -16.149 1.00 0.00 H new ATOM 0 HB2 CYS A 103 11.113 -6.292 -15.056 1.00 0.00 H new ATOM 0 HB3 CYS A 103 11.953 -4.898 -14.405 1.00 0.00 H new ATOM 0 HG CYS A 103 9.660 -5.057 -12.297 1.00 0.00 H new ATOM 1641 N GLN A 104 7.680 -5.017 -14.884 1.00 0.00 N ATOM 1642 CA GLN A 104 6.365 -5.539 -15.189 1.00 0.00 C ATOM 1643 C GLN A 104 5.477 -4.317 -15.318 1.00 0.00 C ATOM 1644 O GLN A 104 4.850 -3.821 -14.389 1.00 0.00 O ATOM 1645 CB GLN A 104 5.826 -6.471 -14.092 1.00 0.00 C ATOM 1646 CG GLN A 104 6.477 -7.863 -14.075 1.00 0.00 C ATOM 1647 CD GLN A 104 7.912 -7.820 -13.563 1.00 0.00 C ATOM 1648 OE1 GLN A 104 8.868 -8.054 -14.288 1.00 0.00 O ATOM 1649 NE2 GLN A 104 7.994 -7.494 -12.268 1.00 0.00 N ATOM 0 H GLN A 104 7.743 -4.575 -13.967 1.00 0.00 H new ATOM 0 HA GLN A 104 6.395 -6.144 -16.095 1.00 0.00 H new ATOM 0 HB2 GLN A 104 5.979 -5.999 -13.122 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.750 -6.586 -14.225 1.00 0.00 H new ATOM 0 HG2 GLN A 104 5.888 -8.530 -13.446 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.464 -8.281 -15.082 1.00 0.00 H new ATOM 0 HE21 GLN A 104 7.145 -7.314 -11.733 1.00 0.00 H new ATOM 0 HE22 GLN A 104 8.906 -7.426 -11.816 1.00 0.00 H new ATOM 1658 N LYS A 105 5.508 -3.882 -16.584 1.00 0.00 N ATOM 1659 CA LYS A 105 4.760 -2.755 -17.076 1.00 0.00 C ATOM 1660 C LYS A 105 3.292 -3.053 -16.809 1.00 0.00 C ATOM 1661 O LYS A 105 2.860 -4.199 -16.812 1.00 0.00 O ATOM 1662 CB LYS A 105 5.070 -2.583 -18.563 1.00 0.00 C ATOM 1663 CG LYS A 105 4.144 -3.345 -19.528 1.00 0.00 C ATOM 1664 CD LYS A 105 4.687 -3.389 -20.956 1.00 0.00 C ATOM 1665 CE LYS A 105 4.423 -2.061 -21.654 1.00 0.00 C ATOM 1666 NZ LYS A 105 4.834 -2.066 -23.054 1.00 0.00 N ATOM 0 H LYS A 105 6.076 -4.329 -17.303 1.00 0.00 H new ATOM 0 HA LYS A 105 5.022 -1.818 -16.584 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.023 -1.521 -18.805 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.096 -2.905 -18.742 1.00 0.00 H new ATOM 0 HG2 LYS A 105 4.006 -4.363 -19.165 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.162 -2.872 -19.532 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.757 -3.595 -20.941 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.214 -4.200 -21.509 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.360 -1.829 -21.593 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.953 -1.267 -21.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.987 -1.088 -23.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.717 -2.606 -23.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.091 -2.507 -23.632 1.00 0.00 H new ATOM 1680 N LEU A 106 2.582 -1.953 -16.582 1.00 0.00 N ATOM 1681 CA LEU A 106 1.174 -2.089 -16.234 1.00 0.00 C ATOM 1682 C LEU A 106 0.350 -2.636 -17.397 1.00 0.00 C ATOM 1683 O LEU A 106 0.688 -2.448 -18.559 1.00 0.00 O ATOM 1684 CB LEU A 106 0.563 -0.764 -15.754 1.00 0.00 C ATOM 1685 CG LEU A 106 1.564 0.153 -15.046 1.00 0.00 C ATOM 1686 CD1 LEU A 106 0.916 1.378 -14.413 1.00 0.00 C ATOM 1687 CD2 LEU A 106 2.246 -0.604 -13.946 1.00 0.00 C ATOM 0 H LEU A 106 2.938 -0.998 -16.629 1.00 0.00 H new ATOM 0 HA LEU A 106 1.139 -2.803 -15.411 1.00 0.00 H new ATOM 0 HB2 LEU A 106 0.143 -0.236 -16.610 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.262 -0.979 -15.075 1.00 0.00 H new ATOM 0 HG LEU A 106 2.262 0.488 -15.813 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.681 1.985 -13.928 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.421 1.967 -15.185 1.00 0.00 H new ATOM 0 HD13 LEU A 106 0.182 1.060 -13.672 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.959 0.049 -13.442 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.503 -0.952 -13.229 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.773 -1.460 -14.366 1.00 0.00 H new ATOM 1699 N THR A 107 -0.736 -3.324 -17.012 1.00 0.00 N ATOM 1700 CA THR A 107 -1.607 -3.883 -18.033 1.00 0.00 C ATOM 1701 C THR A 107 -3.054 -3.679 -17.649 1.00 0.00 C ATOM 1702 O THR A 107 -3.746 -2.852 -18.227 1.00 0.00 O ATOM 1703 CB THR A 107 -1.301 -5.380 -18.332 1.00 0.00 C ATOM 1704 OG1 THR A 107 -1.768 -6.455 -17.445 1.00 0.00 O ATOM 1705 CG2 THR A 107 0.201 -5.525 -18.673 1.00 0.00 C ATOM 0 H THR A 107 -1.016 -3.497 -16.046 1.00 0.00 H new ATOM 0 HA THR A 107 -1.410 -3.346 -18.961 1.00 0.00 H new ATOM 0 HB THR A 107 -1.967 -5.579 -19.171 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.998 -6.955 -17.103 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.427 -6.570 -18.884 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.436 -4.919 -19.548 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.800 -5.188 -17.827 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.460 -4.473 -16.638 1.00 0.00 N ATOM 1714 CA LEU A 108 -4.858 -4.374 -16.227 1.00 0.00 C ATOM 1715 C LEU A 108 -4.958 -4.598 -14.716 1.00 0.00 C ATOM 1716 O LEU A 108 -4.576 -5.657 -14.256 1.00 0.00 O ATOM 1717 CB LEU A 108 -5.675 -5.494 -16.898 1.00 0.00 C ATOM 1718 CG LEU A 108 -5.493 -5.657 -18.416 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -5.871 -7.070 -18.863 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -6.289 -4.598 -19.182 1.00 0.00 C ATOM 0 H LEU A 108 -2.882 -5.141 -16.128 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.235 -3.391 -16.509 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.417 -6.439 -16.420 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.731 -5.313 -16.698 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.438 -5.507 -18.648 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.734 -7.160 -19.941 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.235 -7.795 -18.355 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.914 -7.264 -18.613 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.142 -4.737 -20.253 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.348 -4.697 -18.945 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.944 -3.605 -18.894 1.00 0.00 H new ATOM 1732 N PRO A 109 -5.501 -3.623 -13.941 1.00 0.00 N ATOM 1733 CA PRO A 109 -5.638 -3.785 -12.495 1.00 0.00 C ATOM 1734 C PRO A 109 -6.478 -5.025 -12.160 1.00 0.00 C ATOM 1735 O PRO A 109 -7.342 -5.435 -12.926 1.00 0.00 O ATOM 1736 CB PRO A 109 -6.297 -2.498 -11.987 1.00 0.00 C ATOM 1737 CG PRO A 109 -6.739 -1.718 -13.230 1.00 0.00 C ATOM 1738 CD PRO A 109 -6.084 -2.391 -14.446 1.00 0.00 C ATOM 0 HA PRO A 109 -4.672 -3.941 -12.014 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -7.150 -2.725 -11.347 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -5.597 -1.913 -11.390 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.825 -1.727 -13.324 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -6.434 -0.674 -13.158 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -6.819 -2.595 -15.225 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.322 -1.748 -14.887 1.00 0.00 H new ATOM 1746 N CYS A 110 -6.134 -5.606 -10.992 1.00 0.00 N ATOM 1747 CA CYS A 110 -6.801 -6.814 -10.501 1.00 0.00 C ATOM 1748 C CYS A 110 -8.349 -6.743 -10.574 1.00 0.00 C ATOM 1749 O CYS A 110 -8.936 -5.676 -10.710 1.00 0.00 O ATOM 1750 CB CYS A 110 -6.337 -7.099 -9.066 1.00 0.00 C ATOM 1751 SG CYS A 110 -7.082 -8.585 -8.347 1.00 0.00 S ATOM 0 H CYS A 110 -5.399 -5.254 -10.378 1.00 0.00 H new ATOM 0 HA CYS A 110 -6.514 -7.632 -11.161 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -5.252 -7.206 -9.058 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -6.578 -6.241 -8.438 1.00 0.00 H new ATOM 0 HG CYS A 110 -6.167 -9.493 -8.183 1.00 0.00 H new ATOM 1757 N VAL A 111 -8.972 -7.942 -10.489 1.00 0.00 N ATOM 1758 CA VAL A 111 -10.431 -8.029 -10.526 1.00 0.00 C ATOM 1759 C VAL A 111 -10.963 -7.314 -9.268 1.00 0.00 C ATOM 1760 O VAL A 111 -10.502 -7.550 -8.160 1.00 0.00 O ATOM 1761 CB VAL A 111 -10.877 -9.502 -10.588 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -12.407 -9.635 -10.641 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -10.252 -10.213 -11.797 1.00 0.00 C ATOM 0 H VAL A 111 -8.491 -8.837 -10.397 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.835 -7.548 -11.417 1.00 0.00 H new ATOM 0 HB VAL A 111 -10.527 -9.978 -9.672 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -12.679 -10.690 -10.684 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -12.843 -9.184 -9.749 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -12.786 -9.126 -11.527 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -10.582 -11.252 -11.819 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.564 -9.714 -12.714 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.165 -10.179 -11.717 1.00 0.00 H new ATOM 1773 N ASN A 112 -11.944 -6.415 -9.521 1.00 0.00 N ATOM 1774 CA ASN A 112 -12.529 -5.613 -8.449 1.00 0.00 C ATOM 1775 C ASN A 112 -13.308 -6.461 -7.421 1.00 0.00 C ATOM 1776 O ASN A 112 -13.250 -6.200 -6.225 1.00 0.00 O ATOM 1777 CB ASN A 112 -13.395 -4.490 -9.048 1.00 0.00 C ATOM 1778 CG ASN A 112 -13.642 -3.369 -8.024 1.00 0.00 C ATOM 1779 OD1 ASN A 112 -12.766 -3.003 -7.250 1.00 0.00 O ATOM 1780 ND2 ASN A 112 -14.879 -2.854 -8.064 1.00 0.00 N ATOM 0 H ASN A 112 -12.334 -6.237 -10.447 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.711 -5.161 -7.889 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -12.903 -4.079 -9.929 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -14.349 -4.900 -9.379 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -15.141 -2.107 -7.421 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -15.558 -3.209 -8.737 1.00 0.00 H new ATOM 1787 N LEU A 113 -14.010 -7.477 -7.973 1.00 0.00 N ATOM 1788 CA LEU A 113 -14.828 -8.419 -7.205 1.00 0.00 C ATOM 1789 C LEU A 113 -16.165 -7.776 -6.783 1.00 0.00 C ATOM 1790 O LEU A 113 -16.293 -6.563 -6.679 1.00 0.00 O ATOM 1791 CB LEU A 113 -14.089 -9.026 -5.991 1.00 0.00 C ATOM 1792 CG LEU A 113 -12.720 -9.646 -6.322 1.00 0.00 C ATOM 1793 CD1 LEU A 113 -11.945 -9.976 -5.041 1.00 0.00 C ATOM 1794 CD2 LEU A 113 -12.864 -10.903 -7.192 1.00 0.00 C ATOM 0 H LEU A 113 -14.019 -7.660 -8.976 1.00 0.00 H new ATOM 0 HA LEU A 113 -15.040 -9.253 -7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -13.949 -8.248 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -14.722 -9.792 -5.542 1.00 0.00 H new ATOM 0 HG LEU A 113 -12.159 -8.905 -6.891 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -10.981 -10.413 -5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -11.786 -9.063 -4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -12.516 -10.687 -4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -11.877 -11.313 -7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -13.459 -11.647 -6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -13.359 -10.643 -8.128 1.00 0.00 H new ATOM 1806 N ALA A 114 -17.137 -8.691 -6.563 1.00 0.00 N ATOM 1807 CA ALA A 114 -18.499 -8.344 -6.155 1.00 0.00 C ATOM 1808 C ALA A 114 -19.262 -7.620 -7.292 1.00 0.00 C ATOM 1809 O ALA A 114 -19.361 -6.392 -7.267 1.00 0.00 O ATOM 1810 CB ALA A 114 -18.501 -7.581 -4.818 1.00 0.00 C ATOM 1811 OXT ALA A 114 -19.754 -8.301 -8.192 1.00 0.00 O ATOM 0 H ALA A 114 -16.987 -9.695 -6.667 1.00 0.00 H new ATOM 0 HA ALA A 114 -19.053 -9.265 -5.972 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -19.526 -7.336 -4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -18.054 -8.204 -4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -17.924 -6.662 -4.923 1.00 0.00 H new TER 1817 ALA A 114