USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 906 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 61 SER OG : rot -90:sc= 1.12 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -0.0886 X(o=2,f=2.1) USER MOD Set 1.3: A 66 SER OG : rot 180:sc= 0.997 USER MOD Set 2.1: A 40 GLN :FLIP amide:sc= 0.365 F(o=0.14,f=0.74) USER MOD Set 2.2: A 47 MET CE :methyl -163:sc=-0.00876 (180deg=-0.249) USER MOD Set 2.3: A 49 SER OG : rot -143:sc= 0.382 USER MOD Set 3.1: A 16 HIS : no HD1:sc= -0.387 X(o=-2,f=-2.4) USER MOD Set 3.2: A 19 HIS : no HD1:sc= -1.61 K(o=-2,f=-3.6) USER MOD Set 4.1: A 3 HIS : no HE2:sc= -0.429 K(o=-0.45,f=-1) USER MOD Set 4.2: A 4 MET CE :methyl -117:sc= -0.0169 (180deg=-0.435) USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0588 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 164:sc= -0.288 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= -0.0983 (180deg=-0.0983) USER MOD Single : A 23 THR OG1 : rot 86:sc= 0.897 USER MOD Single : A 28 SER OG : rot -83:sc= 0.149 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc=-0.00736 X(o=-0.0074,f=-0.036) USER MOD Single : A 41 MET CE :methyl -126:sc= -0.0266 (180deg=-1.54) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.315 X(o=-0.32,f=-0.23) USER MOD Single : A 45 THR OG1 : rot -4:sc= 0.319 USER MOD Single : A 50 ASN : amide:sc= -0.416 K(o=-0.42,f=-4!) USER MOD Single : A 51 GLN :FLIP amide:sc=-0.00427 F(o=-0.69,f=-0.0043) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0358 USER MOD Single : A 59 SER OG : rot 160:sc= -0.211 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0511 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -125:sc= 0.00687 USER MOD Single : A 75 SER OG : rot 75:sc= 0.0327 USER MOD Single : A 76 GLN : amide:sc= -0.0195 X(o=-0.019,f=0) USER MOD Single : A 83 GLN : amide:sc= 0.955 K(o=0.95,f=0) USER MOD Single : A 86 TYR OH : rot 12:sc= 1.27 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 141:sc= 0.602 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.0643 K(o=-0.064,f=-3.8!) USER MOD Single : A 102 HIS : no HD1:sc= -0.0473 X(o=-0.047,f=-0.26) USER MOD Single : A 103 TYR OH : rot 30:sc= -0.152 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl -139:sc= -1.11 (180deg=-5.24!) USER MOD Single : A 113 ASN : amide:sc= -0.253 K(o=-0.25,f=-0.94) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.374 -1.866 11.094 1.00 0.00 N ATOM 2 CA GLY A 1 -15.444 -2.861 10.967 1.00 0.00 C ATOM 3 C GLY A 1 -15.058 -3.880 9.912 1.00 0.00 C ATOM 4 O GLY A 1 -13.876 -4.213 9.797 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.239 -1.628 12.097 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.490 -2.256 10.708 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.633 -1.008 10.566 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.611 -3.356 11.923 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.379 -2.373 10.693 1.00 0.00 H new ATOM 8 N SER A 2 -16.021 -4.404 9.149 1.00 0.00 N ATOM 9 CA SER A 2 -15.706 -5.254 8.011 1.00 0.00 C ATOM 10 C SER A 2 -14.904 -4.450 6.988 1.00 0.00 C ATOM 11 O SER A 2 -15.184 -3.268 6.760 1.00 0.00 O ATOM 12 CB SER A 2 -16.986 -5.802 7.376 1.00 0.00 C ATOM 13 OG SER A 2 -17.851 -6.342 8.362 1.00 0.00 O ATOM 0 H SER A 2 -17.018 -4.252 9.302 1.00 0.00 H new ATOM 0 HA SER A 2 -15.111 -6.101 8.351 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.497 -5.006 6.835 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.734 -6.572 6.647 1.00 0.00 H new ATOM 0 HG SER A 2 -18.663 -6.684 7.933 1.00 0.00 H new ATOM 19 N HIS A 3 -13.904 -5.090 6.383 1.00 0.00 N ATOM 20 CA HIS A 3 -13.124 -4.505 5.301 1.00 0.00 C ATOM 21 C HIS A 3 -12.591 -5.564 4.341 1.00 0.00 C ATOM 22 O HIS A 3 -12.471 -5.278 3.152 1.00 0.00 O ATOM 23 CB HIS A 3 -11.959 -3.685 5.870 1.00 0.00 C ATOM 24 CG HIS A 3 -10.890 -4.523 6.532 1.00 0.00 C ATOM 25 ND1 HIS A 3 -11.056 -5.317 7.645 1.00 0.00 N ATOM 26 CD2 HIS A 3 -9.628 -4.749 6.046 1.00 0.00 C ATOM 27 CE1 HIS A 3 -9.925 -6.022 7.807 1.00 0.00 C ATOM 28 NE2 HIS A 3 -9.024 -5.702 6.867 1.00 0.00 N ATOM 0 H HIS A 3 -13.613 -6.035 6.634 1.00 0.00 H new ATOM 0 HA HIS A 3 -13.791 -3.852 4.738 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.507 -3.106 5.065 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.349 -2.971 6.595 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -11.885 -5.361 8.237 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.182 -4.275 5.184 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.763 -6.749 8.589 1.00 0.00 H new ATOM 36 N MET A 4 -12.287 -6.776 4.825 1.00 0.00 N ATOM 37 CA MET A 4 -11.744 -7.845 3.993 1.00 0.00 C ATOM 38 C MET A 4 -12.688 -8.097 2.830 1.00 0.00 C ATOM 39 O MET A 4 -12.223 -8.204 1.707 1.00 0.00 O ATOM 40 CB MET A 4 -11.529 -9.140 4.790 1.00 0.00 C ATOM 41 CG MET A 4 -10.350 -9.098 5.769 1.00 0.00 C ATOM 42 SD MET A 4 -8.737 -9.632 5.132 1.00 0.00 S ATOM 43 CE MET A 4 -8.022 -8.105 4.471 1.00 0.00 C ATOM 0 H MET A 4 -12.412 -7.037 5.803 1.00 0.00 H new ATOM 0 HA MET A 4 -10.769 -7.529 3.623 1.00 0.00 H new ATOM 0 HB2 MET A 4 -12.439 -9.364 5.347 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.374 -9.961 4.090 1.00 0.00 H new ATOM 0 HG2 MET A 4 -10.249 -8.076 6.135 1.00 0.00 H new ATOM 0 HG3 MET A 4 -10.599 -9.721 6.628 1.00 0.00 H new ATOM 0 HE1 MET A 4 -7.876 -8.207 3.396 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.697 -7.272 4.668 1.00 0.00 H new ATOM 0 HE3 MET A 4 -7.062 -7.915 4.951 1.00 0.00 H new ATOM 53 N GLU A 5 -14.001 -8.095 3.066 1.00 0.00 N ATOM 54 CA GLU A 5 -15.029 -8.374 2.067 1.00 0.00 C ATOM 55 C GLU A 5 -14.952 -7.486 0.840 1.00 0.00 C ATOM 56 O GLU A 5 -15.442 -7.873 -0.222 1.00 0.00 O ATOM 57 CB GLU A 5 -16.409 -8.081 2.642 1.00 0.00 C ATOM 58 CG GLU A 5 -16.695 -8.809 3.938 1.00 0.00 C ATOM 59 CD GLU A 5 -18.155 -8.633 4.333 1.00 0.00 C ATOM 60 OE1 GLU A 5 -19.048 -8.987 3.534 1.00 0.00 O ATOM 61 OE2 GLU A 5 -18.423 -8.149 5.458 1.00 0.00 O ATOM 0 H GLU A 5 -14.388 -7.892 3.988 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.866 -9.417 1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.503 -7.008 2.810 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.165 -8.356 1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.467 -9.869 3.825 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.049 -8.426 4.728 1.00 0.00 H new ATOM 68 N VAL A 6 -14.439 -6.269 1.006 1.00 0.00 N ATOM 69 CA VAL A 6 -14.330 -5.324 -0.078 1.00 0.00 C ATOM 70 C VAL A 6 -13.239 -5.858 -1.001 1.00 0.00 C ATOM 71 O VAL A 6 -13.434 -6.015 -2.206 1.00 0.00 O ATOM 72 CB VAL A 6 -14.014 -3.917 0.485 1.00 0.00 C ATOM 73 CG1 VAL A 6 -13.898 -2.834 -0.593 1.00 0.00 C ATOM 74 CG2 VAL A 6 -15.090 -3.484 1.491 1.00 0.00 C ATOM 0 H VAL A 6 -14.090 -5.920 1.899 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.258 -5.218 -0.639 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.041 -4.011 0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.676 -1.876 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -13.097 -3.094 -1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.839 -2.761 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -14.851 -2.493 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -16.061 -3.456 0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.124 -4.195 2.316 1.00 0.00 H new ATOM 84 N PHE A 7 -12.073 -6.130 -0.421 1.00 0.00 N ATOM 85 CA PHE A 7 -10.834 -6.427 -1.112 1.00 0.00 C ATOM 86 C PHE A 7 -10.750 -7.885 -1.565 1.00 0.00 C ATOM 87 O PHE A 7 -10.152 -8.204 -2.589 1.00 0.00 O ATOM 88 CB PHE A 7 -9.698 -6.088 -0.145 1.00 0.00 C ATOM 89 CG PHE A 7 -9.702 -4.660 0.386 1.00 0.00 C ATOM 90 CD1 PHE A 7 -9.649 -3.571 -0.506 1.00 0.00 C ATOM 91 CD2 PHE A 7 -9.729 -4.413 1.773 1.00 0.00 C ATOM 92 CE1 PHE A 7 -9.585 -2.253 -0.026 1.00 0.00 C ATOM 93 CE2 PHE A 7 -9.657 -3.094 2.254 1.00 0.00 C ATOM 94 CZ PHE A 7 -9.571 -2.017 1.356 1.00 0.00 C ATOM 0 H PHE A 7 -11.968 -6.149 0.593 1.00 0.00 H new ATOM 0 HA PHE A 7 -10.770 -5.835 -2.025 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.746 -6.773 0.701 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.748 -6.269 -0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -9.658 -3.752 -1.571 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.805 -5.237 2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.547 -1.425 -0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.668 -2.908 3.318 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.494 -1.007 1.730 1.00 0.00 H new ATOM 104 N ALA A 8 -11.405 -8.786 -0.853 1.00 0.00 N ATOM 105 CA ALA A 8 -11.314 -10.224 -1.014 1.00 0.00 C ATOM 106 C ALA A 8 -12.063 -10.711 -2.249 1.00 0.00 C ATOM 107 O ALA A 8 -12.106 -11.907 -2.527 1.00 0.00 O ATOM 108 CB ALA A 8 -11.907 -10.846 0.232 1.00 0.00 C ATOM 0 H ALA A 8 -12.048 -8.518 -0.108 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.272 -10.512 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.859 -11.932 0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.343 -10.520 1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.947 -10.535 0.335 1.00 0.00 H new ATOM 114 N GLU A 9 -12.661 -9.791 -2.998 1.00 0.00 N ATOM 115 CA GLU A 9 -13.195 -10.018 -4.316 1.00 0.00 C ATOM 116 C GLU A 9 -12.094 -9.814 -5.348 1.00 0.00 C ATOM 117 O GLU A 9 -12.059 -10.535 -6.345 1.00 0.00 O ATOM 118 CB GLU A 9 -14.313 -8.991 -4.545 1.00 0.00 C ATOM 119 CG GLU A 9 -15.534 -9.252 -3.660 1.00 0.00 C ATOM 120 CD GLU A 9 -16.734 -8.383 -4.047 1.00 0.00 C ATOM 121 OE1 GLU A 9 -17.533 -8.797 -4.926 1.00 0.00 O ATOM 122 OE2 GLU A 9 -16.940 -7.294 -3.472 1.00 0.00 O ATOM 0 H GLU A 9 -12.787 -8.830 -2.681 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.581 -11.033 -4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.930 -7.990 -4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.615 -9.014 -5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.813 -10.303 -3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.272 -9.062 -2.619 1.00 0.00 H new ATOM 129 N TYR A 10 -11.186 -8.863 -5.116 1.00 0.00 N ATOM 130 CA TYR A 10 -10.168 -8.528 -6.087 1.00 0.00 C ATOM 131 C TYR A 10 -9.050 -9.567 -5.974 1.00 0.00 C ATOM 132 O TYR A 10 -8.576 -10.071 -6.988 1.00 0.00 O ATOM 133 CB TYR A 10 -9.684 -7.088 -5.867 1.00 0.00 C ATOM 134 CG TYR A 10 -8.419 -6.830 -5.075 1.00 0.00 C ATOM 135 CD1 TYR A 10 -7.153 -7.108 -5.635 1.00 0.00 C ATOM 136 CD2 TYR A 10 -8.489 -6.173 -3.842 1.00 0.00 C ATOM 137 CE1 TYR A 10 -5.982 -6.795 -4.922 1.00 0.00 C ATOM 138 CE2 TYR A 10 -7.333 -5.906 -3.101 1.00 0.00 C ATOM 139 CZ TYR A 10 -6.075 -6.234 -3.632 1.00 0.00 C ATOM 140 OH TYR A 10 -4.958 -6.007 -2.897 1.00 0.00 O ATOM 0 H TYR A 10 -11.144 -8.315 -4.257 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.559 -8.560 -7.104 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.549 -6.637 -6.850 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -10.491 -6.546 -5.375 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.084 -7.562 -6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.450 -5.867 -3.456 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.014 -6.984 -5.362 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.408 -5.450 -2.125 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.169 -5.395 -2.161 1.00 0.00 H new ATOM 150 N LEU A 11 -8.697 -9.949 -4.741 1.00 0.00 N ATOM 151 CA LEU A 11 -7.706 -10.983 -4.427 1.00 0.00 C ATOM 152 C LEU A 11 -7.973 -12.292 -5.174 1.00 0.00 C ATOM 153 O LEU A 11 -7.032 -12.945 -5.620 1.00 0.00 O ATOM 154 CB LEU A 11 -7.644 -11.277 -2.914 1.00 0.00 C ATOM 155 CG LEU A 11 -7.232 -10.097 -2.019 1.00 0.00 C ATOM 156 CD1 LEU A 11 -7.243 -10.570 -0.565 1.00 0.00 C ATOM 157 CD2 LEU A 11 -5.852 -9.562 -2.409 1.00 0.00 C ATOM 0 H LEU A 11 -9.108 -9.532 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.748 -10.580 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.624 -11.629 -2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.942 -12.095 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.938 -9.277 -2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.953 -9.747 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.245 -10.908 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.539 -11.393 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.588 -8.728 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.111 -10.354 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.873 -9.222 -3.444 1.00 0.00 H new ATOM 169 N LYS A 12 -9.247 -12.664 -5.328 1.00 0.00 N ATOM 170 CA LYS A 12 -9.671 -13.838 -6.091 1.00 0.00 C ATOM 171 C LYS A 12 -9.267 -13.710 -7.555 1.00 0.00 C ATOM 172 O LYS A 12 -8.759 -14.669 -8.139 1.00 0.00 O ATOM 173 CB LYS A 12 -11.195 -14.008 -5.979 1.00 0.00 C ATOM 174 CG LYS A 12 -11.597 -14.388 -4.556 1.00 0.00 C ATOM 175 CD LYS A 12 -13.102 -14.554 -4.303 1.00 0.00 C ATOM 176 CE LYS A 12 -14.026 -13.549 -4.992 1.00 0.00 C ATOM 177 NZ LYS A 12 -15.142 -13.109 -4.119 1.00 0.00 N ATOM 0 H LYS A 12 -10.025 -12.148 -4.918 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.177 -14.717 -5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.691 -13.081 -6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.531 -14.777 -6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.100 -15.323 -4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.216 -13.625 -3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.392 -15.556 -4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.276 -14.496 -3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.446 -12.679 -5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.433 -13.997 -5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.738 -12.429 -4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.714 -13.933 -3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.757 -12.656 -3.266 1.00 0.00 H new ATOM 191 N GLY A 13 -9.521 -12.537 -8.134 1.00 0.00 N ATOM 192 CA GLY A 13 -9.286 -12.228 -9.536 1.00 0.00 C ATOM 193 C GLY A 13 -7.808 -12.072 -9.892 1.00 0.00 C ATOM 194 O GLY A 13 -7.478 -11.992 -11.079 1.00 0.00 O ATOM 0 H GLY A 13 -9.911 -11.749 -7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.717 -13.019 -10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.811 -11.306 -9.789 1.00 0.00 H new ATOM 198 N ILE A 14 -6.903 -12.042 -8.911 1.00 0.00 N ATOM 199 CA ILE A 14 -5.482 -12.209 -9.140 1.00 0.00 C ATOM 200 C ILE A 14 -5.279 -13.656 -9.589 1.00 0.00 C ATOM 201 O ILE A 14 -5.273 -14.579 -8.776 1.00 0.00 O ATOM 202 CB ILE A 14 -4.674 -11.875 -7.872 1.00 0.00 C ATOM 203 CG1 ILE A 14 -4.934 -10.433 -7.388 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.178 -12.134 -8.145 1.00 0.00 C ATOM 205 CD1 ILE A 14 -4.277 -10.087 -6.048 1.00 0.00 C ATOM 0 H ILE A 14 -7.147 -11.900 -7.931 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.121 -11.524 -9.907 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.001 -12.525 -7.060 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.573 -9.738 -8.146 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.010 -10.280 -7.302 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.599 -11.900 -7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.032 -13.182 -8.407 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.844 -11.504 -8.969 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.511 -9.056 -5.784 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.655 -10.755 -5.274 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.197 -10.204 -6.132 1.00 0.00 H new ATOM 217 N ASP A 15 -5.058 -13.850 -10.886 1.00 0.00 N ATOM 218 CA ASP A 15 -4.804 -15.154 -11.514 1.00 0.00 C ATOM 219 C ASP A 15 -3.374 -15.672 -11.259 1.00 0.00 C ATOM 220 O ASP A 15 -2.964 -16.705 -11.790 1.00 0.00 O ATOM 221 CB ASP A 15 -5.083 -15.040 -13.015 1.00 0.00 C ATOM 222 CG ASP A 15 -5.868 -16.251 -13.514 1.00 0.00 C ATOM 223 OD1 ASP A 15 -5.249 -17.306 -13.770 1.00 0.00 O ATOM 224 OD2 ASP A 15 -7.115 -16.147 -13.586 1.00 0.00 O ATOM 0 H ASP A 15 -5.049 -13.081 -11.556 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.473 -15.886 -11.061 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.645 -14.128 -13.217 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.142 -14.961 -13.559 1.00 0.00 H new ATOM 229 N HIS A 16 -2.611 -14.921 -10.466 1.00 0.00 N ATOM 230 CA HIS A 16 -1.185 -15.048 -10.178 1.00 0.00 C ATOM 231 C HIS A 16 -0.983 -15.357 -8.685 1.00 0.00 C ATOM 232 O HIS A 16 -0.553 -14.490 -7.923 1.00 0.00 O ATOM 233 CB HIS A 16 -0.522 -13.740 -10.679 1.00 0.00 C ATOM 234 CG HIS A 16 0.924 -13.832 -11.085 1.00 0.00 C ATOM 235 ND1 HIS A 16 1.855 -12.814 -11.024 1.00 0.00 N ATOM 236 CD2 HIS A 16 1.463 -14.838 -11.836 1.00 0.00 C ATOM 237 CE1 HIS A 16 2.938 -13.211 -11.718 1.00 0.00 C ATOM 238 NE2 HIS A 16 2.751 -14.448 -12.212 1.00 0.00 N ATOM 0 H HIS A 16 -3.016 -14.133 -9.961 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.708 -15.882 -10.692 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.093 -13.373 -11.532 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.608 -12.991 -9.892 1.00 0.00 H new ATOM 0 HD2 HIS A 16 0.980 -15.769 -12.093 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.831 -12.620 -11.858 1.00 0.00 H new ATOM 0 HE2 HIS A 16 3.419 -14.995 -12.755 1.00 0.00 H new ATOM 246 N PRO A 17 -1.282 -16.594 -8.251 1.00 0.00 N ATOM 247 CA PRO A 17 -1.376 -16.970 -6.844 1.00 0.00 C ATOM 248 C PRO A 17 -0.001 -16.995 -6.180 1.00 0.00 C ATOM 249 O PRO A 17 0.130 -16.725 -4.986 1.00 0.00 O ATOM 250 CB PRO A 17 -1.998 -18.369 -6.849 1.00 0.00 C ATOM 251 CG PRO A 17 -1.482 -18.961 -8.159 1.00 0.00 C ATOM 252 CD PRO A 17 -1.458 -17.766 -9.094 1.00 0.00 C ATOM 0 HA PRO A 17 -1.971 -16.254 -6.277 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.681 -18.956 -5.987 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.087 -18.328 -6.824 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.491 -19.399 -8.040 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.137 -19.749 -8.530 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.645 -17.852 -9.815 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.384 -17.700 -9.664 1.00 0.00 H new ATOM 260 N ASP A 18 1.050 -17.259 -6.960 1.00 0.00 N ATOM 261 CA ASP A 18 2.391 -17.501 -6.453 1.00 0.00 C ATOM 262 C ASP A 18 2.941 -16.241 -5.780 1.00 0.00 C ATOM 263 O ASP A 18 3.850 -16.332 -4.958 1.00 0.00 O ATOM 264 CB ASP A 18 3.272 -17.979 -7.607 1.00 0.00 C ATOM 265 CG ASP A 18 2.762 -19.294 -8.184 1.00 0.00 C ATOM 266 OD1 ASP A 18 2.968 -20.366 -7.582 1.00 0.00 O ATOM 267 OD2 ASP A 18 2.098 -19.251 -9.248 1.00 0.00 O ATOM 0 H ASP A 18 0.986 -17.310 -7.977 1.00 0.00 H new ATOM 0 HA ASP A 18 2.376 -18.279 -5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.294 -17.220 -8.389 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.296 -18.106 -7.257 1.00 0.00 H new ATOM 272 N HIS A 19 2.321 -15.083 -6.026 1.00 0.00 N ATOM 273 CA HIS A 19 2.682 -13.790 -5.441 1.00 0.00 C ATOM 274 C HIS A 19 1.427 -13.069 -4.933 1.00 0.00 C ATOM 275 O HIS A 19 1.507 -11.928 -4.490 1.00 0.00 O ATOM 276 CB HIS A 19 3.396 -12.943 -6.513 1.00 0.00 C ATOM 277 CG HIS A 19 4.056 -13.746 -7.613 1.00 0.00 C ATOM 278 ND1 HIS A 19 3.394 -14.213 -8.725 1.00 0.00 N ATOM 279 CD2 HIS A 19 5.292 -14.338 -7.590 1.00 0.00 C ATOM 280 CE1 HIS A 19 4.185 -15.105 -9.331 1.00 0.00 C ATOM 281 NE2 HIS A 19 5.367 -15.193 -8.701 1.00 0.00 N ATOM 0 H HIS A 19 1.525 -15.019 -6.661 1.00 0.00 H new ATOM 0 HA HIS A 19 3.350 -13.942 -4.593 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.672 -12.263 -6.962 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.153 -12.327 -6.026 1.00 0.00 H new ATOM 0 HD2 HIS A 19 6.065 -14.177 -6.853 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.911 -15.676 -10.206 1.00 0.00 H new ATOM 0 HE2 HIS A 19 6.163 -15.768 -8.976 1.00 0.00 H new ATOM 289 N ARG A 20 0.250 -13.706 -4.982 1.00 0.00 N ATOM 290 CA ARG A 20 -0.977 -13.079 -4.518 1.00 0.00 C ATOM 291 C ARG A 20 -0.888 -12.865 -3.021 1.00 0.00 C ATOM 292 O ARG A 20 -1.051 -11.731 -2.594 1.00 0.00 O ATOM 293 CB ARG A 20 -2.205 -13.903 -4.922 1.00 0.00 C ATOM 294 CG ARG A 20 -3.519 -13.239 -4.484 1.00 0.00 C ATOM 295 CD ARG A 20 -4.278 -14.005 -3.409 1.00 0.00 C ATOM 296 NE ARG A 20 -5.029 -15.149 -3.955 1.00 0.00 N ATOM 297 CZ ARG A 20 -5.656 -16.058 -3.197 1.00 0.00 C ATOM 298 NH1 ARG A 20 -5.466 -16.105 -1.887 1.00 0.00 N ATOM 299 NH2 ARG A 20 -6.454 -16.947 -3.764 1.00 0.00 N ATOM 0 H ARG A 20 0.130 -14.654 -5.339 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.096 -12.106 -4.995 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.211 -14.037 -6.004 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.136 -14.896 -4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.301 -12.237 -4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.163 -13.124 -5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.575 -14.362 -2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.968 -13.329 -2.905 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.074 -15.255 -4.968 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.833 -15.442 -1.439 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.952 -16.804 -1.326 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.590 -16.939 -4.775 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.933 -17.641 -3.191 1.00 0.00 H new ATOM 313 N ASP A 21 -0.638 -13.901 -2.224 1.00 0.00 N ATOM 314 CA ASP A 21 -0.814 -13.906 -0.768 1.00 0.00 C ATOM 315 C ASP A 21 0.023 -12.858 -0.016 1.00 0.00 C ATOM 316 O ASP A 21 -0.285 -12.564 1.133 1.00 0.00 O ATOM 317 CB ASP A 21 -0.517 -15.323 -0.242 1.00 0.00 C ATOM 318 CG ASP A 21 -1.677 -16.316 -0.359 1.00 0.00 C ATOM 319 OD1 ASP A 21 -2.647 -16.023 -1.094 1.00 0.00 O ATOM 320 OD2 ASP A 21 -1.571 -17.431 0.204 1.00 0.00 O ATOM 0 H ASP A 21 -0.295 -14.792 -2.583 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.848 -13.623 -0.572 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.339 -15.723 -0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.225 -15.251 0.806 1.00 0.00 H new ATOM 325 N ARG A 22 1.035 -12.247 -0.644 1.00 0.00 N ATOM 326 CA ARG A 22 1.745 -11.080 -0.099 1.00 0.00 C ATOM 327 C ARG A 22 0.803 -9.881 0.032 1.00 0.00 C ATOM 328 O ARG A 22 0.815 -9.159 1.021 1.00 0.00 O ATOM 329 CB ARG A 22 2.915 -10.700 -1.029 1.00 0.00 C ATOM 330 CG ARG A 22 4.032 -11.752 -1.146 1.00 0.00 C ATOM 331 CD ARG A 22 3.869 -12.783 -2.261 1.00 0.00 C ATOM 332 NE ARG A 22 3.831 -14.171 -1.758 1.00 0.00 N ATOM 333 CZ ARG A 22 4.832 -15.060 -1.735 1.00 0.00 C ATOM 334 NH1 ARG A 22 6.087 -14.704 -1.975 1.00 0.00 N ATOM 335 NH2 ARG A 22 4.557 -16.330 -1.466 1.00 0.00 N ATOM 0 H ARG A 22 1.388 -12.550 -1.552 1.00 0.00 H new ATOM 0 HA ARG A 22 2.123 -11.343 0.889 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.517 -10.505 -2.025 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.353 -9.768 -0.672 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.979 -11.232 -1.295 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.105 -12.282 -0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.950 -12.575 -2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.693 -12.680 -2.968 1.00 0.00 H new ATOM 0 HE ARG A 22 2.937 -14.490 -1.384 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.310 -13.731 -2.184 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.829 -15.403 -1.951 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.595 -16.615 -1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.307 -17.021 -1.444 1.00 0.00 H new ATOM 349 N THR A 23 -0.018 -9.660 -0.986 1.00 0.00 N ATOM 350 CA THR A 23 -0.904 -8.510 -1.118 1.00 0.00 C ATOM 351 C THR A 23 -1.871 -8.405 0.079 1.00 0.00 C ATOM 352 O THR A 23 -2.182 -7.301 0.531 1.00 0.00 O ATOM 353 CB THR A 23 -1.661 -8.620 -2.457 1.00 0.00 C ATOM 354 OG1 THR A 23 -0.853 -9.127 -3.502 1.00 0.00 O ATOM 355 CG2 THR A 23 -2.148 -7.248 -2.904 1.00 0.00 C ATOM 0 H THR A 23 -0.088 -10.303 -1.775 1.00 0.00 H new ATOM 0 HA THR A 23 -0.314 -7.594 -1.116 1.00 0.00 H new ATOM 0 HB THR A 23 -2.489 -9.305 -2.274 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.876 -10.107 -3.488 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.680 -7.341 -3.850 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.818 -6.836 -2.150 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.294 -6.583 -3.032 1.00 0.00 H new ATOM 363 N GLU A 24 -2.370 -9.529 0.607 1.00 0.00 N ATOM 364 CA GLU A 24 -3.360 -9.514 1.683 1.00 0.00 C ATOM 365 C GLU A 24 -2.766 -9.312 3.066 1.00 0.00 C ATOM 366 O GLU A 24 -3.487 -8.893 3.971 1.00 0.00 O ATOM 367 CB GLU A 24 -4.197 -10.787 1.674 1.00 0.00 C ATOM 368 CG GLU A 24 -3.408 -12.081 1.902 1.00 0.00 C ATOM 369 CD GLU A 24 -4.213 -13.116 2.678 1.00 0.00 C ATOM 370 OE1 GLU A 24 -4.503 -12.872 3.872 1.00 0.00 O ATOM 371 OE2 GLU A 24 -4.563 -14.166 2.094 1.00 0.00 O ATOM 0 H GLU A 24 -2.100 -10.464 0.302 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.990 -8.648 1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.963 -10.706 2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.714 -10.858 0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.113 -12.499 0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.491 -11.854 2.445 1.00 0.00 H new ATOM 378 N GLU A 25 -1.474 -9.592 3.222 1.00 0.00 N ATOM 379 CA GLU A 25 -0.743 -9.252 4.438 1.00 0.00 C ATOM 380 C GLU A 25 -0.859 -7.751 4.672 1.00 0.00 C ATOM 381 O GLU A 25 -1.196 -7.315 5.771 1.00 0.00 O ATOM 382 CB GLU A 25 0.744 -9.627 4.351 1.00 0.00 C ATOM 383 CG GLU A 25 1.005 -11.126 4.316 1.00 0.00 C ATOM 384 CD GLU A 25 2.426 -11.426 4.788 1.00 0.00 C ATOM 385 OE1 GLU A 25 3.406 -10.941 4.185 1.00 0.00 O ATOM 386 OE2 GLU A 25 2.579 -12.127 5.824 1.00 0.00 O ATOM 0 H GLU A 25 -0.908 -10.058 2.513 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.179 -9.819 5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.170 -9.174 3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.267 -9.198 5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.286 -11.642 4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.863 -11.503 3.303 1.00 0.00 H new ATOM 393 N ILE A 26 -0.610 -6.975 3.617 1.00 0.00 N ATOM 394 CA ILE A 26 -0.712 -5.529 3.620 1.00 0.00 C ATOM 395 C ILE A 26 -2.142 -5.102 3.933 1.00 0.00 C ATOM 396 O ILE A 26 -2.326 -4.199 4.745 1.00 0.00 O ATOM 397 CB ILE A 26 -0.221 -4.994 2.263 1.00 0.00 C ATOM 398 CG1 ILE A 26 1.304 -5.159 2.153 1.00 0.00 C ATOM 399 CG2 ILE A 26 -0.620 -3.530 2.060 1.00 0.00 C ATOM 400 CD1 ILE A 26 1.731 -5.386 0.707 1.00 0.00 C ATOM 0 H ILE A 26 -0.324 -7.353 2.714 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.081 -5.104 4.400 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.700 -5.577 1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.798 -4.270 2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.627 -6.000 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.257 -3.185 1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.706 -3.441 2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.181 -2.920 2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.814 -5.499 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.255 -6.289 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.429 -4.532 0.100 1.00 0.00 H new ATOM 412 N LEU A 27 -3.147 -5.692 3.275 1.00 0.00 N ATOM 413 CA LEU A 27 -4.528 -5.251 3.452 1.00 0.00 C ATOM 414 C LEU A 27 -4.940 -5.310 4.926 1.00 0.00 C ATOM 415 O LEU A 27 -5.481 -4.328 5.439 1.00 0.00 O ATOM 416 CB LEU A 27 -5.504 -6.075 2.604 1.00 0.00 C ATOM 417 CG LEU A 27 -5.436 -5.867 1.084 1.00 0.00 C ATOM 418 CD1 LEU A 27 -6.223 -6.996 0.413 1.00 0.00 C ATOM 419 CD2 LEU A 27 -6.056 -4.528 0.664 1.00 0.00 C ATOM 0 H LEU A 27 -3.028 -6.467 2.623 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.575 -4.216 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.329 -7.131 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.518 -5.849 2.934 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.389 -5.867 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.189 -6.870 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.781 -7.956 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.259 -6.967 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.988 -4.419 -0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.103 -4.501 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.518 -3.711 1.145 1.00 0.00 H new ATOM 431 N SER A 28 -4.692 -6.437 5.602 1.00 0.00 N ATOM 432 CA SER A 28 -5.052 -6.595 7.002 1.00 0.00 C ATOM 433 C SER A 28 -4.191 -5.701 7.901 1.00 0.00 C ATOM 434 O SER A 28 -4.717 -5.116 8.850 1.00 0.00 O ATOM 435 CB SER A 28 -4.927 -8.071 7.382 1.00 0.00 C ATOM 436 OG SER A 28 -3.640 -8.582 7.094 1.00 0.00 O ATOM 0 H SER A 28 -4.240 -7.254 5.192 1.00 0.00 H new ATOM 0 HA SER A 28 -6.084 -6.278 7.150 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.136 -8.191 8.445 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.677 -8.650 6.842 1.00 0.00 H new ATOM 0 HG SER A 28 -3.592 -8.833 6.148 1.00 0.00 H new ATOM 442 N TRP A 29 -2.893 -5.599 7.588 1.00 0.00 N ATOM 443 CA TRP A 29 -1.894 -4.800 8.299 1.00 0.00 C ATOM 444 C TRP A 29 -2.261 -3.318 8.296 1.00 0.00 C ATOM 445 O TRP A 29 -2.243 -2.692 9.354 1.00 0.00 O ATOM 446 CB TRP A 29 -0.508 -5.026 7.677 1.00 0.00 C ATOM 447 CG TRP A 29 0.621 -4.228 8.242 1.00 0.00 C ATOM 448 CD1 TRP A 29 1.384 -4.581 9.294 1.00 0.00 C ATOM 449 CD2 TRP A 29 1.184 -2.975 7.767 1.00 0.00 C ATOM 450 NE1 TRP A 29 2.328 -3.611 9.549 1.00 0.00 N ATOM 451 CE2 TRP A 29 2.276 -2.608 8.609 1.00 0.00 C ATOM 452 CE3 TRP A 29 0.919 -2.148 6.662 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.061 -1.472 8.367 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.713 -1.021 6.396 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.793 -0.691 7.231 1.00 0.00 C ATOM 0 H TRP A 29 -2.494 -6.097 6.792 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.870 -5.124 9.340 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.260 -6.083 7.775 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.575 -4.812 6.610 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.272 -5.495 9.858 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.981 -3.633 10.333 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.092 -2.383 6.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.859 -1.202 9.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.491 -0.401 5.540 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.416 0.161 7.000 1.00 0.00 H new ATOM 466 N VAL A 30 -2.628 -2.742 7.147 1.00 0.00 N ATOM 467 CA VAL A 30 -3.105 -1.361 7.071 1.00 0.00 C ATOM 468 C VAL A 30 -4.301 -1.203 8.009 1.00 0.00 C ATOM 469 O VAL A 30 -4.305 -0.314 8.860 1.00 0.00 O ATOM 470 CB VAL A 30 -3.426 -0.976 5.608 1.00 0.00 C ATOM 471 CG1 VAL A 30 -4.269 0.307 5.536 1.00 0.00 C ATOM 472 CG2 VAL A 30 -2.133 -0.764 4.800 1.00 0.00 C ATOM 0 H VAL A 30 -2.602 -3.220 6.246 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.329 -0.670 7.399 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.995 -1.802 5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.476 0.548 4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.209 0.155 6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.721 1.129 5.997 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.385 -0.494 3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.548 0.037 5.253 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.549 -1.684 4.800 1.00 0.00 H new ATOM 482 N ALA A 31 -5.281 -2.101 7.907 1.00 0.00 N ATOM 483 CA ALA A 31 -6.469 -2.112 8.750 1.00 0.00 C ATOM 484 C ALA A 31 -6.185 -2.478 10.218 1.00 0.00 C ATOM 485 O ALA A 31 -7.128 -2.657 10.994 1.00 0.00 O ATOM 486 CB ALA A 31 -7.458 -3.093 8.126 1.00 0.00 C ATOM 0 H ALA A 31 -5.268 -2.855 7.221 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.876 -1.102 8.789 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.364 -3.130 8.730 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.708 -2.765 7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.009 -4.085 8.085 1.00 0.00 H new ATOM 492 N ALA A 32 -4.923 -2.675 10.602 1.00 0.00 N ATOM 493 CA ALA A 32 -4.505 -3.021 11.951 1.00 0.00 C ATOM 494 C ALA A 32 -3.610 -1.930 12.545 1.00 0.00 C ATOM 495 O ALA A 32 -3.935 -1.422 13.615 1.00 0.00 O ATOM 496 CB ALA A 32 -3.845 -4.395 11.968 1.00 0.00 C ATOM 0 H ALA A 32 -4.139 -2.594 9.954 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.387 -3.080 12.589 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.538 -4.639 12.985 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.554 -5.143 11.614 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.971 -4.387 11.317 1.00 0.00 H new ATOM 502 N THR A 33 -2.522 -1.529 11.883 1.00 0.00 N ATOM 503 CA THR A 33 -1.696 -0.427 12.374 1.00 0.00 C ATOM 504 C THR A 33 -2.404 0.921 12.181 1.00 0.00 C ATOM 505 O THR A 33 -2.232 1.814 13.014 1.00 0.00 O ATOM 506 CB THR A 33 -0.338 -0.403 11.660 1.00 0.00 C ATOM 507 OG1 THR A 33 0.316 -1.659 11.666 1.00 0.00 O ATOM 508 CG2 THR A 33 0.669 0.517 12.363 1.00 0.00 C ATOM 0 H THR A 33 -2.195 -1.948 11.012 1.00 0.00 H new ATOM 0 HA THR A 33 -1.534 -0.588 13.440 1.00 0.00 H new ATOM 0 HB THR A 33 -0.591 -0.074 10.652 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.173 -1.584 11.197 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.615 0.502 11.822 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.279 1.535 12.384 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.829 0.169 13.383 1.00 0.00 H new ATOM 516 N PHE A 34 -3.212 1.094 11.121 1.00 0.00 N ATOM 517 CA PHE A 34 -3.814 2.384 10.781 1.00 0.00 C ATOM 518 C PHE A 34 -5.352 2.288 10.776 1.00 0.00 C ATOM 519 O PHE A 34 -5.991 2.613 9.773 1.00 0.00 O ATOM 520 CB PHE A 34 -3.248 2.949 9.464 1.00 0.00 C ATOM 521 CG PHE A 34 -1.798 2.629 9.168 1.00 0.00 C ATOM 522 CD1 PHE A 34 -0.763 2.972 10.059 1.00 0.00 C ATOM 523 CD2 PHE A 34 -1.500 1.913 7.999 1.00 0.00 C ATOM 524 CE1 PHE A 34 0.540 2.504 9.809 1.00 0.00 C ATOM 525 CE2 PHE A 34 -0.202 1.465 7.745 1.00 0.00 C ATOM 526 CZ PHE A 34 0.813 1.737 8.667 1.00 0.00 C ATOM 0 H PHE A 34 -3.463 0.341 10.480 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.542 3.100 11.557 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.856 2.574 8.641 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.364 4.033 9.478 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.967 3.587 10.923 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.285 1.706 7.286 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.336 2.737 10.501 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.016 0.913 6.843 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.809 1.356 8.500 1.00 0.00 H new ATOM 536 N PRO A 35 -5.999 1.883 11.885 1.00 0.00 N ATOM 537 CA PRO A 35 -7.434 1.600 11.913 1.00 0.00 C ATOM 538 C PRO A 35 -8.309 2.834 11.662 1.00 0.00 C ATOM 539 O PRO A 35 -9.512 2.696 11.451 1.00 0.00 O ATOM 540 CB PRO A 35 -7.701 1.003 13.298 1.00 0.00 C ATOM 541 CG PRO A 35 -6.612 1.629 14.159 1.00 0.00 C ATOM 542 CD PRO A 35 -5.430 1.663 13.202 1.00 0.00 C ATOM 0 HA PRO A 35 -7.698 0.918 11.105 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.697 1.256 13.661 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.632 -0.085 13.288 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.887 2.626 14.503 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.401 1.033 15.047 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.735 2.460 13.466 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.871 0.728 13.236 1.00 0.00 H new ATOM 550 N ASN A 36 -7.734 4.042 11.674 1.00 0.00 N ATOM 551 CA ASN A 36 -8.475 5.253 11.343 1.00 0.00 C ATOM 552 C ASN A 36 -8.801 5.358 9.845 1.00 0.00 C ATOM 553 O ASN A 36 -9.604 6.206 9.462 1.00 0.00 O ATOM 554 CB ASN A 36 -7.724 6.506 11.833 1.00 0.00 C ATOM 555 CG ASN A 36 -8.647 7.399 12.652 1.00 0.00 C ATOM 556 OD1 ASN A 36 -9.802 7.624 12.295 1.00 0.00 O ATOM 557 ND2 ASN A 36 -8.175 7.913 13.773 1.00 0.00 N ATOM 0 H ASN A 36 -6.755 4.202 11.911 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.429 5.191 11.866 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.866 6.209 12.437 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.336 7.061 10.979 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.770 8.504 14.353 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.215 7.719 14.059 1.00 0.00 H new ATOM 564 N LEU A 37 -8.202 4.528 8.982 1.00 0.00 N ATOM 565 CA LEU A 37 -8.597 4.404 7.578 1.00 0.00 C ATOM 566 C LEU A 37 -9.829 3.509 7.462 1.00 0.00 C ATOM 567 O LEU A 37 -10.014 2.614 8.285 1.00 0.00 O ATOM 568 CB LEU A 37 -7.465 3.737 6.786 1.00 0.00 C ATOM 569 CG LEU A 37 -6.188 4.579 6.629 1.00 0.00 C ATOM 570 CD1 LEU A 37 -5.089 3.674 6.082 1.00 0.00 C ATOM 571 CD2 LEU A 37 -6.396 5.765 5.683 1.00 0.00 C ATOM 0 H LEU A 37 -7.425 3.921 9.242 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.811 5.399 7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.204 2.799 7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.838 3.484 5.794 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.915 4.987 7.602 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.171 4.249 5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.914 2.853 6.777 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.395 3.273 5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.469 6.332 5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.685 5.398 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.182 6.410 6.075 1.00 0.00 H new ATOM 583 N GLU A 38 -10.598 3.654 6.383 1.00 0.00 N ATOM 584 CA GLU A 38 -11.727 2.801 6.026 1.00 0.00 C ATOM 585 C GLU A 38 -11.583 2.333 4.566 1.00 0.00 C ATOM 586 O GLU A 38 -10.975 3.044 3.766 1.00 0.00 O ATOM 587 CB GLU A 38 -13.006 3.624 6.210 1.00 0.00 C ATOM 588 CG GLU A 38 -13.288 3.963 7.679 1.00 0.00 C ATOM 589 CD GLU A 38 -13.896 2.782 8.433 1.00 0.00 C ATOM 590 OE1 GLU A 38 -13.159 1.856 8.848 1.00 0.00 O ATOM 591 OE2 GLU A 38 -15.126 2.745 8.644 1.00 0.00 O ATOM 0 H GLU A 38 -10.443 4.401 5.706 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.762 1.914 6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.923 4.548 5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.851 3.070 5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.361 4.265 8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.967 4.814 7.731 1.00 0.00 H new ATOM 598 N PRO A 39 -12.134 1.167 4.184 1.00 0.00 N ATOM 599 CA PRO A 39 -11.938 0.572 2.856 1.00 0.00 C ATOM 600 C PRO A 39 -12.646 1.345 1.738 1.00 0.00 C ATOM 601 O PRO A 39 -13.628 2.049 2.009 1.00 0.00 O ATOM 602 CB PRO A 39 -12.511 -0.849 2.970 1.00 0.00 C ATOM 603 CG PRO A 39 -13.559 -0.719 4.078 1.00 0.00 C ATOM 604 CD PRO A 39 -12.913 0.280 5.033 1.00 0.00 C ATOM 0 HA PRO A 39 -10.882 0.589 2.584 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.957 -1.179 2.032 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.740 -1.574 3.229 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.512 -0.354 3.694 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.756 -1.675 4.564 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.666 0.833 5.594 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.279 -0.225 5.762 1.00 0.00 H new ATOM 612 N GLN A 40 -12.201 1.161 0.485 1.00 0.00 N ATOM 613 CA GLN A 40 -12.849 1.654 -0.725 1.00 0.00 C ATOM 614 C GLN A 40 -12.314 0.879 -1.953 1.00 0.00 C ATOM 615 O GLN A 40 -11.116 0.908 -2.230 1.00 0.00 O ATOM 616 CB GLN A 40 -12.599 3.174 -0.801 1.00 0.00 C ATOM 617 CG GLN A 40 -13.016 3.793 -2.139 1.00 0.00 C ATOM 618 CD GLN A 40 -13.252 5.311 -2.134 1.00 0.00 C ATOM 619 OE1 GLN A 40 -12.995 6.036 -1.049 1.00 0.00 O flip ATOM 620 NE2 GLN A 40 -13.692 5.868 -3.138 1.00 0.00 N flip ATOM 0 H GLN A 40 -11.345 0.643 0.287 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.926 1.488 -0.710 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.145 3.665 0.004 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.540 3.369 -0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.246 3.567 -2.877 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.931 3.304 -2.473 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.893 5.323 -3.977 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.856 6.875 -3.132 1.00 0.00 H new ATOM 629 N MET A 41 -13.182 0.186 -2.701 1.00 0.00 N ATOM 630 CA MET A 41 -12.884 -0.353 -4.034 1.00 0.00 C ATOM 631 C MET A 41 -13.044 0.775 -5.058 1.00 0.00 C ATOM 632 O MET A 41 -14.170 1.166 -5.376 1.00 0.00 O ATOM 633 CB MET A 41 -13.847 -1.517 -4.354 1.00 0.00 C ATOM 634 CG MET A 41 -13.832 -2.025 -5.816 1.00 0.00 C ATOM 635 SD MET A 41 -13.223 -3.714 -6.118 1.00 0.00 S ATOM 636 CE MET A 41 -11.439 -3.413 -6.255 1.00 0.00 C ATOM 0 H MET A 41 -14.131 -0.020 -2.390 1.00 0.00 H new ATOM 0 HA MET A 41 -11.864 -0.736 -4.069 1.00 0.00 H new ATOM 0 HB2 MET A 41 -13.607 -2.353 -3.697 1.00 0.00 H new ATOM 0 HB3 MET A 41 -14.861 -1.201 -4.110 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.849 -1.961 -6.204 1.00 0.00 H new ATOM 0 HG3 MET A 41 -13.222 -1.338 -6.404 1.00 0.00 H new ATOM 0 HE1 MET A 41 -11.072 -3.825 -7.195 1.00 0.00 H new ATOM 0 HE2 MET A 41 -11.248 -2.340 -6.230 1.00 0.00 H new ATOM 0 HE3 MET A 41 -10.924 -3.892 -5.422 1.00 0.00 H new ATOM 646 N LYS A 42 -11.955 1.274 -5.643 1.00 0.00 N ATOM 647 CA LYS A 42 -11.997 2.322 -6.667 1.00 0.00 C ATOM 648 C LYS A 42 -11.049 1.931 -7.780 1.00 0.00 C ATOM 649 O LYS A 42 -10.067 1.265 -7.507 1.00 0.00 O ATOM 650 CB LYS A 42 -11.564 3.644 -6.020 1.00 0.00 C ATOM 651 CG LYS A 42 -12.236 4.849 -6.664 1.00 0.00 C ATOM 652 CD LYS A 42 -11.542 6.138 -6.237 1.00 0.00 C ATOM 653 CE LYS A 42 -12.299 7.297 -6.868 1.00 0.00 C ATOM 654 NZ LYS A 42 -11.706 8.592 -6.517 1.00 0.00 N ATOM 0 H LYS A 42 -11.011 0.961 -5.419 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.999 2.441 -7.079 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.804 3.622 -4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.482 3.748 -6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.204 4.754 -7.749 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.287 4.883 -6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.538 6.229 -5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.501 6.138 -6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.303 7.181 -7.952 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.339 7.273 -6.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.250 9.356 -6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.725 8.714 -5.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.722 8.625 -6.851 1.00 0.00 H new ATOM 668 N TRP A 43 -11.315 2.312 -9.029 1.00 0.00 N ATOM 669 CA TRP A 43 -10.443 2.030 -10.172 1.00 0.00 C ATOM 670 C TRP A 43 -10.109 0.535 -10.383 1.00 0.00 C ATOM 671 O TRP A 43 -9.203 0.203 -11.147 1.00 0.00 O ATOM 672 CB TRP A 43 -9.217 2.967 -10.132 1.00 0.00 C ATOM 673 CG TRP A 43 -9.414 4.265 -10.862 1.00 0.00 C ATOM 674 CD1 TRP A 43 -10.280 5.248 -10.527 1.00 0.00 C ATOM 675 CD2 TRP A 43 -8.781 4.698 -12.101 1.00 0.00 C ATOM 676 NE1 TRP A 43 -10.244 6.247 -11.480 1.00 0.00 N ATOM 677 CE2 TRP A 43 -9.333 5.958 -12.475 1.00 0.00 C ATOM 678 CE3 TRP A 43 -7.818 4.135 -12.965 1.00 0.00 C ATOM 679 CZ2 TRP A 43 -8.940 6.624 -13.646 1.00 0.00 C ATOM 680 CZ3 TRP A 43 -7.413 4.797 -14.138 1.00 0.00 C ATOM 681 CH2 TRP A 43 -7.973 6.038 -14.480 1.00 0.00 C ATOM 0 H TRP A 43 -12.155 2.833 -9.280 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.005 2.256 -11.078 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.970 3.181 -9.092 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.361 2.447 -10.562 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -10.906 5.251 -9.647 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -10.817 7.090 -11.452 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -7.383 3.177 -12.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.377 7.578 -13.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -6.668 4.349 -14.778 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.661 6.542 -15.383 1.00 0.00 H new ATOM 692 N ASN A 44 -10.870 -0.380 -9.770 1.00 0.00 N ATOM 693 CA ASN A 44 -10.620 -1.817 -9.607 1.00 0.00 C ATOM 694 C ASN A 44 -9.392 -2.139 -8.747 1.00 0.00 C ATOM 695 O ASN A 44 -8.914 -3.274 -8.727 1.00 0.00 O ATOM 696 CB ASN A 44 -10.572 -2.578 -10.935 1.00 0.00 C ATOM 697 CG ASN A 44 -10.893 -4.052 -10.715 1.00 0.00 C ATOM 698 OD1 ASN A 44 -10.062 -4.934 -10.914 1.00 0.00 O ATOM 699 ND2 ASN A 44 -12.108 -4.356 -10.289 1.00 0.00 N ATOM 0 H ASN A 44 -11.753 -0.110 -9.338 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.491 -2.175 -9.058 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -11.286 -2.145 -11.636 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.584 -2.478 -11.383 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.361 -5.330 -10.123 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -12.791 -3.616 -10.127 1.00 0.00 H new ATOM 706 N THR A 45 -8.888 -1.167 -8.006 1.00 0.00 N ATOM 707 CA THR A 45 -7.703 -1.283 -7.197 1.00 0.00 C ATOM 708 C THR A 45 -8.084 -1.101 -5.711 1.00 0.00 C ATOM 709 O THR A 45 -9.184 -0.653 -5.359 1.00 0.00 O ATOM 710 CB THR A 45 -6.634 -0.306 -7.735 1.00 0.00 C ATOM 711 OG1 THR A 45 -7.081 1.035 -7.796 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.241 -0.709 -9.166 1.00 0.00 C ATOM 0 H THR A 45 -9.315 -0.242 -7.955 1.00 0.00 H new ATOM 0 HA THR A 45 -7.252 -2.274 -7.259 1.00 0.00 H new ATOM 0 HB THR A 45 -5.797 -0.365 -7.039 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.027 1.077 -7.542 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.487 -0.019 -9.544 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.837 -1.721 -9.161 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.121 -0.673 -9.809 1.00 0.00 H new ATOM 720 N PRO A 46 -7.209 -1.548 -4.809 1.00 0.00 N ATOM 721 CA PRO A 46 -7.287 -1.313 -3.371 1.00 0.00 C ATOM 722 C PRO A 46 -6.854 0.098 -2.996 1.00 0.00 C ATOM 723 O PRO A 46 -5.679 0.456 -3.131 1.00 0.00 O ATOM 724 CB PRO A 46 -6.379 -2.375 -2.743 1.00 0.00 C ATOM 725 CG PRO A 46 -5.377 -2.682 -3.853 1.00 0.00 C ATOM 726 CD PRO A 46 -6.274 -2.619 -5.072 1.00 0.00 C ATOM 0 HA PRO A 46 -8.312 -1.393 -3.008 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.884 -2.002 -1.846 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.940 -3.263 -2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.570 -1.950 -3.895 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.913 -3.661 -3.732 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.696 -2.422 -5.975 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.794 -3.565 -5.226 1.00 0.00 H new ATOM 734 N MET A 47 -7.785 0.868 -2.440 1.00 0.00 N ATOM 735 CA MET A 47 -7.461 2.065 -1.686 1.00 0.00 C ATOM 736 C MET A 47 -8.163 2.005 -0.335 1.00 0.00 C ATOM 737 O MET A 47 -9.023 1.151 -0.087 1.00 0.00 O ATOM 738 CB MET A 47 -7.778 3.335 -2.490 1.00 0.00 C ATOM 739 CG MET A 47 -9.264 3.484 -2.828 1.00 0.00 C ATOM 740 SD MET A 47 -9.787 5.168 -3.239 1.00 0.00 S ATOM 741 CE MET A 47 -9.685 5.936 -1.601 1.00 0.00 C ATOM 0 H MET A 47 -8.785 0.676 -2.502 1.00 0.00 H new ATOM 0 HA MET A 47 -6.388 2.110 -1.498 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.453 4.207 -1.922 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.202 3.324 -3.415 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.498 2.831 -3.669 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.852 3.133 -1.980 1.00 0.00 H new ATOM 0 HE1 MET A 47 -10.248 6.869 -1.601 1.00 0.00 H new ATOM 0 HE2 MET A 47 -10.103 5.260 -0.855 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.642 6.142 -1.360 1.00 0.00 H new ATOM 751 N PHE A 48 -7.800 2.934 0.538 1.00 0.00 N ATOM 752 CA PHE A 48 -8.499 3.191 1.779 1.00 0.00 C ATOM 753 C PHE A 48 -8.580 4.709 1.902 1.00 0.00 C ATOM 754 O PHE A 48 -7.866 5.449 1.219 1.00 0.00 O ATOM 755 CB PHE A 48 -7.788 2.584 3.007 1.00 0.00 C ATOM 756 CG PHE A 48 -7.119 1.227 2.860 1.00 0.00 C ATOM 757 CD1 PHE A 48 -5.899 1.139 2.169 1.00 0.00 C ATOM 758 CD2 PHE A 48 -7.632 0.086 3.510 1.00 0.00 C ATOM 759 CE1 PHE A 48 -5.175 -0.057 2.157 1.00 0.00 C ATOM 760 CE2 PHE A 48 -6.908 -1.124 3.482 1.00 0.00 C ATOM 761 CZ PHE A 48 -5.672 -1.188 2.815 1.00 0.00 C ATOM 0 H PHE A 48 -6.993 3.541 0.395 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.483 2.722 1.758 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -7.029 3.294 3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.521 2.507 3.810 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.518 2.002 1.643 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.578 0.138 4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.229 -0.108 1.638 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.303 -2.001 3.973 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.107 -2.108 2.810 1.00 0.00 H new ATOM 771 N SER A 49 -9.435 5.181 2.792 1.00 0.00 N ATOM 772 CA SER A 49 -9.764 6.583 2.919 1.00 0.00 C ATOM 773 C SER A 49 -9.888 6.906 4.403 1.00 0.00 C ATOM 774 O SER A 49 -10.675 6.277 5.109 1.00 0.00 O ATOM 775 CB SER A 49 -11.041 6.885 2.114 1.00 0.00 C ATOM 776 OG SER A 49 -11.816 5.753 1.735 1.00 0.00 O ATOM 0 H SER A 49 -9.928 4.586 3.458 1.00 0.00 H new ATOM 0 HA SER A 49 -8.985 7.223 2.505 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.670 7.552 2.703 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.759 7.428 1.212 1.00 0.00 H new ATOM 0 HG SER A 49 -12.189 5.897 0.840 1.00 0.00 H new ATOM 782 N ASN A 50 -9.076 7.842 4.899 1.00 0.00 N ATOM 783 CA ASN A 50 -9.263 8.441 6.221 1.00 0.00 C ATOM 784 C ASN A 50 -10.482 9.336 6.078 1.00 0.00 C ATOM 785 O ASN A 50 -10.348 10.428 5.537 1.00 0.00 O ATOM 786 CB ASN A 50 -8.043 9.277 6.690 1.00 0.00 C ATOM 787 CG ASN A 50 -8.243 9.850 8.093 1.00 0.00 C ATOM 788 OD1 ASN A 50 -9.335 9.828 8.642 1.00 0.00 O ATOM 789 ND2 ASN A 50 -7.235 10.426 8.718 1.00 0.00 N ATOM 0 H ASN A 50 -8.268 8.206 4.393 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.384 7.662 6.974 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.150 8.652 6.678 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.871 10.092 5.987 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.376 10.841 9.639 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.314 10.457 8.280 1.00 0.00 H new ATOM 796 N GLN A 51 -11.663 8.903 6.503 1.00 0.00 N ATOM 797 CA GLN A 51 -12.890 9.698 6.475 1.00 0.00 C ATOM 798 C GLN A 51 -13.091 10.343 5.084 1.00 0.00 C ATOM 799 O GLN A 51 -13.360 11.540 4.965 1.00 0.00 O ATOM 800 CB GLN A 51 -12.850 10.733 7.618 1.00 0.00 C ATOM 801 CG GLN A 51 -12.611 10.113 9.008 1.00 0.00 C ATOM 802 CD GLN A 51 -12.222 11.105 10.104 1.00 0.00 C ATOM 803 OE1 GLN A 51 -11.579 12.220 9.803 1.00 0.00 O flip ATOM 804 NE2 GLN A 51 -12.498 10.861 11.276 1.00 0.00 N flip ATOM 0 H GLN A 51 -11.800 7.968 6.886 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.756 9.057 6.639 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.062 11.457 7.413 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.792 11.282 7.632 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.517 9.592 9.317 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.825 9.363 8.923 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.994 10.002 11.515 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.231 11.517 12.010 1.00 0.00 H new ATOM 813 N GLY A 52 -12.831 9.585 4.013 1.00 0.00 N ATOM 814 CA GLY A 52 -13.080 9.992 2.632 1.00 0.00 C ATOM 815 C GLY A 52 -11.859 10.426 1.798 1.00 0.00 C ATOM 816 O GLY A 52 -11.969 10.364 0.571 1.00 0.00 O ATOM 0 H GLY A 52 -12.432 8.649 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.564 9.162 2.117 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.791 10.818 2.646 1.00 0.00 H new ATOM 820 N THR A 53 -10.715 10.834 2.369 1.00 0.00 N ATOM 821 CA THR A 53 -9.561 11.340 1.601 1.00 0.00 C ATOM 822 C THR A 53 -8.807 10.224 0.854 1.00 0.00 C ATOM 823 O THR A 53 -9.295 9.097 0.752 1.00 0.00 O ATOM 824 CB THR A 53 -8.609 12.153 2.504 1.00 0.00 C ATOM 825 OG1 THR A 53 -8.835 11.956 3.878 1.00 0.00 O ATOM 826 CG2 THR A 53 -8.643 13.628 2.187 1.00 0.00 C ATOM 0 H THR A 53 -10.561 10.823 3.377 1.00 0.00 H new ATOM 0 HA THR A 53 -9.961 12.006 0.837 1.00 0.00 H new ATOM 0 HB THR A 53 -7.615 11.767 2.278 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.201 12.496 4.395 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.957 14.158 2.848 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.342 13.785 1.151 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.654 14.008 2.333 1.00 0.00 H new ATOM 834 N PHE A 54 -7.643 10.527 0.269 1.00 0.00 N ATOM 835 CA PHE A 54 -6.909 9.622 -0.609 1.00 0.00 C ATOM 836 C PHE A 54 -5.525 9.234 -0.056 1.00 0.00 C ATOM 837 O PHE A 54 -4.632 8.919 -0.835 1.00 0.00 O ATOM 838 CB PHE A 54 -6.859 10.244 -2.014 1.00 0.00 C ATOM 839 CG PHE A 54 -6.485 9.280 -3.125 1.00 0.00 C ATOM 840 CD1 PHE A 54 -7.376 8.257 -3.505 1.00 0.00 C ATOM 841 CD2 PHE A 54 -5.248 9.404 -3.784 1.00 0.00 C ATOM 842 CE1 PHE A 54 -7.038 7.383 -4.553 1.00 0.00 C ATOM 843 CE2 PHE A 54 -4.906 8.525 -4.826 1.00 0.00 C ATOM 844 CZ PHE A 54 -5.807 7.522 -5.217 1.00 0.00 C ATOM 0 H PHE A 54 -7.180 11.426 0.398 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.436 8.670 -0.667 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.834 10.675 -2.240 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.141 11.064 -2.007 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.319 8.144 -2.991 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.557 10.179 -3.487 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.725 6.604 -4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.953 8.621 -5.324 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.554 6.856 -6.029 1.00 0.00 H new ATOM 854 N ILE A 55 -5.330 9.256 1.270 1.00 0.00 N ATOM 855 CA ILE A 55 -4.007 9.145 1.912 1.00 0.00 C ATOM 856 C ILE A 55 -3.353 7.752 1.714 1.00 0.00 C ATOM 857 O ILE A 55 -2.232 7.537 2.174 1.00 0.00 O ATOM 858 CB ILE A 55 -4.060 9.658 3.392 1.00 0.00 C ATOM 859 CG1 ILE A 55 -4.587 11.120 3.454 1.00 0.00 C ATOM 860 CG2 ILE A 55 -2.693 9.646 4.113 1.00 0.00 C ATOM 861 CD1 ILE A 55 -4.952 11.634 4.857 1.00 0.00 C ATOM 0 H ILE A 55 -6.095 9.353 1.938 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.318 9.814 1.396 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.728 8.960 3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.829 11.779 3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.468 11.197 2.817 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.815 10.015 5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.305 8.628 4.140 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.993 10.287 3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.308 12.662 4.787 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.736 11.007 5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.071 11.598 5.498 1.00 0.00 H new ATOM 873 N ILE A 56 -3.984 6.777 1.040 1.00 0.00 N ATOM 874 CA ILE A 56 -3.346 5.543 0.602 1.00 0.00 C ATOM 875 C ILE A 56 -4.072 4.913 -0.599 1.00 0.00 C ATOM 876 O ILE A 56 -5.300 4.884 -0.647 1.00 0.00 O ATOM 877 CB ILE A 56 -3.254 4.601 1.816 1.00 0.00 C ATOM 878 CG1 ILE A 56 -2.611 3.252 1.454 1.00 0.00 C ATOM 879 CG2 ILE A 56 -4.598 4.421 2.540 1.00 0.00 C ATOM 880 CD1 ILE A 56 -1.777 2.777 2.634 1.00 0.00 C ATOM 0 H ILE A 56 -4.970 6.833 0.784 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.340 5.749 0.237 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.591 5.093 2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.381 2.518 1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.986 3.357 0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.468 3.746 3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.951 5.388 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.330 4.001 1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.315 1.820 2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.001 3.511 2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.417 2.659 3.508 1.00 0.00 H new ATOM 892 N GLY A 57 -3.300 4.337 -1.526 1.00 0.00 N ATOM 893 CA GLY A 57 -3.767 3.454 -2.588 1.00 0.00 C ATOM 894 C GLY A 57 -2.618 2.548 -3.035 1.00 0.00 C ATOM 895 O GLY A 57 -1.457 2.969 -2.982 1.00 0.00 O ATOM 0 H GLY A 57 -2.291 4.482 -1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.604 2.852 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.131 4.041 -3.431 1.00 0.00 H new ATOM 899 N PHE A 58 -2.900 1.328 -3.501 1.00 0.00 N ATOM 900 CA PHE A 58 -1.931 0.434 -4.143 1.00 0.00 C ATOM 901 C PHE A 58 -2.603 -0.379 -5.246 1.00 0.00 C ATOM 902 O PHE A 58 -3.796 -0.216 -5.512 1.00 0.00 O ATOM 903 CB PHE A 58 -1.144 -0.438 -3.137 1.00 0.00 C ATOM 904 CG PHE A 58 -1.889 -1.334 -2.168 1.00 0.00 C ATOM 905 CD1 PHE A 58 -2.280 -2.639 -2.530 1.00 0.00 C ATOM 906 CD2 PHE A 58 -2.029 -0.930 -0.829 1.00 0.00 C ATOM 907 CE1 PHE A 58 -2.881 -3.493 -1.586 1.00 0.00 C ATOM 908 CE2 PHE A 58 -2.629 -1.783 0.111 1.00 0.00 C ATOM 909 CZ PHE A 58 -3.074 -3.060 -0.266 1.00 0.00 C ATOM 0 H PHE A 58 -3.834 0.923 -3.441 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.171 1.059 -4.612 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.472 -1.073 -3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.520 0.232 -2.545 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.117 -2.986 -3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.673 0.042 -0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.194 -4.484 -1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.749 -1.454 1.133 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.560 -3.703 0.453 1.00 0.00 H new ATOM 919 N SER A 59 -1.852 -1.225 -5.956 1.00 0.00 N ATOM 920 CA SER A 59 -2.390 -2.233 -6.863 1.00 0.00 C ATOM 921 C SER A 59 -1.249 -3.196 -7.195 1.00 0.00 C ATOM 922 O SER A 59 -0.068 -2.836 -7.136 1.00 0.00 O ATOM 923 CB SER A 59 -2.999 -1.648 -8.158 1.00 0.00 C ATOM 924 OG SER A 59 -3.142 -0.240 -8.157 1.00 0.00 O ATOM 0 H SER A 59 -0.833 -1.225 -5.913 1.00 0.00 H new ATOM 0 HA SER A 59 -3.218 -2.738 -6.366 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.372 -1.936 -9.001 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.978 -2.100 -8.320 1.00 0.00 H new ATOM 0 HG SER A 59 -3.220 0.082 -9.079 1.00 0.00 H new ATOM 930 N THR A 60 -1.586 -4.433 -7.537 1.00 0.00 N ATOM 931 CA THR A 60 -0.618 -5.426 -7.958 1.00 0.00 C ATOM 932 C THR A 60 -0.050 -5.036 -9.328 1.00 0.00 C ATOM 933 O THR A 60 -0.791 -4.588 -10.211 1.00 0.00 O ATOM 934 CB THR A 60 -1.325 -6.788 -7.991 1.00 0.00 C ATOM 935 OG1 THR A 60 -2.599 -6.667 -8.605 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.551 -7.321 -6.574 1.00 0.00 C ATOM 0 H THR A 60 -2.547 -4.774 -7.528 1.00 0.00 H new ATOM 0 HA THR A 60 0.222 -5.484 -7.266 1.00 0.00 H new ATOM 0 HB THR A 60 -0.687 -7.470 -8.553 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.039 -7.543 -8.621 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.053 -8.287 -6.624 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.591 -7.437 -6.072 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.170 -6.619 -6.016 1.00 0.00 H new ATOM 944 N SER A 61 1.257 -5.203 -9.519 1.00 0.00 N ATOM 945 CA SER A 61 1.902 -5.079 -10.825 1.00 0.00 C ATOM 946 C SER A 61 2.183 -6.485 -11.369 1.00 0.00 C ATOM 947 O SER A 61 2.001 -7.490 -10.674 1.00 0.00 O ATOM 948 CB SER A 61 3.180 -4.221 -10.739 1.00 0.00 C ATOM 949 OG SER A 61 3.414 -3.674 -9.456 1.00 0.00 O ATOM 0 H SER A 61 1.905 -5.430 -8.764 1.00 0.00 H new ATOM 0 HA SER A 61 1.238 -4.561 -11.517 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.036 -4.831 -11.025 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.111 -3.409 -11.463 1.00 0.00 H new ATOM 0 HG SER A 61 2.980 -2.798 -9.390 1.00 0.00 H new ATOM 955 N LYS A 62 2.667 -6.588 -12.607 1.00 0.00 N ATOM 956 CA LYS A 62 2.969 -7.872 -13.241 1.00 0.00 C ATOM 957 C LYS A 62 4.201 -8.571 -12.657 1.00 0.00 C ATOM 958 O LYS A 62 4.545 -9.661 -13.119 1.00 0.00 O ATOM 959 CB LYS A 62 3.139 -7.684 -14.760 1.00 0.00 C ATOM 960 CG LYS A 62 2.515 -8.812 -15.594 1.00 0.00 C ATOM 961 CD LYS A 62 1.028 -8.662 -15.970 1.00 0.00 C ATOM 962 CE LYS A 62 0.094 -8.404 -14.783 1.00 0.00 C ATOM 963 NZ LYS A 62 -1.280 -8.894 -15.012 1.00 0.00 N ATOM 0 H LYS A 62 2.861 -5.781 -13.200 1.00 0.00 H new ATOM 0 HA LYS A 62 2.120 -8.523 -13.035 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.689 -6.736 -15.053 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.202 -7.617 -14.992 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.089 -8.910 -16.515 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.633 -9.746 -15.044 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.927 -7.841 -16.680 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.703 -9.568 -16.481 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.502 -8.886 -13.895 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.063 -7.334 -14.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.865 -8.692 -14.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.685 -8.416 -15.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.259 -9.920 -15.180 1.00 0.00 H new ATOM 977 N HIS A 63 4.928 -7.929 -11.733 1.00 0.00 N ATOM 978 CA HIS A 63 6.060 -8.545 -11.046 1.00 0.00 C ATOM 979 C HIS A 63 6.422 -7.859 -9.718 1.00 0.00 C ATOM 980 O HIS A 63 7.482 -8.129 -9.143 1.00 0.00 O ATOM 981 CB HIS A 63 7.276 -8.602 -11.983 1.00 0.00 C ATOM 982 CG HIS A 63 7.879 -9.972 -11.941 1.00 0.00 C ATOM 983 ND1 HIS A 63 8.730 -10.476 -10.982 1.00 0.00 N ATOM 984 CD2 HIS A 63 7.517 -10.996 -12.765 1.00 0.00 C ATOM 985 CE1 HIS A 63 8.910 -11.776 -11.246 1.00 0.00 C ATOM 986 NE2 HIS A 63 8.204 -12.139 -12.334 1.00 0.00 N ATOM 0 H HIS A 63 4.744 -6.968 -11.444 1.00 0.00 H new ATOM 0 HA HIS A 63 5.753 -9.557 -10.782 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.975 -8.357 -13.002 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.015 -7.859 -11.682 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.829 -10.937 -13.595 1.00 0.00 H new ATOM 0 HE1 HIS A 63 9.534 -12.441 -10.667 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.175 -13.065 -12.761 1.00 0.00 H new ATOM 994 N HIS A 64 5.610 -6.909 -9.258 1.00 0.00 N ATOM 995 CA HIS A 64 5.877 -6.072 -8.100 1.00 0.00 C ATOM 996 C HIS A 64 4.536 -5.664 -7.467 1.00 0.00 C ATOM 997 O HIS A 64 3.476 -6.115 -7.924 1.00 0.00 O ATOM 998 CB HIS A 64 6.814 -4.890 -8.483 1.00 0.00 C ATOM 999 CG HIS A 64 6.848 -4.406 -9.916 1.00 0.00 C ATOM 1000 ND1 HIS A 64 7.578 -4.969 -10.945 1.00 0.00 N ATOM 1001 CD2 HIS A 64 6.324 -3.229 -10.382 1.00 0.00 C ATOM 1002 CE1 HIS A 64 7.431 -4.181 -12.023 1.00 0.00 C ATOM 1003 NE2 HIS A 64 6.680 -3.112 -11.727 1.00 0.00 N ATOM 0 H HIS A 64 4.716 -6.697 -9.701 1.00 0.00 H new ATOM 0 HA HIS A 64 6.428 -6.617 -7.333 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.542 -4.040 -7.857 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.830 -5.175 -8.210 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.741 -2.520 -9.812 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.859 -4.382 -12.994 1.00 0.00 H new ATOM 0 HE2 HIS A 64 6.419 -2.358 -12.362 1.00 0.00 H new ATOM 1011 N LEU A 65 4.571 -4.863 -6.398 1.00 0.00 N ATOM 1012 CA LEU A 65 3.387 -4.307 -5.739 1.00 0.00 C ATOM 1013 C LEU A 65 3.639 -2.829 -5.456 1.00 0.00 C ATOM 1014 O LEU A 65 4.607 -2.483 -4.769 1.00 0.00 O ATOM 1015 CB LEU A 65 3.088 -5.061 -4.441 1.00 0.00 C ATOM 1016 CG LEU A 65 1.597 -5.054 -4.045 1.00 0.00 C ATOM 1017 CD1 LEU A 65 1.490 -5.577 -2.621 1.00 0.00 C ATOM 1018 CD2 LEU A 65 0.870 -3.723 -4.005 1.00 0.00 C ATOM 0 H LEU A 65 5.445 -4.577 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 65 2.519 -4.415 -6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.421 -6.093 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.671 -4.619 -3.633 1.00 0.00 H new ATOM 0 HG LEU A 65 1.131 -5.645 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.444 -5.583 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.888 -6.591 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.061 -4.932 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.167 -3.884 -3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.354 -3.065 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.900 -3.262 -4.992 1.00 0.00 H new ATOM 1030 N SER A 66 2.789 -1.979 -6.027 1.00 0.00 N ATOM 1031 CA SER A 66 3.021 -0.556 -6.248 1.00 0.00 C ATOM 1032 C SER A 66 2.346 0.264 -5.135 1.00 0.00 C ATOM 1033 O SER A 66 1.118 0.308 -5.099 1.00 0.00 O ATOM 1034 CB SER A 66 2.501 -0.178 -7.649 1.00 0.00 C ATOM 1035 OG SER A 66 2.514 -1.276 -8.552 1.00 0.00 O ATOM 0 H SER A 66 1.875 -2.280 -6.364 1.00 0.00 H new ATOM 0 HA SER A 66 4.087 -0.331 -6.209 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.484 0.205 -7.564 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.113 0.628 -8.054 1.00 0.00 H new ATOM 0 HG SER A 66 2.174 -0.986 -9.424 1.00 0.00 H new ATOM 1041 N VAL A 67 3.093 0.877 -4.213 1.00 0.00 N ATOM 1042 CA VAL A 67 2.565 1.363 -2.924 1.00 0.00 C ATOM 1043 C VAL A 67 2.986 2.826 -2.716 1.00 0.00 C ATOM 1044 O VAL A 67 4.102 3.199 -3.079 1.00 0.00 O ATOM 1045 CB VAL A 67 3.067 0.404 -1.819 1.00 0.00 C ATOM 1046 CG1 VAL A 67 2.707 0.760 -0.368 1.00 0.00 C ATOM 1047 CG2 VAL A 67 2.516 -1.003 -2.074 1.00 0.00 C ATOM 0 H VAL A 67 4.090 1.054 -4.336 1.00 0.00 H new ATOM 0 HA VAL A 67 1.475 1.360 -2.897 1.00 0.00 H new ATOM 0 HB VAL A 67 4.152 0.483 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.119 0.007 0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.123 1.736 -0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.623 0.789 -0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.870 -1.679 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.426 -0.975 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.859 -1.358 -3.046 1.00 0.00 H new ATOM 1057 N SER A 68 2.092 3.660 -2.178 1.00 0.00 N ATOM 1058 CA SER A 68 2.308 5.075 -1.876 1.00 0.00 C ATOM 1059 C SER A 68 1.121 5.620 -1.072 1.00 0.00 C ATOM 1060 O SER A 68 -0.013 5.213 -1.355 1.00 0.00 O ATOM 1061 CB SER A 68 2.378 5.862 -3.186 1.00 0.00 C ATOM 1062 OG SER A 68 2.707 7.221 -2.969 1.00 0.00 O ATOM 0 H SER A 68 1.152 3.350 -1.930 1.00 0.00 H new ATOM 0 HA SER A 68 3.232 5.178 -1.308 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.121 5.409 -3.842 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.419 5.798 -3.699 1.00 0.00 H new ATOM 0 HG SER A 68 2.022 7.792 -3.375 1.00 0.00 H new ATOM 1068 N PRO A 69 1.346 6.552 -0.120 1.00 0.00 N ATOM 1069 CA PRO A 69 0.256 7.235 0.547 1.00 0.00 C ATOM 1070 C PRO A 69 -0.381 8.293 -0.364 1.00 0.00 C ATOM 1071 O PRO A 69 -1.547 8.160 -0.706 1.00 0.00 O ATOM 1072 CB PRO A 69 0.865 7.858 1.806 1.00 0.00 C ATOM 1073 CG PRO A 69 2.338 8.055 1.450 1.00 0.00 C ATOM 1074 CD PRO A 69 2.616 6.886 0.501 1.00 0.00 C ATOM 0 HA PRO A 69 -0.551 6.548 0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.385 8.805 2.054 1.00 0.00 H new ATOM 0 HB3 PRO A 69 0.748 7.205 2.671 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.513 9.017 0.969 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.976 8.020 2.333 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.355 7.163 -0.251 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.019 6.032 1.045 1.00 0.00 H new ATOM 1082 N GLU A 70 0.387 9.257 -0.878 1.00 0.00 N ATOM 1083 CA GLU A 70 -0.080 10.263 -1.832 1.00 0.00 C ATOM 1084 C GLU A 70 1.113 10.592 -2.724 1.00 0.00 C ATOM 1085 O GLU A 70 1.284 9.989 -3.785 1.00 0.00 O ATOM 1086 CB GLU A 70 -0.649 11.532 -1.151 1.00 0.00 C ATOM 1087 CG GLU A 70 -1.908 11.284 -0.308 1.00 0.00 C ATOM 1088 CD GLU A 70 -2.723 12.545 0.006 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -2.297 13.672 -0.342 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -3.855 12.415 0.526 1.00 0.00 O ATOM 0 H GLU A 70 1.372 9.361 -0.636 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.916 9.867 -2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.122 11.965 -0.513 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.879 12.270 -1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.548 10.575 -0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.614 10.814 0.630 1.00 0.00 H new ATOM 1097 N GLU A 71 1.970 11.497 -2.251 1.00 0.00 N ATOM 1098 CA GLU A 71 3.172 11.956 -2.940 1.00 0.00 C ATOM 1099 C GLU A 71 4.382 11.925 -2.007 1.00 0.00 C ATOM 1100 O GLU A 71 5.419 11.391 -2.389 1.00 0.00 O ATOM 1101 CB GLU A 71 2.975 13.340 -3.589 1.00 0.00 C ATOM 1102 CG GLU A 71 2.279 14.371 -2.679 1.00 0.00 C ATOM 1103 CD GLU A 71 2.433 15.833 -3.127 1.00 0.00 C ATOM 1104 OE1 GLU A 71 3.319 16.149 -3.953 1.00 0.00 O ATOM 1105 OE2 GLU A 71 1.766 16.715 -2.535 1.00 0.00 O ATOM 0 H GLU A 71 1.840 11.946 -1.344 1.00 0.00 H new ATOM 0 HA GLU A 71 3.369 11.261 -3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.948 13.732 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.388 13.222 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.217 14.131 -2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.677 14.271 -1.669 1.00 0.00 H new ATOM 1112 N ILE A 72 4.259 12.431 -0.771 1.00 0.00 N ATOM 1113 CA ILE A 72 5.404 12.705 0.098 1.00 0.00 C ATOM 1114 C ILE A 72 6.254 11.460 0.368 1.00 0.00 C ATOM 1115 O ILE A 72 7.484 11.542 0.427 1.00 0.00 O ATOM 1116 CB ILE A 72 4.924 13.389 1.395 1.00 0.00 C ATOM 1117 CG1 ILE A 72 6.132 14.052 2.082 1.00 0.00 C ATOM 1118 CG2 ILE A 72 4.159 12.442 2.345 1.00 0.00 C ATOM 1119 CD1 ILE A 72 5.728 15.060 3.155 1.00 0.00 C ATOM 0 H ILE A 72 3.359 12.661 -0.349 1.00 0.00 H new ATOM 0 HA ILE A 72 6.069 13.393 -0.424 1.00 0.00 H new ATOM 0 HB ILE A 72 4.193 14.151 1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.756 13.280 2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.740 14.554 1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.852 12.990 3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.277 12.052 1.837 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.807 11.615 2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.623 15.493 3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.128 15.851 2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.144 14.557 3.926 1.00 0.00 H new ATOM 1131 N GLY A 73 5.596 10.298 0.469 1.00 0.00 N ATOM 1132 CA GLY A 73 6.207 8.985 0.631 1.00 0.00 C ATOM 1133 C GLY A 73 7.249 8.671 -0.440 1.00 0.00 C ATOM 1134 O GLY A 73 8.149 7.866 -0.218 1.00 0.00 O ATOM 0 H GLY A 73 4.577 10.252 0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.676 8.928 1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.428 8.223 0.605 1.00 0.00 H new ATOM 1138 N ILE A 74 7.138 9.303 -1.604 1.00 0.00 N ATOM 1139 CA ILE A 74 7.947 9.056 -2.785 1.00 0.00 C ATOM 1140 C ILE A 74 8.831 10.277 -3.075 1.00 0.00 C ATOM 1141 O ILE A 74 9.662 10.258 -3.988 1.00 0.00 O ATOM 1142 CB ILE A 74 7.021 8.706 -3.967 1.00 0.00 C ATOM 1143 CG1 ILE A 74 5.818 7.813 -3.591 1.00 0.00 C ATOM 1144 CG2 ILE A 74 7.837 8.035 -5.078 1.00 0.00 C ATOM 1145 CD1 ILE A 74 6.188 6.464 -2.965 1.00 0.00 C ATOM 0 H ILE A 74 6.446 10.037 -1.753 1.00 0.00 H new ATOM 0 HA ILE A 74 8.614 8.209 -2.622 1.00 0.00 H new ATOM 0 HB ILE A 74 6.597 9.650 -4.309 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.183 8.359 -2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.225 7.631 -4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.181 7.788 -5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.617 8.716 -5.418 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.294 7.123 -4.694 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.279 5.908 -2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.796 5.892 -3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.753 6.631 -2.048 1.00 0.00 H new ATOM 1157 N SER A 75 8.681 11.343 -2.296 1.00 0.00 N ATOM 1158 CA SER A 75 9.494 12.528 -2.398 1.00 0.00 C ATOM 1159 C SER A 75 10.690 12.370 -1.458 1.00 0.00 C ATOM 1160 O SER A 75 11.798 12.100 -1.935 1.00 0.00 O ATOM 1161 CB SER A 75 8.612 13.742 -2.107 1.00 0.00 C ATOM 1162 OG SER A 75 7.569 13.773 -3.067 1.00 0.00 O ATOM 0 H SER A 75 7.973 11.399 -1.564 1.00 0.00 H new ATOM 0 HA SER A 75 9.904 12.678 -3.397 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.200 13.680 -1.100 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.200 14.659 -2.155 1.00 0.00 H new ATOM 0 HG SER A 75 6.907 13.083 -2.853 1.00 0.00 H new ATOM 1168 N GLN A 76 10.480 12.463 -0.136 1.00 0.00 N ATOM 1169 CA GLN A 76 11.565 12.498 0.832 1.00 0.00 C ATOM 1170 C GLN A 76 11.976 11.081 1.185 1.00 0.00 C ATOM 1171 O GLN A 76 13.163 10.751 1.099 1.00 0.00 O ATOM 1172 CB GLN A 76 11.224 13.368 2.060 1.00 0.00 C ATOM 1173 CG GLN A 76 9.885 13.079 2.766 1.00 0.00 C ATOM 1174 CD GLN A 76 9.583 14.084 3.872 1.00 0.00 C ATOM 1175 OE1 GLN A 76 9.599 13.752 5.057 1.00 0.00 O ATOM 1176 NE2 GLN A 76 9.289 15.318 3.506 1.00 0.00 N ATOM 0 H GLN A 76 9.551 12.515 0.282 1.00 0.00 H new ATOM 0 HA GLN A 76 12.429 12.987 0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.025 13.253 2.790 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.225 14.412 1.747 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.079 13.097 2.032 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.909 12.074 3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.282 15.569 2.517 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.069 16.021 4.212 1.00 0.00 H new ATOM 1185 N PHE A 77 11.010 10.217 1.517 1.00 0.00 N ATOM 1186 CA PHE A 77 11.316 8.870 1.983 1.00 0.00 C ATOM 1187 C PHE A 77 11.889 7.984 0.872 1.00 0.00 C ATOM 1188 O PHE A 77 12.432 6.911 1.143 1.00 0.00 O ATOM 1189 CB PHE A 77 10.107 8.181 2.618 1.00 0.00 C ATOM 1190 CG PHE A 77 9.363 8.962 3.680 1.00 0.00 C ATOM 1191 CD1 PHE A 77 8.428 9.934 3.291 1.00 0.00 C ATOM 1192 CD2 PHE A 77 9.542 8.671 5.045 1.00 0.00 C ATOM 1193 CE1 PHE A 77 7.671 10.624 4.247 1.00 0.00 C ATOM 1194 CE2 PHE A 77 8.764 9.343 6.009 1.00 0.00 C ATOM 1195 CZ PHE A 77 7.837 10.323 5.607 1.00 0.00 C ATOM 0 H PHE A 77 10.014 10.431 1.470 1.00 0.00 H new ATOM 0 HA PHE A 77 12.079 8.998 2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.403 7.928 1.825 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.442 7.242 3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.290 10.153 2.242 1.00 0.00 H new ATOM 0 HD2 PHE A 77 10.272 7.937 5.352 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.965 11.382 3.939 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.879 9.106 7.056 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.251 10.845 6.349 1.00 0.00 H new ATOM 1205 N ALA A 78 11.789 8.420 -0.389 1.00 0.00 N ATOM 1206 CA ALA A 78 12.310 7.653 -1.506 1.00 0.00 C ATOM 1207 C ALA A 78 13.831 7.467 -1.444 1.00 0.00 C ATOM 1208 O ALA A 78 14.342 6.541 -2.083 1.00 0.00 O ATOM 1209 CB ALA A 78 11.887 8.315 -2.810 1.00 0.00 C ATOM 0 H ALA A 78 11.350 9.302 -0.653 1.00 0.00 H new ATOM 0 HA ALA A 78 11.887 6.650 -1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.276 7.742 -3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.799 8.348 -2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.283 9.330 -2.848 1.00 0.00 H new ATOM 1215 N ASP A 79 14.558 8.321 -0.715 1.00 0.00 N ATOM 1216 CA ASP A 79 16.005 8.174 -0.559 1.00 0.00 C ATOM 1217 C ASP A 79 16.331 6.999 0.362 1.00 0.00 C ATOM 1218 O ASP A 79 17.158 6.152 0.019 1.00 0.00 O ATOM 1219 CB ASP A 79 16.649 9.474 -0.062 1.00 0.00 C ATOM 1220 CG ASP A 79 18.174 9.373 -0.127 1.00 0.00 C ATOM 1221 OD1 ASP A 79 18.682 9.075 -1.232 1.00 0.00 O ATOM 1222 OD2 ASP A 79 18.837 9.593 0.914 1.00 0.00 O ATOM 0 H ASP A 79 14.164 9.123 -0.223 1.00 0.00 H new ATOM 0 HA ASP A 79 16.430 7.960 -1.539 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.308 10.312 -0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.335 9.674 0.962 1.00 0.00 H new ATOM 1227 N ALA A 80 15.621 6.890 1.489 1.00 0.00 N ATOM 1228 CA ALA A 80 15.676 5.732 2.368 1.00 0.00 C ATOM 1229 C ALA A 80 15.281 4.457 1.609 1.00 0.00 C ATOM 1230 O ALA A 80 15.950 3.435 1.755 1.00 0.00 O ATOM 1231 CB ALA A 80 14.780 5.976 3.592 1.00 0.00 C ATOM 0 H ALA A 80 14.985 7.617 1.815 1.00 0.00 H new ATOM 0 HA ALA A 80 16.698 5.587 2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.821 5.109 4.251 1.00 0.00 H new ATOM 0 HB2 ALA A 80 15.130 6.857 4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.753 6.135 3.265 1.00 0.00 H new ATOM 1237 N ILE A 81 14.229 4.495 0.780 1.00 0.00 N ATOM 1238 CA ILE A 81 13.807 3.344 -0.032 1.00 0.00 C ATOM 1239 C ILE A 81 14.933 2.923 -0.986 1.00 0.00 C ATOM 1240 O ILE A 81 15.163 1.724 -1.166 1.00 0.00 O ATOM 1241 CB ILE A 81 12.487 3.656 -0.781 1.00 0.00 C ATOM 1242 CG1 ILE A 81 11.319 3.789 0.222 1.00 0.00 C ATOM 1243 CG2 ILE A 81 12.132 2.565 -1.815 1.00 0.00 C ATOM 1244 CD1 ILE A 81 10.096 4.514 -0.350 1.00 0.00 C ATOM 0 H ILE A 81 13.647 5.323 0.653 1.00 0.00 H new ATOM 0 HA ILE A 81 13.606 2.499 0.626 1.00 0.00 H new ATOM 0 HB ILE A 81 12.640 4.596 -1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 81 11.019 2.794 0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.669 4.325 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.199 2.827 -2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.930 2.490 -2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 81 12.015 1.607 -1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.317 4.569 0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.379 5.522 -0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.720 3.967 -1.215 1.00 0.00 H new ATOM 1256 N ALA A 82 15.630 3.882 -1.607 1.00 0.00 N ATOM 1257 CA ALA A 82 16.739 3.584 -2.506 1.00 0.00 C ATOM 1258 C ALA A 82 17.791 2.743 -1.789 1.00 0.00 C ATOM 1259 O ALA A 82 18.101 1.642 -2.242 1.00 0.00 O ATOM 1260 CB ALA A 82 17.343 4.866 -3.090 1.00 0.00 C ATOM 0 H ALA A 82 15.439 4.878 -1.498 1.00 0.00 H new ATOM 0 HA ALA A 82 16.355 3.002 -3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.167 4.609 -3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.579 5.406 -3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.713 5.495 -2.281 1.00 0.00 H new ATOM 1266 N GLN A 83 18.287 3.239 -0.657 1.00 0.00 N ATOM 1267 CA GLN A 83 19.337 2.595 0.129 1.00 0.00 C ATOM 1268 C GLN A 83 18.833 1.354 0.866 1.00 0.00 C ATOM 1269 O GLN A 83 19.648 0.582 1.381 1.00 0.00 O ATOM 1270 CB GLN A 83 19.897 3.605 1.127 1.00 0.00 C ATOM 1271 CG GLN A 83 20.639 4.736 0.386 1.00 0.00 C ATOM 1272 CD GLN A 83 20.754 6.026 1.181 1.00 0.00 C ATOM 1273 OE1 GLN A 83 21.759 6.282 1.842 1.00 0.00 O ATOM 1274 NE2 GLN A 83 19.731 6.858 1.120 1.00 0.00 N ATOM 0 H GLN A 83 17.963 4.118 -0.253 1.00 0.00 H new ATOM 0 HA GLN A 83 20.117 2.262 -0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 83 19.087 4.023 1.725 1.00 0.00 H new ATOM 0 HB3 GLN A 83 20.577 3.106 1.817 1.00 0.00 H new ATOM 0 HG2 GLN A 83 21.640 4.391 0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 83 20.121 4.944 -0.550 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.911 6.618 0.563 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.761 7.741 1.630 1.00 0.00 H new ATOM 1283 N ALA A 84 17.514 1.147 0.947 1.00 0.00 N ATOM 1284 CA ALA A 84 16.962 -0.107 1.427 1.00 0.00 C ATOM 1285 C ALA A 84 17.118 -1.206 0.367 1.00 0.00 C ATOM 1286 O ALA A 84 17.232 -2.384 0.703 1.00 0.00 O ATOM 1287 CB ALA A 84 15.495 0.064 1.831 1.00 0.00 C ATOM 0 H ALA A 84 16.814 1.840 0.683 1.00 0.00 H new ATOM 0 HA ALA A 84 17.519 -0.411 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.102 -0.888 2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 84 15.420 0.807 2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.916 0.395 0.969 1.00 0.00 H new ATOM 1293 N GLY A 85 17.184 -0.838 -0.916 1.00 0.00 N ATOM 1294 CA GLY A 85 17.493 -1.746 -2.014 1.00 0.00 C ATOM 1295 C GLY A 85 16.459 -1.728 -3.135 1.00 0.00 C ATOM 1296 O GLY A 85 16.569 -2.537 -4.065 1.00 0.00 O ATOM 0 H GLY A 85 17.020 0.121 -1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.467 -1.485 -2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.574 -2.760 -1.623 1.00 0.00 H new ATOM 1300 N TYR A 86 15.457 -0.848 -3.073 1.00 0.00 N ATOM 1301 CA TYR A 86 14.332 -0.861 -3.998 1.00 0.00 C ATOM 1302 C TYR A 86 14.348 0.375 -4.892 1.00 0.00 C ATOM 1303 O TYR A 86 14.978 1.393 -4.580 1.00 0.00 O ATOM 1304 CB TYR A 86 13.030 -1.027 -3.197 1.00 0.00 C ATOM 1305 CG TYR A 86 12.984 -2.330 -2.414 1.00 0.00 C ATOM 1306 CD1 TYR A 86 13.145 -3.551 -3.097 1.00 0.00 C ATOM 1307 CD2 TYR A 86 12.917 -2.319 -1.005 1.00 0.00 C ATOM 1308 CE1 TYR A 86 13.282 -4.748 -2.382 1.00 0.00 C ATOM 1309 CE2 TYR A 86 13.044 -3.522 -0.286 1.00 0.00 C ATOM 1310 CZ TYR A 86 13.244 -4.738 -0.973 1.00 0.00 C ATOM 1311 OH TYR A 86 13.471 -5.884 -0.283 1.00 0.00 O ATOM 0 H TYR A 86 15.407 -0.105 -2.376 1.00 0.00 H new ATOM 0 HA TYR A 86 14.408 -1.709 -4.678 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.923 -0.190 -2.507 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.181 -0.988 -3.879 1.00 0.00 H new ATOM 0 HD1 TYR A 86 13.163 -3.565 -4.177 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.768 -1.388 -0.478 1.00 0.00 H new ATOM 0 HE1 TYR A 86 13.417 -5.680 -2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 86 12.988 -3.514 0.793 1.00 0.00 H new ATOM 0 HH TYR A 86 13.821 -6.568 -0.891 1.00 0.00 H new ATOM 1321 N SER A 87 13.632 0.290 -6.010 1.00 0.00 N ATOM 1322 CA SER A 87 13.353 1.416 -6.885 1.00 0.00 C ATOM 1323 C SER A 87 12.031 2.058 -6.461 1.00 0.00 C ATOM 1324 O SER A 87 11.269 1.512 -5.656 1.00 0.00 O ATOM 1325 CB SER A 87 13.270 0.926 -8.334 1.00 0.00 C ATOM 1326 OG SER A 87 14.540 0.560 -8.829 1.00 0.00 O ATOM 0 H SER A 87 13.222 -0.585 -6.337 1.00 0.00 H new ATOM 0 HA SER A 87 14.150 2.156 -6.812 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.595 0.072 -8.392 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.846 1.710 -8.961 1.00 0.00 H new ATOM 0 HG SER A 87 14.453 0.250 -9.755 1.00 0.00 H new ATOM 1332 N ALA A 88 11.711 3.189 -7.076 1.00 0.00 N ATOM 1333 CA ALA A 88 10.389 3.782 -7.026 1.00 0.00 C ATOM 1334 C ALA A 88 9.981 4.201 -8.439 1.00 0.00 C ATOM 1335 O ALA A 88 10.569 3.737 -9.418 1.00 0.00 O ATOM 1336 CB ALA A 88 10.385 4.922 -5.998 1.00 0.00 C ATOM 0 H ALA A 88 12.377 3.726 -7.632 1.00 0.00 H new ATOM 0 HA ALA A 88 9.636 3.070 -6.688 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.393 5.371 -5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.646 4.527 -5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.114 5.678 -6.290 1.00 0.00 H new ATOM 1342 N THR A 89 8.938 5.006 -8.551 1.00 0.00 N ATOM 1343 CA THR A 89 8.668 5.945 -9.623 1.00 0.00 C ATOM 1344 C THR A 89 8.628 7.323 -8.943 1.00 0.00 C ATOM 1345 O THR A 89 8.978 7.439 -7.766 1.00 0.00 O ATOM 1346 CB THR A 89 7.360 5.571 -10.351 1.00 0.00 C ATOM 1347 OG1 THR A 89 6.230 5.776 -9.529 1.00 0.00 O ATOM 1348 CG2 THR A 89 7.338 4.119 -10.834 1.00 0.00 C ATOM 0 H THR A 89 8.205 5.020 -7.842 1.00 0.00 H new ATOM 0 HA THR A 89 9.426 5.938 -10.406 1.00 0.00 H new ATOM 0 HB THR A 89 7.321 6.230 -11.218 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.496 6.141 -10.067 1.00 0.00 H new ATOM 0 HG21 THR A 89 6.393 3.917 -11.338 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.162 3.954 -11.529 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.444 3.450 -9.980 1.00 0.00 H new ATOM 1356 N LYS A 90 8.176 8.381 -9.623 1.00 0.00 N ATOM 1357 CA LYS A 90 7.850 9.611 -8.898 1.00 0.00 C ATOM 1358 C LYS A 90 6.622 9.449 -8.010 1.00 0.00 C ATOM 1359 O LYS A 90 6.517 10.190 -7.034 1.00 0.00 O ATOM 1360 CB LYS A 90 7.626 10.804 -9.830 1.00 0.00 C ATOM 1361 CG LYS A 90 8.947 11.386 -10.342 1.00 0.00 C ATOM 1362 CD LYS A 90 8.781 12.889 -10.574 1.00 0.00 C ATOM 1363 CE LYS A 90 10.081 13.508 -11.073 1.00 0.00 C ATOM 1364 NZ LYS A 90 9.911 14.944 -11.352 1.00 0.00 N ATOM 0 H LYS A 90 8.032 8.414 -10.632 1.00 0.00 H new ATOM 0 HA LYS A 90 8.722 9.810 -8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.014 10.493 -10.677 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.069 11.578 -9.302 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.742 11.204 -9.619 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.240 10.893 -11.269 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.988 13.064 -11.301 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.475 13.373 -9.646 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.863 13.369 -10.327 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.408 12.995 -11.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.811 15.341 -11.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.180 15.072 -12.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.622 15.435 -10.482 1.00 0.00 H new ATOM 1378 N GLY A 91 5.697 8.551 -8.359 1.00 0.00 N ATOM 1379 CA GLY A 91 4.346 8.543 -7.816 1.00 0.00 C ATOM 1380 C GLY A 91 4.032 7.348 -6.926 1.00 0.00 C ATOM 1381 O GLY A 91 3.023 7.382 -6.222 1.00 0.00 O ATOM 0 H GLY A 91 5.871 7.805 -9.032 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.193 9.457 -7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.635 8.562 -8.642 1.00 0.00 H new ATOM 1385 N LEU A 92 4.850 6.293 -6.932 1.00 0.00 N ATOM 1386 CA LEU A 92 4.753 5.189 -5.984 1.00 0.00 C ATOM 1387 C LEU A 92 6.093 4.479 -5.858 1.00 0.00 C ATOM 1388 O LEU A 92 6.984 4.713 -6.669 1.00 0.00 O ATOM 1389 CB LEU A 92 3.575 4.244 -6.316 1.00 0.00 C ATOM 1390 CG LEU A 92 3.427 3.783 -7.778 1.00 0.00 C ATOM 1391 CD1 LEU A 92 4.557 2.850 -8.221 1.00 0.00 C ATOM 1392 CD2 LEU A 92 2.061 3.117 -7.956 1.00 0.00 C ATOM 0 H LEU A 92 5.608 6.183 -7.606 1.00 0.00 H new ATOM 0 HA LEU A 92 4.520 5.593 -4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.669 3.356 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.651 4.743 -6.025 1.00 0.00 H new ATOM 0 HG LEU A 92 3.496 4.662 -8.419 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.401 2.557 -9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.512 3.367 -8.129 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.563 1.961 -7.590 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.949 2.788 -8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.986 2.257 -7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.274 3.831 -7.715 1.00 0.00 H new ATOM 1404 N PHE A 93 6.267 3.628 -4.848 1.00 0.00 N ATOM 1405 CA PHE A 93 7.448 2.773 -4.730 1.00 0.00 C ATOM 1406 C PHE A 93 7.097 1.343 -5.129 1.00 0.00 C ATOM 1407 O PHE A 93 5.916 1.000 -5.248 1.00 0.00 O ATOM 1408 CB PHE A 93 8.139 2.898 -3.364 1.00 0.00 C ATOM 1409 CG PHE A 93 7.355 2.416 -2.160 1.00 0.00 C ATOM 1410 CD1 PHE A 93 7.218 1.038 -1.906 1.00 0.00 C ATOM 1411 CD2 PHE A 93 6.778 3.346 -1.275 1.00 0.00 C ATOM 1412 CE1 PHE A 93 6.473 0.600 -0.800 1.00 0.00 C ATOM 1413 CE2 PHE A 93 6.021 2.904 -0.179 1.00 0.00 C ATOM 1414 CZ PHE A 93 5.866 1.531 0.049 1.00 0.00 C ATOM 0 H PHE A 93 5.595 3.512 -4.090 1.00 0.00 H new ATOM 0 HA PHE A 93 8.204 3.122 -5.434 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.076 2.343 -3.404 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.395 3.946 -3.206 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.686 0.319 -2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.918 4.404 -1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.368 -0.457 -0.604 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.560 3.620 0.486 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.274 1.189 0.885 1.00 0.00 H new ATOM 1424 N ARG A 94 8.115 0.508 -5.374 1.00 0.00 N ATOM 1425 CA ARG A 94 7.922 -0.846 -5.884 1.00 0.00 C ATOM 1426 C ARG A 94 8.863 -1.797 -5.177 1.00 0.00 C ATOM 1427 O ARG A 94 10.072 -1.573 -5.183 1.00 0.00 O ATOM 1428 CB ARG A 94 8.092 -0.869 -7.414 1.00 0.00 C ATOM 1429 CG ARG A 94 9.495 -0.610 -7.988 1.00 0.00 C ATOM 1430 CD ARG A 94 10.193 -1.926 -8.364 1.00 0.00 C ATOM 1431 NE ARG A 94 10.079 -2.205 -9.805 1.00 0.00 N ATOM 1432 CZ ARG A 94 10.916 -2.934 -10.552 1.00 0.00 C ATOM 1433 NH1 ARG A 94 11.959 -3.558 -10.017 1.00 0.00 N ATOM 1434 NH2 ARG A 94 10.696 -3.021 -11.856 1.00 0.00 N ATOM 0 H ARG A 94 9.093 0.756 -5.223 1.00 0.00 H new ATOM 0 HA ARG A 94 6.906 -1.180 -5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.759 -1.843 -7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.416 -0.126 -7.836 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.419 0.029 -8.868 1.00 0.00 H new ATOM 0 HG3 ARG A 94 10.097 -0.072 -7.255 1.00 0.00 H new ATOM 0 HD2 ARG A 94 11.245 -1.874 -8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.753 -2.747 -7.798 1.00 0.00 H new ATOM 0 HE ARG A 94 9.276 -1.799 -10.285 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.137 -3.488 -9.015 1.00 0.00 H new ATOM 0 HH12 ARG A 94 12.583 -4.108 -10.608 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.900 -2.537 -12.272 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.322 -3.572 -12.443 1.00 0.00 H new ATOM 1448 N ILE A 95 8.322 -2.867 -4.611 1.00 0.00 N ATOM 1449 CA ILE A 95 9.126 -4.009 -4.190 1.00 0.00 C ATOM 1450 C ILE A 95 8.869 -5.098 -5.230 1.00 0.00 C ATOM 1451 O ILE A 95 7.727 -5.238 -5.679 1.00 0.00 O ATOM 1452 CB ILE A 95 8.741 -4.424 -2.748 1.00 0.00 C ATOM 1453 CG1 ILE A 95 9.119 -3.301 -1.755 1.00 0.00 C ATOM 1454 CG2 ILE A 95 9.445 -5.702 -2.276 1.00 0.00 C ATOM 1455 CD1 ILE A 95 7.941 -2.403 -1.400 1.00 0.00 C ATOM 0 H ILE A 95 7.323 -2.969 -4.431 1.00 0.00 H new ATOM 0 HA ILE A 95 10.193 -3.791 -4.147 1.00 0.00 H new ATOM 0 HB ILE A 95 7.666 -4.606 -2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.517 -3.747 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.915 -2.694 -2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.131 -5.936 -1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.181 -6.528 -2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.524 -5.552 -2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.268 -1.634 -0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.558 -1.931 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.153 -3.001 -0.941 1.00 0.00 H new ATOM 1467 N PRO A 96 9.877 -5.899 -5.610 1.00 0.00 N ATOM 1468 CA PRO A 96 9.706 -6.995 -6.548 1.00 0.00 C ATOM 1469 C PRO A 96 9.146 -8.210 -5.796 1.00 0.00 C ATOM 1470 O PRO A 96 9.468 -8.409 -4.625 1.00 0.00 O ATOM 1471 CB PRO A 96 11.120 -7.193 -7.107 1.00 0.00 C ATOM 1472 CG PRO A 96 12.016 -6.922 -5.903 1.00 0.00 C ATOM 1473 CD PRO A 96 11.284 -5.760 -5.240 1.00 0.00 C ATOM 0 HA PRO A 96 8.997 -6.820 -7.358 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.261 -8.202 -7.494 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.328 -6.505 -7.926 1.00 0.00 H new ATOM 0 HG2 PRO A 96 12.093 -7.788 -5.245 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.031 -6.654 -6.198 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.406 -5.790 -4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.683 -4.804 -5.580 1.00 0.00 H new ATOM 1481 N TRP A 97 8.298 -9.026 -6.431 1.00 0.00 N ATOM 1482 CA TRP A 97 7.561 -10.074 -5.718 1.00 0.00 C ATOM 1483 C TRP A 97 8.434 -11.065 -4.946 1.00 0.00 C ATOM 1484 O TRP A 97 7.995 -11.582 -3.924 1.00 0.00 O ATOM 1485 CB TRP A 97 6.658 -10.849 -6.677 1.00 0.00 C ATOM 1486 CG TRP A 97 5.367 -10.179 -7.019 1.00 0.00 C ATOM 1487 CD1 TRP A 97 4.800 -10.194 -8.241 1.00 0.00 C ATOM 1488 CD2 TRP A 97 4.378 -9.576 -6.126 1.00 0.00 C ATOM 1489 NE1 TRP A 97 3.572 -9.573 -8.191 1.00 0.00 N ATOM 1490 CE2 TRP A 97 3.263 -9.161 -6.914 1.00 0.00 C ATOM 1491 CE3 TRP A 97 4.278 -9.391 -4.727 1.00 0.00 C ATOM 1492 CZ2 TRP A 97 2.142 -8.530 -6.360 1.00 0.00 C ATOM 1493 CZ3 TRP A 97 3.140 -8.800 -4.153 1.00 0.00 C ATOM 1494 CH2 TRP A 97 2.079 -8.363 -4.971 1.00 0.00 C ATOM 0 H TRP A 97 8.106 -8.981 -7.432 1.00 0.00 H new ATOM 0 HA TRP A 97 6.972 -9.537 -4.975 1.00 0.00 H new ATOM 0 HB2 TRP A 97 7.208 -11.033 -7.600 1.00 0.00 H new ATOM 0 HB3 TRP A 97 6.438 -11.822 -6.237 1.00 0.00 H new ATOM 0 HD1 TRP A 97 5.242 -10.628 -9.126 1.00 0.00 H new ATOM 0 HE1 TRP A 97 2.966 -9.435 -9.000 1.00 0.00 H new ATOM 0 HE3 TRP A 97 5.090 -9.709 -4.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.340 -8.178 -6.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.078 -8.680 -3.081 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.213 -7.897 -4.525 1.00 0.00 H new ATOM 1505 N ASN A 98 9.653 -11.331 -5.413 1.00 0.00 N ATOM 1506 CA ASN A 98 10.586 -12.242 -4.768 1.00 0.00 C ATOM 1507 C ASN A 98 11.062 -11.753 -3.403 1.00 0.00 C ATOM 1508 O ASN A 98 11.396 -12.579 -2.557 1.00 0.00 O ATOM 1509 CB ASN A 98 11.793 -12.466 -5.683 1.00 0.00 C ATOM 1510 CG ASN A 98 12.579 -11.195 -5.970 1.00 0.00 C ATOM 1511 OD1 ASN A 98 12.053 -10.294 -6.620 1.00 0.00 O ATOM 1512 ND2 ASN A 98 13.823 -11.088 -5.544 1.00 0.00 N ATOM 0 H ASN A 98 10.023 -10.910 -6.265 1.00 0.00 H new ATOM 0 HA ASN A 98 10.051 -13.176 -4.597 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.457 -13.199 -5.224 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.451 -12.893 -6.626 1.00 0.00 H new ATOM 0 HD21 ASN A 98 14.363 -10.248 -5.753 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.245 -11.845 -5.006 1.00 0.00 H new ATOM 1519 N ASP A 99 11.074 -10.446 -3.159 1.00 0.00 N ATOM 1520 CA ASP A 99 11.808 -9.837 -2.048 1.00 0.00 C ATOM 1521 C ASP A 99 10.825 -9.178 -1.061 1.00 0.00 C ATOM 1522 O ASP A 99 9.655 -9.000 -1.413 1.00 0.00 O ATOM 1523 CB ASP A 99 12.824 -8.860 -2.662 1.00 0.00 C ATOM 1524 CG ASP A 99 14.165 -8.818 -1.940 1.00 0.00 C ATOM 1525 OD1 ASP A 99 14.654 -9.875 -1.481 1.00 0.00 O ATOM 1526 OD2 ASP A 99 14.723 -7.698 -1.861 1.00 0.00 O ATOM 0 H ASP A 99 10.569 -9.770 -3.732 1.00 0.00 H new ATOM 0 HA ASP A 99 12.353 -10.574 -1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.993 -9.136 -3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.393 -7.859 -2.663 1.00 0.00 H new ATOM 1531 N PRO A 100 11.201 -8.869 0.192 1.00 0.00 N ATOM 1532 CA PRO A 100 10.231 -8.455 1.194 1.00 0.00 C ATOM 1533 C PRO A 100 9.818 -6.993 1.076 1.00 0.00 C ATOM 1534 O PRO A 100 10.598 -6.103 0.750 1.00 0.00 O ATOM 1535 CB PRO A 100 10.897 -8.709 2.540 1.00 0.00 C ATOM 1536 CG PRO A 100 12.375 -8.525 2.237 1.00 0.00 C ATOM 1537 CD PRO A 100 12.490 -9.089 0.825 1.00 0.00 C ATOM 0 HA PRO A 100 9.307 -9.019 1.064 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.551 -8.007 3.299 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.684 -9.711 2.912 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.672 -7.477 2.282 1.00 0.00 H new ATOM 0 HG3 PRO A 100 13.005 -9.065 2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 100 13.285 -8.591 0.271 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.735 -10.151 0.849 1.00 0.00 H new ATOM 1545 N VAL A 101 8.570 -6.744 1.446 1.00 0.00 N ATOM 1546 CA VAL A 101 8.021 -5.413 1.611 1.00 0.00 C ATOM 1547 C VAL A 101 8.608 -4.836 2.900 1.00 0.00 C ATOM 1548 O VAL A 101 8.503 -5.459 3.961 1.00 0.00 O ATOM 1549 CB VAL A 101 6.487 -5.540 1.628 1.00 0.00 C ATOM 1550 CG1 VAL A 101 5.783 -4.228 1.995 1.00 0.00 C ATOM 1551 CG2 VAL A 101 5.999 -6.032 0.253 1.00 0.00 C ATOM 0 H VAL A 101 7.897 -7.484 1.644 1.00 0.00 H new ATOM 0 HA VAL A 101 8.277 -4.730 0.801 1.00 0.00 H new ATOM 0 HB VAL A 101 6.230 -6.262 2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.704 -4.381 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.100 -3.910 2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.044 -3.459 1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.913 -6.122 0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.296 -5.318 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.442 -7.004 0.036 1.00 0.00 H new ATOM 1561 N HIS A 102 9.253 -3.670 2.827 1.00 0.00 N ATOM 1562 CA HIS A 102 9.667 -2.889 3.972 1.00 0.00 C ATOM 1563 C HIS A 102 8.457 -2.181 4.610 1.00 0.00 C ATOM 1564 O HIS A 102 8.235 -0.982 4.398 1.00 0.00 O ATOM 1565 CB HIS A 102 10.761 -1.932 3.484 1.00 0.00 C ATOM 1566 CG HIS A 102 11.882 -1.756 4.456 1.00 0.00 C ATOM 1567 ND1 HIS A 102 11.822 -1.599 5.822 1.00 0.00 N ATOM 1568 CD2 HIS A 102 13.188 -1.813 4.092 1.00 0.00 C ATOM 1569 CE1 HIS A 102 13.089 -1.500 6.261 1.00 0.00 C ATOM 1570 NE2 HIS A 102 13.961 -1.620 5.242 1.00 0.00 N ATOM 0 H HIS A 102 9.505 -3.239 1.938 1.00 0.00 H new ATOM 0 HA HIS A 102 10.077 -3.511 4.768 1.00 0.00 H new ATOM 0 HB2 HIS A 102 11.164 -2.305 2.542 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.315 -0.959 3.277 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.564 -1.978 3.093 1.00 0.00 H new ATOM 0 HE1 HIS A 102 13.370 -1.345 7.292 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.979 -1.579 5.297 1.00 0.00 H new ATOM 1578 N TYR A 103 7.648 -2.926 5.369 1.00 0.00 N ATOM 1579 CA TYR A 103 6.476 -2.430 6.088 1.00 0.00 C ATOM 1580 C TYR A 103 6.831 -1.236 6.972 1.00 0.00 C ATOM 1581 O TYR A 103 6.088 -0.264 7.035 1.00 0.00 O ATOM 1582 CB TYR A 103 5.875 -3.554 6.943 1.00 0.00 C ATOM 1583 CG TYR A 103 5.166 -4.632 6.146 1.00 0.00 C ATOM 1584 CD1 TYR A 103 5.888 -5.720 5.623 1.00 0.00 C ATOM 1585 CD2 TYR A 103 3.782 -4.544 5.908 1.00 0.00 C ATOM 1586 CE1 TYR A 103 5.244 -6.683 4.827 1.00 0.00 C ATOM 1587 CE2 TYR A 103 3.131 -5.506 5.127 1.00 0.00 C ATOM 1588 CZ TYR A 103 3.860 -6.580 4.573 1.00 0.00 C ATOM 1589 OH TYR A 103 3.220 -7.520 3.829 1.00 0.00 O ATOM 0 H TYR A 103 7.798 -3.926 5.503 1.00 0.00 H new ATOM 0 HA TYR A 103 5.742 -2.099 5.353 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.671 -4.015 7.528 1.00 0.00 H new ATOM 0 HB3 TYR A 103 5.170 -3.119 7.651 1.00 0.00 H new ATOM 0 HD1 TYR A 103 6.943 -5.816 5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 103 3.217 -3.727 6.332 1.00 0.00 H new ATOM 0 HE1 TYR A 103 5.809 -7.503 4.409 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.069 -5.426 4.948 1.00 0.00 H new ATOM 0 HH TYR A 103 3.667 -8.385 3.940 1.00 0.00 H new ATOM 1599 N GLU A 104 7.978 -1.291 7.642 1.00 0.00 N ATOM 1600 CA GLU A 104 8.469 -0.275 8.559 1.00 0.00 C ATOM 1601 C GLU A 104 8.594 1.077 7.861 1.00 0.00 C ATOM 1602 O GLU A 104 7.893 2.022 8.208 1.00 0.00 O ATOM 1603 CB GLU A 104 9.795 -0.799 9.108 1.00 0.00 C ATOM 1604 CG GLU A 104 10.502 0.100 10.116 1.00 0.00 C ATOM 1605 CD GLU A 104 11.441 -0.789 10.929 1.00 0.00 C ATOM 1606 OE1 GLU A 104 11.000 -1.329 11.961 1.00 0.00 O ATOM 1607 OE2 GLU A 104 12.572 -1.097 10.472 1.00 0.00 O ATOM 0 H GLU A 104 8.617 -2.081 7.555 1.00 0.00 H new ATOM 0 HA GLU A 104 7.777 -0.099 9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.615 -1.766 9.577 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.470 -0.972 8.270 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.060 0.886 9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.779 0.593 10.766 1.00 0.00 H new ATOM 1614 N LEU A 105 9.424 1.163 6.824 1.00 0.00 N ATOM 1615 CA LEU A 105 9.659 2.399 6.083 1.00 0.00 C ATOM 1616 C LEU A 105 8.337 3.002 5.592 1.00 0.00 C ATOM 1617 O LEU A 105 8.133 4.216 5.608 1.00 0.00 O ATOM 1618 CB LEU A 105 10.599 2.077 4.910 1.00 0.00 C ATOM 1619 CG LEU A 105 11.648 3.169 4.647 1.00 0.00 C ATOM 1620 CD1 LEU A 105 12.706 2.573 3.717 1.00 0.00 C ATOM 1621 CD2 LEU A 105 11.039 4.433 4.034 1.00 0.00 C ATOM 0 H LEU A 105 9.957 0.368 6.471 1.00 0.00 H new ATOM 0 HA LEU A 105 10.122 3.144 6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 105 11.109 1.135 5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 105 10.005 1.931 4.008 1.00 0.00 H new ATOM 0 HG LEU A 105 12.088 3.480 5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.470 3.322 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 105 13.167 1.709 4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.237 2.263 2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 105 11.823 5.172 3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.568 4.185 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 105 10.292 4.843 4.713 1.00 0.00 H new ATOM 1633 N LEU A 106 7.412 2.143 5.159 1.00 0.00 N ATOM 1634 CA LEU A 106 6.145 2.580 4.600 1.00 0.00 C ATOM 1635 C LEU A 106 5.116 2.970 5.669 1.00 0.00 C ATOM 1636 O LEU A 106 4.314 3.864 5.381 1.00 0.00 O ATOM 1637 CB LEU A 106 5.695 1.611 3.507 1.00 0.00 C ATOM 1638 CG LEU A 106 4.680 0.538 3.918 1.00 0.00 C ATOM 1639 CD1 LEU A 106 3.277 1.077 3.666 1.00 0.00 C ATOM 1640 CD2 LEU A 106 4.906 -0.757 3.137 1.00 0.00 C ATOM 0 H LEU A 106 7.526 1.130 5.189 1.00 0.00 H new ATOM 0 HA LEU A 106 6.275 3.533 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.265 2.193 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.578 1.111 3.110 1.00 0.00 H new ATOM 0 HG LEU A 106 4.804 0.306 4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.542 0.326 3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.123 1.980 4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.162 1.311 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.173 -1.502 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.796 -0.562 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.910 -1.131 3.336 1.00 0.00 H new ATOM 1652 N LYS A 107 5.158 2.407 6.887 1.00 0.00 N ATOM 1653 CA LYS A 107 4.341 2.870 8.010 1.00 0.00 C ATOM 1654 C LYS A 107 4.728 4.310 8.325 1.00 0.00 C ATOM 1655 O LYS A 107 3.844 5.141 8.488 1.00 0.00 O ATOM 1656 CB LYS A 107 4.446 1.916 9.221 1.00 0.00 C ATOM 1657 CG LYS A 107 5.454 2.259 10.323 1.00 0.00 C ATOM 1658 CD LYS A 107 5.715 1.105 11.293 1.00 0.00 C ATOM 1659 CE LYS A 107 4.657 1.043 12.398 1.00 0.00 C ATOM 1660 NZ LYS A 107 5.130 0.278 13.571 1.00 0.00 N ATOM 0 H LYS A 107 5.761 1.617 7.117 1.00 0.00 H new ATOM 0 HA LYS A 107 3.285 2.857 7.742 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.460 1.850 9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.689 0.923 8.843 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.396 2.556 9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.088 3.119 10.884 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.723 0.163 10.744 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.702 1.222 11.740 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.394 2.055 12.706 1.00 0.00 H new ATOM 0 HE3 LYS A 107 3.750 0.583 12.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.385 0.259 14.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.357 -0.695 13.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.981 0.731 13.961 1.00 0.00 H new ATOM 1674 N GLN A 108 6.029 4.617 8.323 1.00 0.00 N ATOM 1675 CA GLN A 108 6.539 5.924 8.719 1.00 0.00 C ATOM 1676 C GLN A 108 5.871 7.009 7.882 1.00 0.00 C ATOM 1677 O GLN A 108 5.307 7.950 8.428 1.00 0.00 O ATOM 1678 CB GLN A 108 8.071 5.981 8.593 1.00 0.00 C ATOM 1679 CG GLN A 108 8.793 4.833 9.326 1.00 0.00 C ATOM 1680 CD GLN A 108 9.778 5.325 10.370 1.00 0.00 C ATOM 1681 OE1 GLN A 108 9.559 5.142 11.564 1.00 0.00 O ATOM 1682 NE2 GLN A 108 10.858 5.954 9.936 1.00 0.00 N ATOM 0 H GLN A 108 6.757 3.960 8.045 1.00 0.00 H new ATOM 0 HA GLN A 108 6.297 6.096 9.768 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.342 5.954 7.538 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.425 6.933 8.989 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.053 4.193 9.806 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.321 4.219 8.597 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.004 6.086 8.935 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.545 6.307 10.602 1.00 0.00 H new ATOM 1691 N MET A 109 5.908 6.869 6.556 1.00 0.00 N ATOM 1692 CA MET A 109 5.356 7.878 5.664 1.00 0.00 C ATOM 1693 C MET A 109 3.831 7.964 5.709 1.00 0.00 C ATOM 1694 O MET A 109 3.321 9.071 5.576 1.00 0.00 O ATOM 1695 CB MET A 109 5.869 7.677 4.236 1.00 0.00 C ATOM 1696 CG MET A 109 5.456 6.329 3.648 1.00 0.00 C ATOM 1697 SD MET A 109 6.184 5.901 2.051 1.00 0.00 S ATOM 1698 CE MET A 109 7.899 5.570 2.555 1.00 0.00 C ATOM 0 H MET A 109 6.316 6.064 6.080 1.00 0.00 H new ATOM 0 HA MET A 109 5.712 8.842 6.029 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.489 8.478 3.601 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.956 7.754 4.230 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.716 5.549 4.363 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.371 6.318 3.544 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.583 5.991 1.817 1.00 0.00 H new ATOM 0 HE2 MET A 109 8.087 6.027 3.526 1.00 0.00 H new ATOM 0 HE3 MET A 109 8.057 4.494 2.624 1.00 0.00 H new ATOM 1708 N ILE A 110 3.089 6.857 5.857 1.00 0.00 N ATOM 1709 CA ILE A 110 1.625 6.932 5.862 1.00 0.00 C ATOM 1710 C ILE A 110 1.164 7.536 7.193 1.00 0.00 C ATOM 1711 O ILE A 110 0.378 8.478 7.179 1.00 0.00 O ATOM 1712 CB ILE A 110 0.999 5.572 5.463 1.00 0.00 C ATOM 1713 CG1 ILE A 110 -0.471 5.647 5.002 1.00 0.00 C ATOM 1714 CG2 ILE A 110 1.192 4.445 6.482 1.00 0.00 C ATOM 1715 CD1 ILE A 110 -1.532 5.842 6.083 1.00 0.00 C ATOM 0 H ILE A 110 3.471 5.918 5.972 1.00 0.00 H new ATOM 0 HA ILE A 110 1.253 7.609 5.093 1.00 0.00 H new ATOM 0 HB ILE A 110 1.592 5.305 4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.560 6.467 4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.703 4.729 4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.719 3.535 6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.257 4.266 6.629 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.737 4.730 7.431 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.519 5.877 5.622 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.490 5.012 6.788 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.345 6.777 6.612 1.00 0.00 H new ATOM 1727 N GLU A 111 1.701 7.069 8.328 1.00 0.00 N ATOM 1728 CA GLU A 111 1.391 7.639 9.636 1.00 0.00 C ATOM 1729 C GLU A 111 1.804 9.110 9.672 1.00 0.00 C ATOM 1730 O GLU A 111 1.054 9.930 10.197 1.00 0.00 O ATOM 1731 CB GLU A 111 2.077 6.872 10.776 1.00 0.00 C ATOM 1732 CG GLU A 111 1.545 5.444 10.897 1.00 0.00 C ATOM 1733 CD GLU A 111 1.904 4.808 12.239 1.00 0.00 C ATOM 1734 OE1 GLU A 111 1.112 4.914 13.203 1.00 0.00 O ATOM 1735 OE2 GLU A 111 2.965 4.140 12.333 1.00 0.00 O ATOM 0 H GLU A 111 2.358 6.290 8.361 1.00 0.00 H new ATOM 0 HA GLU A 111 0.315 7.555 9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.153 6.846 10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 111 1.919 7.400 11.716 1.00 0.00 H new ATOM 0 HG2 GLU A 111 0.462 5.450 10.778 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.951 4.837 10.088 1.00 0.00 H new ATOM 1742 N PHE A 112 2.957 9.463 9.086 1.00 0.00 N ATOM 1743 CA PHE A 112 3.360 10.857 8.990 1.00 0.00 C ATOM 1744 C PHE A 112 2.345 11.659 8.185 1.00 0.00 C ATOM 1745 O PHE A 112 1.907 12.707 8.649 1.00 0.00 O ATOM 1746 CB PHE A 112 4.767 11.047 8.429 1.00 0.00 C ATOM 1747 CG PHE A 112 5.131 12.518 8.285 1.00 0.00 C ATOM 1748 CD1 PHE A 112 4.983 13.388 9.385 1.00 0.00 C ATOM 1749 CD2 PHE A 112 5.517 13.047 7.038 1.00 0.00 C ATOM 1750 CE1 PHE A 112 5.189 14.768 9.232 1.00 0.00 C ATOM 1751 CE2 PHE A 112 5.772 14.424 6.901 1.00 0.00 C ATOM 1752 CZ PHE A 112 5.593 15.289 7.993 1.00 0.00 C ATOM 0 H PHE A 112 3.617 8.802 8.677 1.00 0.00 H new ATOM 0 HA PHE A 112 3.387 11.236 10.012 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.488 10.558 9.085 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.838 10.559 7.457 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.709 12.990 10.351 1.00 0.00 H new ATOM 0 HD2 PHE A 112 5.618 12.393 6.184 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.036 15.431 10.071 1.00 0.00 H new ATOM 0 HE2 PHE A 112 6.107 14.817 5.952 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.765 16.349 7.880 1.00 0.00 H new ATOM 1762 N ASN A 113 1.964 11.184 6.994 1.00 0.00 N ATOM 1763 CA ASN A 113 1.043 11.930 6.151 1.00 0.00 C ATOM 1764 C ASN A 113 -0.278 12.149 6.883 1.00 0.00 C ATOM 1765 O ASN A 113 -0.824 13.239 6.797 1.00 0.00 O ATOM 1766 CB ASN A 113 0.820 11.246 4.798 1.00 0.00 C ATOM 1767 CG ASN A 113 0.619 12.223 3.645 1.00 0.00 C ATOM 1768 OD1 ASN A 113 0.983 11.911 2.517 1.00 0.00 O ATOM 1769 ND2 ASN A 113 0.057 13.394 3.871 1.00 0.00 N ATOM 0 H ASN A 113 2.278 10.297 6.602 1.00 0.00 H new ATOM 0 HA ASN A 113 1.493 12.901 5.941 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.676 10.608 4.577 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.052 10.596 4.868 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.079 14.051 3.103 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.242 13.643 4.814 1.00 0.00 H new ATOM 1776 N ILE A 114 -0.757 11.160 7.647 1.00 0.00 N ATOM 1777 CA ILE A 114 -1.945 11.278 8.490 1.00 0.00 C ATOM 1778 C ILE A 114 -1.759 12.378 9.533 1.00 0.00 C ATOM 1779 O ILE A 114 -2.655 13.215 9.670 1.00 0.00 O ATOM 1780 CB ILE A 114 -2.260 9.922 9.161 1.00 0.00 C ATOM 1781 CG1 ILE A 114 -2.857 8.947 8.115 1.00 0.00 C ATOM 1782 CG2 ILE A 114 -3.224 10.011 10.366 1.00 0.00 C ATOM 1783 CD1 ILE A 114 -3.104 7.515 8.621 1.00 0.00 C ATOM 0 H ILE A 114 -0.319 10.240 7.695 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.793 11.554 7.863 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.308 9.561 9.551 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.802 9.357 7.757 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.184 8.902 7.258 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -3.389 9.014 10.775 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -2.789 10.650 11.134 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.175 10.431 10.040 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.522 6.912 7.815 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.161 7.078 8.950 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.804 7.540 9.456 1.00 0.00 H new ATOM 1795 N GLN A 115 -0.664 12.360 10.312 1.00 0.00 N ATOM 1796 CA GLN A 115 -0.505 13.339 11.392 1.00 0.00 C ATOM 1797 C GLN A 115 -0.251 14.743 10.849 1.00 0.00 C ATOM 1798 O GLN A 115 -0.491 15.734 11.544 1.00 0.00 O ATOM 1799 CB GLN A 115 0.583 12.928 12.406 1.00 0.00 C ATOM 1800 CG GLN A 115 1.977 12.849 11.795 1.00 0.00 C ATOM 1801 CD GLN A 115 3.090 12.620 12.810 1.00 0.00 C ATOM 1802 OE1 GLN A 115 3.939 13.485 13.009 1.00 0.00 O ATOM 1803 NE2 GLN A 115 3.149 11.461 13.444 1.00 0.00 N ATOM 0 H GLN A 115 0.104 11.695 10.216 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.452 13.357 11.932 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.594 13.645 13.227 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.325 11.959 12.832 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.996 12.041 11.063 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.178 13.774 11.254 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.439 10.749 13.272 1.00 0.00 H new ATOM 0 HE22 GLN A 115 3.904 11.279 14.105 1.00 0.00 H new ATOM 1812 N ASP A 116 0.241 14.814 9.617 1.00 0.00 N ATOM 1813 CA ASP A 116 0.584 16.076 8.960 1.00 0.00 C ATOM 1814 C ASP A 116 -0.647 16.728 8.333 1.00 0.00 C ATOM 1815 O ASP A 116 -0.654 17.935 8.097 1.00 0.00 O ATOM 1816 CB ASP A 116 1.671 15.868 7.899 1.00 0.00 C ATOM 1817 CG ASP A 116 2.157 17.210 7.345 1.00 0.00 C ATOM 1818 OD1 ASP A 116 2.626 18.059 8.136 1.00 0.00 O ATOM 1819 OD2 ASP A 116 2.104 17.435 6.112 1.00 0.00 O ATOM 0 H ASP A 116 0.415 13.992 9.039 1.00 0.00 H new ATOM 0 HA ASP A 116 0.973 16.746 9.727 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.510 15.324 8.334 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.280 15.255 7.087 1.00 0.00 H new ATOM 1824 N LYS A 117 -1.700 15.947 8.081 1.00 0.00 N ATOM 1825 CA LYS A 117 -2.963 16.378 7.476 1.00 0.00 C ATOM 1826 C LYS A 117 -4.020 16.666 8.545 1.00 0.00 C ATOM 1827 O LYS A 117 -5.224 16.648 8.255 1.00 0.00 O ATOM 1828 CB LYS A 117 -3.411 15.317 6.455 1.00 0.00 C ATOM 1829 CG LYS A 117 -2.440 15.200 5.264 1.00 0.00 C ATOM 1830 CD LYS A 117 -2.612 16.231 4.150 1.00 0.00 C ATOM 1831 CE LYS A 117 -3.899 15.973 3.375 1.00 0.00 C ATOM 1832 NZ LYS A 117 -4.009 16.844 2.195 1.00 0.00 N ATOM 0 H LYS A 117 -1.695 14.952 8.303 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.821 17.320 6.946 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.491 14.350 6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.405 15.569 6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -1.421 15.273 5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -2.548 14.206 4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -2.632 17.234 4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -1.759 16.189 3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -3.932 14.930 3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -4.756 16.136 4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -4.897 16.639 1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -4.003 17.839 2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -3.205 16.670 1.559 1.00 0.00 H new ATOM 1846 N GLU A 118 -3.599 16.899 9.788 1.00 0.00 N ATOM 1847 CA GLU A 118 -4.448 17.457 10.832 1.00 0.00 C ATOM 1848 C GLU A 118 -5.020 18.794 10.372 1.00 0.00 C ATOM 1849 O GLU A 118 -6.149 19.129 10.778 1.00 0.00 O ATOM 1850 CB GLU A 118 -3.688 17.566 12.173 1.00 0.00 C ATOM 1851 CG GLU A 118 -4.431 16.747 13.237 1.00 0.00 C ATOM 1852 CD GLU A 118 -3.793 16.700 14.637 1.00 0.00 C ATOM 1853 OE1 GLU A 118 -2.624 17.109 14.856 1.00 0.00 O ATOM 1854 OE2 GLU A 118 -4.414 16.104 15.543 1.00 0.00 O ATOM 0 H GLU A 118 -2.648 16.702 10.098 1.00 0.00 H new ATOM 0 HA GLU A 118 -5.285 16.782 11.012 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -2.668 17.198 12.059 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.618 18.609 12.482 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -5.439 17.150 13.335 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -4.530 15.724 12.873 1.00 0.00 H new TER 1861 GLU A 118