USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 935 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 28 THR OG1 : rot -3:sc= 1.31 USER MOD Set 1.2: A 47 THR OG1 : rot -73:sc= 0.234 USER MOD Set 2.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 37 TYR OH : rot -152:sc= 0.518 USER MOD Single : A 1 ASN : amide:sc= -8.81! C(o=-8.8!,f=-7.9!) USER MOD Single : A 1 ASN N :NH3+ 144:sc= 0.0455 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -163:sc= -0.0784 (180deg=-0.494) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00117 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00559 USER MOD Single : A 24 LYS NZ :NH3+ 169:sc= -0.0112 (180deg=-0.151) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0531 USER MOD Single : A 27 THR OG1 : rot -128:sc= -0.152 USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= -0.0363 (180deg=-0.299) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 42 SER OG : rot -25:sc= 0.224 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -6.35! K(o=-6.4!,f=-0.83) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -7.27! C(o=-7.3!,f=-13!) USER MOD Single : A 50 SER OG : rot -59:sc= 0.41 USER MOD Single : A 56 TYR OH : rot 165:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.03 K(o=-1,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0414 USER MOD Single : A 63 LYS NZ :NH3+ -136:sc= -0.19 (180deg=-1.48) USER MOD Single : A 67 HIS : no HD1:sc= -2.31! C(o=-2.3!,f=-4.2!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= -0.282 (180deg=-1.12!) USER MOD Single : A 80 THR OG1 : rot -140:sc= 0 USER MOD Single : A 83 SER OG : rot -77:sc= 0.92 USER MOD Single : A 86 SER OG : rot -19:sc= 0.66 USER MOD Single : A 87 GLN : amide:sc= -4.41! K(o=-4.4!,f=-2) USER MOD Single : A 91 SER OG : rot 99:sc= -3.46! USER MOD Single : A 93 SER OG : rot 81:sc= 1.75 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -97:sc= 1.69 USER MOD Single : A 109 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.43) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -1.98 X(o=-2,f=-2.3!) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 32.139 -1.730 -2.518 1.00 0.00 N ATOM 21 CA ASN A 1 30.898 -1.053 -2.152 1.00 0.00 C ATOM 22 C ASN A 1 29.721 -1.593 -2.957 1.00 0.00 C ATOM 23 O ASN A 1 29.902 -2.357 -3.905 1.00 0.00 O ATOM 24 CB ASN A 1 31.036 0.457 -2.349 1.00 0.00 C ATOM 25 CG ASN A 1 31.163 1.192 -1.029 1.00 0.00 C ATOM 26 OD1 ASN A 1 31.997 2.085 -0.878 1.00 0.00 O ATOM 27 ND2 ASN A 1 30.326 0.823 -0.067 1.00 0.00 N ATOM 0 H1 ASN A 1 32.927 -1.052 -2.487 1.00 0.00 H new ATOM 0 H2 ASN A 1 32.322 -2.505 -1.849 1.00 0.00 H new ATOM 0 H3 ASN A 1 32.053 -2.116 -3.480 1.00 0.00 H new ATOM 0 HA ASN A 1 30.703 -1.250 -1.098 1.00 0.00 H new ATOM 0 HB2 ASN A 1 31.911 0.664 -2.965 1.00 0.00 H new ATOM 0 HB3 ASN A 1 30.168 0.833 -2.891 1.00 0.00 H new ATOM 0 HD21 ASN A 1 30.358 1.285 0.842 1.00 0.00 H new ATOM 0 HD22 ASN A 1 29.651 0.078 -0.237 1.00 0.00 H new ATOM 34 N CYS A 2 28.513 -1.192 -2.574 1.00 0.00 N ATOM 35 CA CYS A 2 27.309 -1.653 -3.255 1.00 0.00 C ATOM 36 C CYS A 2 26.942 -0.762 -4.435 1.00 0.00 C ATOM 37 O CYS A 2 26.146 -1.155 -5.287 1.00 0.00 O ATOM 38 CB CYS A 2 26.138 -1.725 -2.276 1.00 0.00 C ATOM 39 SG CYS A 2 25.908 -3.365 -1.521 1.00 0.00 S ATOM 0 H CYS A 2 28.342 -0.551 -1.799 1.00 0.00 H new ATOM 0 HA CYS A 2 27.521 -2.649 -3.644 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.292 -0.990 -1.486 1.00 0.00 H new ATOM 0 HB3 CYS A 2 25.223 -1.444 -2.798 1.00 0.00 H new ATOM 44 N GLY A 3 27.519 0.432 -4.491 1.00 0.00 N ATOM 45 CA GLY A 3 27.221 1.356 -5.569 1.00 0.00 C ATOM 46 C GLY A 3 26.123 2.331 -5.185 1.00 0.00 C ATOM 47 O GLY A 3 25.294 2.018 -4.332 1.00 0.00 O ATOM 0 H GLY A 3 28.191 0.778 -3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 3 28.122 1.909 -5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 3 26.918 0.797 -6.454 1.00 0.00 H new ATOM 51 N PRO A 4 26.092 3.530 -5.796 1.00 0.00 N ATOM 52 CA PRO A 4 25.073 4.542 -5.497 1.00 0.00 C ATOM 53 C PRO A 4 23.664 3.954 -5.461 1.00 0.00 C ATOM 54 O PRO A 4 23.223 3.328 -6.426 1.00 0.00 O ATOM 55 CB PRO A 4 25.218 5.530 -6.653 1.00 0.00 C ATOM 56 CG PRO A 4 26.652 5.431 -7.044 1.00 0.00 C ATOM 57 CD PRO A 4 27.045 3.993 -6.823 1.00 0.00 C ATOM 0 HA PRO A 4 25.213 4.991 -4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.561 5.271 -7.483 1.00 0.00 H new ATOM 0 HB3 PRO A 4 24.959 6.543 -6.345 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.793 5.718 -8.086 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.267 6.100 -6.443 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.963 3.409 -7.740 1.00 0.00 H new ATOM 0 HD3 PRO A 4 28.077 3.907 -6.482 1.00 0.00 H new ATOM 65 N PRO A 5 22.942 4.147 -4.339 1.00 0.00 N ATOM 66 CA PRO A 5 21.582 3.631 -4.169 1.00 0.00 C ATOM 67 C PRO A 5 20.707 3.814 -5.406 1.00 0.00 C ATOM 68 O PRO A 5 20.331 4.934 -5.750 1.00 0.00 O ATOM 69 CB PRO A 5 21.043 4.466 -3.013 1.00 0.00 C ATOM 70 CG PRO A 5 22.241 4.760 -2.182 1.00 0.00 C ATOM 71 CD PRO A 5 23.397 4.884 -3.141 1.00 0.00 C ATOM 0 HA PRO A 5 21.580 2.556 -3.992 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.572 5.382 -3.370 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.289 3.920 -2.445 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.105 5.681 -1.615 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.418 3.964 -1.459 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.615 5.927 -3.372 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.308 4.452 -2.727 1.00 0.00 H new ATOM 79 N PRO A 6 20.380 2.706 -6.094 1.00 0.00 N ATOM 80 CA PRO A 6 19.524 2.738 -7.283 1.00 0.00 C ATOM 81 C PRO A 6 18.141 3.265 -6.947 1.00 0.00 C ATOM 82 O PRO A 6 17.873 3.727 -5.837 1.00 0.00 O ATOM 83 CB PRO A 6 19.428 1.267 -7.706 1.00 0.00 C ATOM 84 CG PRO A 6 19.838 0.483 -6.507 1.00 0.00 C ATOM 85 CD PRO A 6 20.818 1.342 -5.767 1.00 0.00 C ATOM 0 HA PRO A 6 19.924 3.389 -8.060 1.00 0.00 H new ATOM 0 HB2 PRO A 6 18.414 1.012 -8.014 1.00 0.00 H new ATOM 0 HB3 PRO A 6 20.081 1.059 -8.554 1.00 0.00 H new ATOM 0 HG2 PRO A 6 18.977 0.247 -5.882 1.00 0.00 H new ATOM 0 HG3 PRO A 6 20.291 -0.465 -6.797 1.00 0.00 H new ATOM 0 HD2 PRO A 6 20.787 1.155 -4.694 1.00 0.00 H new ATOM 0 HD3 PRO A 6 21.842 1.158 -6.093 1.00 0.00 H new ATOM 93 N THR A 7 17.269 3.176 -7.945 1.00 0.00 N ATOM 94 CA THR A 7 15.899 3.624 -7.816 1.00 0.00 C ATOM 95 C THR A 7 14.988 2.444 -7.511 1.00 0.00 C ATOM 96 O THR A 7 15.040 1.414 -8.184 1.00 0.00 O ATOM 97 CB THR A 7 15.418 4.333 -9.097 1.00 0.00 C ATOM 98 OG1 THR A 7 14.112 4.886 -8.894 1.00 0.00 O ATOM 99 CG2 THR A 7 15.389 3.375 -10.279 1.00 0.00 C ATOM 0 H THR A 7 17.497 2.791 -8.862 1.00 0.00 H new ATOM 0 HA THR A 7 15.858 4.338 -6.993 1.00 0.00 H new ATOM 0 HB THR A 7 16.122 5.134 -9.320 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.816 5.336 -9.713 1.00 0.00 H new ATOM 0 HG21 THR A 7 15.046 3.904 -11.168 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.391 2.983 -10.454 1.00 0.00 H new ATOM 0 HG23 THR A 7 14.710 2.551 -10.063 1.00 0.00 H new ATOM 107 N LEU A 8 14.162 2.591 -6.489 1.00 0.00 N ATOM 108 CA LEU A 8 13.235 1.544 -6.105 1.00 0.00 C ATOM 109 C LEU A 8 11.807 1.980 -6.382 1.00 0.00 C ATOM 110 O LEU A 8 11.299 2.892 -5.742 1.00 0.00 O ATOM 111 CB LEU A 8 13.398 1.212 -4.621 1.00 0.00 C ATOM 112 CG LEU A 8 14.835 0.946 -4.166 1.00 0.00 C ATOM 113 CD1 LEU A 8 15.635 2.240 -4.108 1.00 0.00 C ATOM 114 CD2 LEU A 8 14.842 0.253 -2.813 1.00 0.00 C ATOM 0 H LEU A 8 14.116 3.429 -5.909 1.00 0.00 H new ATOM 0 HA LEU A 8 13.454 0.653 -6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.995 2.038 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.793 0.334 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 8 15.308 0.289 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.653 2.024 -3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.660 2.697 -5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.166 2.926 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.871 0.071 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.348 0.887 -2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.312 -0.696 -2.888 1.00 0.00 H new ATOM 126 N SER A 9 11.162 1.341 -7.345 1.00 0.00 N ATOM 127 CA SER A 9 9.790 1.690 -7.674 1.00 0.00 C ATOM 128 C SER A 9 8.883 1.452 -6.473 1.00 0.00 C ATOM 129 O SER A 9 7.759 1.950 -6.424 1.00 0.00 O ATOM 130 CB SER A 9 9.301 0.875 -8.874 1.00 0.00 C ATOM 131 OG SER A 9 9.230 -0.505 -8.559 1.00 0.00 O ATOM 0 H SER A 9 11.560 0.588 -7.906 1.00 0.00 H new ATOM 0 HA SER A 9 9.757 2.747 -7.937 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.319 1.231 -9.184 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.975 1.024 -9.718 1.00 0.00 H new ATOM 0 HG SER A 9 8.913 -1.003 -9.341 1.00 0.00 H new ATOM 137 N PHE A 10 9.388 0.698 -5.498 1.00 0.00 N ATOM 138 CA PHE A 10 8.625 0.389 -4.294 1.00 0.00 C ATOM 139 C PHE A 10 8.821 1.459 -3.227 1.00 0.00 C ATOM 140 O PHE A 10 8.125 1.467 -2.211 1.00 0.00 O ATOM 141 CB PHE A 10 9.039 -0.971 -3.724 1.00 0.00 C ATOM 142 CG PHE A 10 9.385 -1.999 -4.764 1.00 0.00 C ATOM 143 CD1 PHE A 10 8.389 -2.678 -5.448 1.00 0.00 C ATOM 144 CD2 PHE A 10 10.708 -2.295 -5.048 1.00 0.00 C ATOM 145 CE1 PHE A 10 8.707 -3.631 -6.397 1.00 0.00 C ATOM 146 CE2 PHE A 10 11.032 -3.248 -5.994 1.00 0.00 C ATOM 147 CZ PHE A 10 10.031 -3.915 -6.669 1.00 0.00 C ATOM 0 H PHE A 10 10.323 0.291 -5.520 1.00 0.00 H new ATOM 0 HA PHE A 10 7.572 0.359 -4.576 1.00 0.00 H new ATOM 0 HB2 PHE A 10 9.899 -0.831 -3.069 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.227 -1.355 -3.106 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.353 -2.460 -5.237 1.00 0.00 H new ATOM 0 HD2 PHE A 10 11.496 -1.774 -4.524 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.922 -4.152 -6.925 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.068 -3.471 -6.205 1.00 0.00 H new ATOM 0 HZ PHE A 10 10.282 -4.659 -7.410 1.00 0.00 H new ATOM 157 N ALA A 11 9.768 2.360 -3.458 1.00 0.00 N ATOM 158 CA ALA A 11 10.059 3.412 -2.494 1.00 0.00 C ATOM 159 C ALA A 11 10.636 4.665 -3.143 1.00 0.00 C ATOM 160 O ALA A 11 11.105 4.663 -4.277 1.00 0.00 O ATOM 161 CB ALA A 11 11.047 2.886 -1.468 1.00 0.00 C ATOM 0 H ALA A 11 10.344 2.383 -4.299 1.00 0.00 H new ATOM 0 HA ALA A 11 9.116 3.693 -2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.270 3.669 -0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.615 2.027 -0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.966 2.584 -1.970 1.00 0.00 H new ATOM 167 N ALA A 12 10.581 5.738 -2.368 1.00 0.00 N ATOM 168 CA ALA A 12 11.159 7.004 -2.785 1.00 0.00 C ATOM 169 C ALA A 12 12.168 7.481 -1.741 1.00 0.00 C ATOM 170 O ALA A 12 11.909 7.392 -0.541 1.00 0.00 O ATOM 171 CB ALA A 12 10.073 8.048 -2.995 1.00 0.00 C ATOM 0 H ALA A 12 10.142 5.756 -1.448 1.00 0.00 H new ATOM 0 HA ALA A 12 11.674 6.859 -3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.528 8.988 -3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.383 7.705 -3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.529 8.200 -2.063 1.00 0.00 H new ATOM 177 N PRO A 13 13.333 7.992 -2.179 1.00 0.00 N ATOM 178 CA PRO A 13 14.380 8.467 -1.264 1.00 0.00 C ATOM 179 C PRO A 13 13.846 9.427 -0.206 1.00 0.00 C ATOM 180 O PRO A 13 12.969 10.246 -0.483 1.00 0.00 O ATOM 181 CB PRO A 13 15.360 9.183 -2.194 1.00 0.00 C ATOM 182 CG PRO A 13 15.176 8.519 -3.515 1.00 0.00 C ATOM 183 CD PRO A 13 13.717 8.158 -3.592 1.00 0.00 C ATOM 0 HA PRO A 13 14.825 7.650 -0.697 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.144 10.250 -2.253 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.386 9.085 -1.840 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.458 9.185 -4.330 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.803 7.632 -3.597 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.134 8.941 -4.078 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.559 7.242 -4.162 1.00 0.00 H new ATOM 191 N MET A 14 14.384 9.323 1.010 1.00 0.00 N ATOM 192 CA MET A 14 13.952 10.184 2.108 1.00 0.00 C ATOM 193 C MET A 14 15.084 10.466 3.090 1.00 0.00 C ATOM 194 O MET A 14 14.942 11.280 4.002 1.00 0.00 O ATOM 195 CB MET A 14 12.788 9.539 2.855 1.00 0.00 C ATOM 196 CG MET A 14 11.513 9.452 2.037 1.00 0.00 C ATOM 197 SD MET A 14 10.870 11.070 1.570 1.00 0.00 S ATOM 198 CE MET A 14 10.432 11.737 3.174 1.00 0.00 C ATOM 0 H MET A 14 15.115 8.655 1.257 1.00 0.00 H new ATOM 0 HA MET A 14 13.637 11.131 1.671 1.00 0.00 H new ATOM 0 HB2 MET A 14 13.079 8.536 3.166 1.00 0.00 H new ATOM 0 HB3 MET A 14 12.589 10.109 3.762 1.00 0.00 H new ATOM 0 HG2 MET A 14 11.704 8.868 1.136 1.00 0.00 H new ATOM 0 HG3 MET A 14 10.755 8.917 2.609 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.757 12.583 3.044 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.938 10.966 3.766 1.00 0.00 H new ATOM 0 HE3 MET A 14 11.334 12.068 3.689 1.00 0.00 H new ATOM 208 N ASP A 15 16.206 9.786 2.891 1.00 0.00 N ATOM 209 CA ASP A 15 17.373 9.960 3.744 1.00 0.00 C ATOM 210 C ASP A 15 18.594 10.251 2.875 1.00 0.00 C ATOM 211 O ASP A 15 18.559 11.175 2.063 1.00 0.00 O ATOM 212 CB ASP A 15 17.598 8.713 4.604 1.00 0.00 C ATOM 213 CG ASP A 15 18.596 8.949 5.721 1.00 0.00 C ATOM 214 OD1 ASP A 15 18.243 9.648 6.694 1.00 0.00 O ATOM 215 OD2 ASP A 15 19.729 8.432 5.627 1.00 0.00 O ATOM 0 H ASP A 15 16.332 9.105 2.142 1.00 0.00 H new ATOM 0 HA ASP A 15 17.209 10.802 4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.647 8.395 5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.952 7.899 3.972 1.00 0.00 H new ATOM 220 N ILE A 16 19.660 9.462 3.040 1.00 0.00 N ATOM 221 CA ILE A 16 20.881 9.629 2.257 1.00 0.00 C ATOM 222 C ILE A 16 21.196 11.103 2.033 1.00 0.00 C ATOM 223 O ILE A 16 20.699 11.732 1.097 1.00 0.00 O ATOM 224 CB ILE A 16 20.809 8.879 0.902 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.953 9.314 -0.013 1.00 0.00 C ATOM 226 CG2 ILE A 16 19.469 9.104 0.218 1.00 0.00 C ATOM 227 CD1 ILE A 16 22.040 8.518 -1.299 1.00 0.00 C ATOM 0 H ILE A 16 19.698 8.698 3.714 1.00 0.00 H new ATOM 0 HA ILE A 16 21.691 9.187 2.838 1.00 0.00 H new ATOM 0 HB ILE A 16 20.909 7.813 1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.830 10.369 -0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.895 9.219 0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 16 19.449 8.565 -0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.667 8.739 0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 16 19.329 10.169 0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.875 8.883 -1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 16 22.194 7.465 -1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 16 21.113 8.633 -1.861 1.00 0.00 H new ATOM 239 N THR A 17 22.021 11.646 2.916 1.00 0.00 N ATOM 240 CA THR A 17 22.417 13.052 2.850 1.00 0.00 C ATOM 241 C THR A 17 23.355 13.331 1.683 1.00 0.00 C ATOM 242 O THR A 17 24.132 14.286 1.716 1.00 0.00 O ATOM 243 CB THR A 17 23.119 13.484 4.145 1.00 0.00 C ATOM 244 OG1 THR A 17 22.504 12.852 5.273 1.00 0.00 O ATOM 245 CG2 THR A 17 23.068 14.995 4.316 1.00 0.00 C ATOM 0 H THR A 17 22.434 11.132 3.694 1.00 0.00 H new ATOM 0 HA THR A 17 21.498 13.621 2.710 1.00 0.00 H new ATOM 0 HB THR A 17 24.163 13.177 4.081 1.00 0.00 H new ATOM 0 HG1 THR A 17 22.960 13.132 6.094 1.00 0.00 H new ATOM 0 HG21 THR A 17 23.572 15.274 5.241 1.00 0.00 H new ATOM 0 HG22 THR A 17 23.566 15.474 3.473 1.00 0.00 H new ATOM 0 HG23 THR A 17 22.029 15.322 4.357 1.00 0.00 H new ATOM 253 N LEU A 18 23.253 12.511 0.651 1.00 0.00 N ATOM 254 CA LEU A 18 24.069 12.636 -0.531 1.00 0.00 C ATOM 255 C LEU A 18 25.452 13.185 -0.213 1.00 0.00 C ATOM 256 O LEU A 18 25.980 14.043 -0.921 1.00 0.00 O ATOM 257 CB LEU A 18 23.346 13.516 -1.521 1.00 0.00 C ATOM 258 CG LEU A 18 22.415 12.770 -2.475 1.00 0.00 C ATOM 259 CD1 LEU A 18 23.166 11.639 -3.157 1.00 0.00 C ATOM 260 CD2 LEU A 18 21.213 12.226 -1.719 1.00 0.00 C ATOM 0 H LEU A 18 22.593 11.734 0.616 1.00 0.00 H new ATOM 0 HA LEU A 18 24.226 11.647 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 18 22.764 14.256 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 18 24.084 14.062 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 18 22.060 13.465 -3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 18 22.494 11.113 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 18 24.004 12.047 -3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 18 23.539 10.944 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.557 11.697 -2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 18 21.552 11.540 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 18 20.667 13.051 -1.261 1.00 0.00 H new ATOM 272 N THR A 19 26.027 12.669 0.859 1.00 0.00 N ATOM 273 CA THR A 19 27.350 13.075 1.301 1.00 0.00 C ATOM 274 C THR A 19 28.391 12.076 0.820 1.00 0.00 C ATOM 275 O THR A 19 29.579 12.388 0.725 1.00 0.00 O ATOM 276 CB THR A 19 27.414 13.189 2.831 1.00 0.00 C ATOM 277 OG1 THR A 19 28.704 12.783 3.307 1.00 0.00 O ATOM 278 CG2 THR A 19 26.333 12.332 3.463 1.00 0.00 C ATOM 0 H THR A 19 25.591 11.958 1.447 1.00 0.00 H new ATOM 0 HA THR A 19 27.560 14.055 0.874 1.00 0.00 H new ATOM 0 HB THR A 19 27.250 14.230 3.111 1.00 0.00 H new ATOM 0 HG1 THR A 19 28.732 12.862 4.283 1.00 0.00 H new ATOM 0 HG21 THR A 19 26.387 12.420 4.548 1.00 0.00 H new ATOM 0 HG22 THR A 19 25.355 12.669 3.120 1.00 0.00 H new ATOM 0 HG23 THR A 19 26.480 11.291 3.176 1.00 0.00 H new ATOM 286 N GLU A 20 27.923 10.871 0.516 1.00 0.00 N ATOM 287 CA GLU A 20 28.788 9.805 0.033 1.00 0.00 C ATOM 288 C GLU A 20 28.106 9.050 -1.103 1.00 0.00 C ATOM 289 O GLU A 20 26.955 8.630 -0.979 1.00 0.00 O ATOM 290 CB GLU A 20 29.133 8.849 1.175 1.00 0.00 C ATOM 291 CG GLU A 20 30.188 7.819 0.805 1.00 0.00 C ATOM 292 CD GLU A 20 31.496 8.454 0.375 1.00 0.00 C ATOM 293 OE1 GLU A 20 32.312 8.791 1.258 1.00 0.00 O ATOM 294 OE2 GLU A 20 31.702 8.616 -0.847 1.00 0.00 O ATOM 0 H GLU A 20 26.941 10.608 0.597 1.00 0.00 H new ATOM 0 HA GLU A 20 29.711 10.244 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 20 29.485 9.428 2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.227 8.332 1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 20 30.369 7.166 1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 20 29.810 7.191 -0.002 1.00 0.00 H new ATOM 301 N THR A 21 28.818 8.883 -2.212 1.00 0.00 N ATOM 302 CA THR A 21 28.273 8.192 -3.377 1.00 0.00 C ATOM 303 C THR A 21 28.281 6.678 -3.188 1.00 0.00 C ATOM 304 O THR A 21 27.697 5.942 -3.983 1.00 0.00 O ATOM 305 CB THR A 21 29.074 8.531 -4.645 1.00 0.00 C ATOM 306 OG1 THR A 21 29.601 9.860 -4.554 1.00 0.00 O ATOM 307 CG2 THR A 21 28.199 8.415 -5.884 1.00 0.00 C ATOM 0 H THR A 21 29.775 9.217 -2.330 1.00 0.00 H new ATOM 0 HA THR A 21 27.244 8.534 -3.488 1.00 0.00 H new ATOM 0 HB THR A 21 29.895 7.819 -4.728 1.00 0.00 H new ATOM 0 HG1 THR A 21 30.111 10.066 -5.365 1.00 0.00 H new ATOM 0 HG21 THR A 21 28.787 8.659 -6.769 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.822 7.396 -5.969 1.00 0.00 H new ATOM 0 HG23 THR A 21 27.360 9.107 -5.803 1.00 0.00 H new ATOM 315 N ARG A 22 28.943 6.221 -2.133 1.00 0.00 N ATOM 316 CA ARG A 22 29.038 4.793 -1.844 1.00 0.00 C ATOM 317 C ARG A 22 28.511 4.491 -0.446 1.00 0.00 C ATOM 318 O ARG A 22 28.374 5.402 0.373 1.00 0.00 O ATOM 319 CB ARG A 22 30.483 4.340 -1.958 1.00 0.00 C ATOM 320 CG ARG A 22 31.077 4.555 -3.342 1.00 0.00 C ATOM 321 CD ARG A 22 32.553 4.196 -3.383 1.00 0.00 C ATOM 322 NE ARG A 22 33.127 4.407 -4.709 1.00 0.00 N ATOM 323 CZ ARG A 22 34.381 4.099 -5.030 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.188 3.565 -4.124 1.00 0.00 N ATOM 325 NH2 ARG A 22 34.826 4.325 -6.258 1.00 0.00 N ATOM 0 H ARG A 22 29.424 6.819 -1.461 1.00 0.00 H new ATOM 0 HA ARG A 22 28.430 4.251 -2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.084 4.879 -1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 22 30.545 3.282 -1.705 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.535 3.950 -4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.948 5.597 -3.636 1.00 0.00 H new ATOM 0 HD2 ARG A 22 33.094 4.798 -2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 22 32.681 3.153 -3.093 1.00 0.00 H new ATOM 0 HE ARG A 22 32.532 4.814 -5.431 1.00 0.00 H new ATOM 0 HH11 ARG A 22 34.848 3.389 -3.178 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.149 3.330 -4.372 1.00 0.00 H new ATOM 0 HH21 ARG A 22 34.207 4.735 -6.957 1.00 0.00 H new ATOM 0 HH22 ARG A 22 35.787 4.089 -6.504 1.00 0.00 H new ATOM 339 N PHE A 23 28.231 3.218 -0.156 1.00 0.00 N ATOM 340 CA PHE A 23 27.698 2.817 1.147 1.00 0.00 C ATOM 341 C PHE A 23 28.084 1.366 1.468 1.00 0.00 C ATOM 342 O PHE A 23 27.602 0.430 0.828 1.00 0.00 O ATOM 343 CB PHE A 23 26.169 2.967 1.164 1.00 0.00 C ATOM 344 CG PHE A 23 25.685 4.371 0.925 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.598 4.877 -0.362 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.326 5.189 1.985 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.168 6.168 -0.588 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.892 6.483 1.764 1.00 0.00 C ATOM 349 CZ PHE A 23 24.815 6.973 0.476 1.00 0.00 C ATOM 0 H PHE A 23 28.365 2.446 -0.809 1.00 0.00 H new ATOM 0 HA PHE A 23 28.129 3.468 1.908 1.00 0.00 H new ATOM 0 HB2 PHE A 23 25.742 2.313 0.403 1.00 0.00 H new ATOM 0 HB3 PHE A 23 25.792 2.624 2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 23 25.871 4.252 -1.200 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.386 4.811 2.995 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.108 6.549 -1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.614 7.110 2.598 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.479 7.984 0.301 1.00 0.00 H new ATOM 359 N LYS A 24 28.960 1.194 2.460 1.00 0.00 N ATOM 360 CA LYS A 24 29.435 -0.135 2.877 1.00 0.00 C ATOM 361 C LYS A 24 28.294 -1.109 3.171 1.00 0.00 C ATOM 362 O LYS A 24 27.124 -0.726 3.187 1.00 0.00 O ATOM 363 CB LYS A 24 30.324 -0.011 4.116 1.00 0.00 C ATOM 364 CG LYS A 24 29.835 1.013 5.128 1.00 0.00 C ATOM 365 CD LYS A 24 30.832 1.191 6.262 1.00 0.00 C ATOM 366 CE LYS A 24 30.377 2.261 7.242 1.00 0.00 C ATOM 367 NZ LYS A 24 29.086 1.907 7.891 1.00 0.00 N ATOM 0 H LYS A 24 29.360 1.964 2.996 1.00 0.00 H new ATOM 0 HA LYS A 24 30.004 -0.539 2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 24 30.390 -0.984 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.333 0.257 3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 24 29.672 1.969 4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 24 28.874 0.697 5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 24 30.959 0.245 6.788 1.00 0.00 H new ATOM 0 HD3 LYS A 24 31.805 1.461 5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 24 31.141 2.401 8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 24 30.272 3.211 6.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 28.903 2.560 8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.316 1.980 7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 29.135 0.933 8.252 1.00 0.00 H new ATOM 381 N THR A 25 28.648 -2.377 3.415 1.00 0.00 N ATOM 382 CA THR A 25 27.659 -3.412 3.698 1.00 0.00 C ATOM 383 C THR A 25 26.974 -3.187 5.044 1.00 0.00 C ATOM 384 O THR A 25 26.063 -3.927 5.415 1.00 0.00 O ATOM 385 CB THR A 25 28.280 -4.822 3.681 1.00 0.00 C ATOM 386 OG1 THR A 25 29.648 -4.765 4.102 1.00 0.00 O ATOM 387 CG2 THR A 25 28.186 -5.461 2.295 1.00 0.00 C ATOM 0 H THR A 25 29.613 -2.706 3.421 1.00 0.00 H new ATOM 0 HA THR A 25 26.916 -3.343 2.903 1.00 0.00 H new ATOM 0 HB THR A 25 27.714 -5.442 4.376 1.00 0.00 H new ATOM 0 HG1 THR A 25 30.032 -5.667 4.089 1.00 0.00 H new ATOM 0 HG21 THR A 25 28.634 -6.454 2.321 1.00 0.00 H new ATOM 0 HG22 THR A 25 27.139 -5.543 2.002 1.00 0.00 H new ATOM 0 HG23 THR A 25 28.718 -4.842 1.572 1.00 0.00 H new ATOM 395 N GLY A 26 27.413 -2.163 5.768 1.00 0.00 N ATOM 396 CA GLY A 26 26.827 -1.849 7.063 1.00 0.00 C ATOM 397 C GLY A 26 26.014 -0.575 7.000 1.00 0.00 C ATOM 398 O GLY A 26 25.821 0.112 8.005 1.00 0.00 O ATOM 0 H GLY A 26 28.168 -1.540 5.481 1.00 0.00 H new ATOM 0 HA2 GLY A 26 26.192 -2.673 7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 26 27.617 -1.743 7.807 1.00 0.00 H new ATOM 402 N THR A 27 25.542 -0.274 5.801 1.00 0.00 N ATOM 403 CA THR A 27 24.748 0.921 5.562 1.00 0.00 C ATOM 404 C THR A 27 23.267 0.577 5.496 1.00 0.00 C ATOM 405 O THR A 27 22.902 -0.583 5.305 1.00 0.00 O ATOM 406 CB THR A 27 25.157 1.614 4.251 1.00 0.00 C ATOM 407 OG1 THR A 27 24.796 3.000 4.296 1.00 0.00 O ATOM 408 CG2 THR A 27 24.479 0.953 3.063 1.00 0.00 C ATOM 0 H THR A 27 25.697 -0.846 4.971 1.00 0.00 H new ATOM 0 HA THR A 27 24.932 1.601 6.394 1.00 0.00 H new ATOM 0 HB THR A 27 26.237 1.523 4.137 1.00 0.00 H new ATOM 0 HG1 THR A 27 24.279 3.229 3.496 1.00 0.00 H new ATOM 0 HG21 THR A 27 24.781 1.457 2.145 1.00 0.00 H new ATOM 0 HG22 THR A 27 24.772 -0.096 3.014 1.00 0.00 H new ATOM 0 HG23 THR A 27 23.397 1.023 3.176 1.00 0.00 H new ATOM 416 N THR A 28 22.418 1.586 5.648 1.00 0.00 N ATOM 417 CA THR A 28 20.979 1.374 5.596 1.00 0.00 C ATOM 418 C THR A 28 20.232 2.688 5.388 1.00 0.00 C ATOM 419 O THR A 28 20.369 3.625 6.176 1.00 0.00 O ATOM 420 CB THR A 28 20.464 0.686 6.877 1.00 0.00 C ATOM 421 OG1 THR A 28 20.917 -0.672 6.924 1.00 0.00 O ATOM 422 CG2 THR A 28 18.945 0.720 6.945 1.00 0.00 C ATOM 0 H THR A 28 22.700 2.553 5.807 1.00 0.00 H new ATOM 0 HA THR A 28 20.786 0.720 4.745 1.00 0.00 H new ATOM 0 HB THR A 28 20.860 1.232 7.733 1.00 0.00 H new ATOM 0 HG1 THR A 28 21.418 -0.878 6.107 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.611 0.228 7.858 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.604 1.755 6.945 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.530 0.201 6.081 1.00 0.00 H new ATOM 430 N LEU A 29 19.441 2.746 4.320 1.00 0.00 N ATOM 431 CA LEU A 29 18.694 3.954 3.989 1.00 0.00 C ATOM 432 C LEU A 29 17.307 3.943 4.631 1.00 0.00 C ATOM 433 O LEU A 29 17.018 3.117 5.498 1.00 0.00 O ATOM 434 CB LEU A 29 18.552 4.104 2.469 1.00 0.00 C ATOM 435 CG LEU A 29 19.852 4.342 1.692 1.00 0.00 C ATOM 436 CD1 LEU A 29 20.569 5.587 2.196 1.00 0.00 C ATOM 437 CD2 LEU A 29 20.761 3.129 1.781 1.00 0.00 C ATOM 0 H LEU A 29 19.301 1.972 3.671 1.00 0.00 H new ATOM 0 HA LEU A 29 19.254 4.801 4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.078 3.204 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 29 17.875 4.934 2.268 1.00 0.00 H new ATOM 0 HG LEU A 29 19.593 4.501 0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 29 21.488 5.733 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 29 19.923 6.455 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.811 5.465 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 29 21.678 3.319 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 29 21.006 2.934 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 29 20.253 2.262 1.359 1.00 0.00 H new ATOM 449 N LYS A 30 16.453 4.868 4.195 1.00 0.00 N ATOM 450 CA LYS A 30 15.090 4.969 4.711 1.00 0.00 C ATOM 451 C LYS A 30 14.082 4.599 3.629 1.00 0.00 C ATOM 452 O LYS A 30 13.603 3.466 3.575 1.00 0.00 O ATOM 453 CB LYS A 30 14.803 6.387 5.214 1.00 0.00 C ATOM 454 CG LYS A 30 14.203 6.429 6.611 1.00 0.00 C ATOM 455 CD LYS A 30 12.910 5.632 6.691 1.00 0.00 C ATOM 456 CE LYS A 30 12.339 5.634 8.100 1.00 0.00 C ATOM 457 NZ LYS A 30 13.276 5.017 9.080 1.00 0.00 N ATOM 0 H LYS A 30 16.683 5.561 3.483 1.00 0.00 H new ATOM 0 HA LYS A 30 14.994 4.273 5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 30 15.730 6.960 5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.121 6.878 4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.921 6.031 7.328 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.011 7.464 6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.179 6.053 6.001 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.094 4.606 6.374 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.121 6.658 8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.394 5.091 8.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.766 4.805 9.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.663 4.137 8.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.054 5.678 9.280 1.00 0.00 H new ATOM 471 N TYR A 31 13.767 5.569 2.772 1.00 0.00 N ATOM 472 CA TYR A 31 12.826 5.363 1.676 1.00 0.00 C ATOM 473 C TYR A 31 11.414 5.060 2.178 1.00 0.00 C ATOM 474 O TYR A 31 11.222 4.314 3.139 1.00 0.00 O ATOM 475 CB TYR A 31 13.314 4.230 0.767 1.00 0.00 C ATOM 476 CG TYR A 31 14.493 4.607 -0.102 1.00 0.00 C ATOM 477 CD1 TYR A 31 15.774 4.685 0.428 1.00 0.00 C ATOM 478 CD2 TYR A 31 14.325 4.879 -1.454 1.00 0.00 C ATOM 479 CE1 TYR A 31 16.855 5.026 -0.364 1.00 0.00 C ATOM 480 CE2 TYR A 31 15.401 5.220 -2.252 1.00 0.00 C ATOM 481 CZ TYR A 31 16.664 5.292 -1.702 1.00 0.00 C ATOM 482 OH TYR A 31 17.737 5.630 -2.494 1.00 0.00 O ATOM 0 H TYR A 31 14.154 6.512 2.818 1.00 0.00 H new ATOM 0 HA TYR A 31 12.780 6.292 1.108 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.589 3.375 1.384 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.491 3.910 0.128 1.00 0.00 H new ATOM 0 HD1 TYR A 31 15.929 4.476 1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.338 4.823 -1.889 1.00 0.00 H new ATOM 0 HE1 TYR A 31 17.845 5.084 0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 31 15.254 5.429 -3.301 1.00 0.00 H new ATOM 0 HH TYR A 31 17.430 5.784 -3.412 1.00 0.00 H new ATOM 492 N THR A 32 10.429 5.652 1.507 1.00 0.00 N ATOM 493 CA THR A 32 9.021 5.450 1.845 1.00 0.00 C ATOM 494 C THR A 32 8.281 4.882 0.637 1.00 0.00 C ATOM 495 O THR A 32 8.736 5.036 -0.491 1.00 0.00 O ATOM 496 CB THR A 32 8.350 6.760 2.297 1.00 0.00 C ATOM 497 OG1 THR A 32 6.927 6.600 2.333 1.00 0.00 O ATOM 498 CG2 THR A 32 8.716 7.903 1.366 1.00 0.00 C ATOM 0 H THR A 32 10.582 6.281 0.719 1.00 0.00 H new ATOM 0 HA THR A 32 8.973 4.747 2.676 1.00 0.00 H new ATOM 0 HB THR A 32 8.710 6.999 3.298 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.511 7.438 2.623 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.231 8.818 1.705 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.797 8.043 1.369 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.384 7.669 0.355 1.00 0.00 H new ATOM 506 N CYS A 33 7.141 4.238 0.861 1.00 0.00 N ATOM 507 CA CYS A 33 6.403 3.633 -0.245 1.00 0.00 C ATOM 508 C CYS A 33 5.110 4.372 -0.592 1.00 0.00 C ATOM 509 O CYS A 33 4.373 4.856 0.267 1.00 0.00 O ATOM 510 CB CYS A 33 6.111 2.166 0.056 1.00 0.00 C ATOM 511 SG CYS A 33 5.520 1.841 1.746 1.00 0.00 S ATOM 0 H CYS A 33 6.713 4.122 1.779 1.00 0.00 H new ATOM 0 HA CYS A 33 7.045 3.710 -1.123 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.364 1.806 -0.651 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.018 1.586 -0.115 1.00 0.00 H new ATOM 516 N LEU A 34 4.890 4.429 -1.907 1.00 0.00 N ATOM 517 CA LEU A 34 3.747 5.114 -2.504 1.00 0.00 C ATOM 518 C LEU A 34 2.430 4.745 -1.811 1.00 0.00 C ATOM 519 O LEU A 34 2.343 3.732 -1.119 1.00 0.00 O ATOM 520 CB LEU A 34 3.699 4.796 -3.998 1.00 0.00 C ATOM 521 CG LEU A 34 5.026 5.033 -4.732 1.00 0.00 C ATOM 522 CD1 LEU A 34 4.973 4.464 -6.139 1.00 0.00 C ATOM 523 CD2 LEU A 34 5.360 6.518 -4.770 1.00 0.00 C ATOM 0 H LEU A 34 5.508 3.996 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 34 3.873 6.188 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.405 3.754 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.925 5.406 -4.464 1.00 0.00 H new ATOM 0 HG LEU A 34 5.814 4.516 -4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.924 4.644 -6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.785 3.391 -6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.172 4.948 -6.697 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.304 6.665 -5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.568 7.056 -5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.447 6.897 -3.752 1.00 0.00 H new ATOM 535 N PRO A 35 1.386 5.583 -1.992 1.00 0.00 N ATOM 536 CA PRO A 35 0.068 5.380 -1.368 1.00 0.00 C ATOM 537 C PRO A 35 -0.537 3.999 -1.605 1.00 0.00 C ATOM 538 O PRO A 35 -1.282 3.496 -0.763 1.00 0.00 O ATOM 539 CB PRO A 35 -0.806 6.455 -2.017 1.00 0.00 C ATOM 540 CG PRO A 35 0.148 7.519 -2.429 1.00 0.00 C ATOM 541 CD PRO A 35 1.413 6.807 -2.819 1.00 0.00 C ATOM 0 HA PRO A 35 0.146 5.450 -0.283 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.351 6.058 -2.874 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.548 6.838 -1.317 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.248 8.097 -3.264 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.329 8.219 -1.613 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.430 6.572 -3.883 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.295 7.413 -2.612 1.00 0.00 H new ATOM 549 N GLY A 36 -0.227 3.387 -2.738 1.00 0.00 N ATOM 550 CA GLY A 36 -0.773 2.073 -3.042 1.00 0.00 C ATOM 551 C GLY A 36 0.138 0.932 -2.640 1.00 0.00 C ATOM 552 O GLY A 36 -0.205 -0.237 -2.812 1.00 0.00 O ATOM 0 H GLY A 36 0.391 3.772 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.730 1.960 -2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.971 2.009 -4.112 1.00 0.00 H new ATOM 556 N TYR A 37 1.281 1.271 -2.073 1.00 0.00 N ATOM 557 CA TYR A 37 2.240 0.266 -1.647 1.00 0.00 C ATOM 558 C TYR A 37 1.966 -0.175 -0.225 1.00 0.00 C ATOM 559 O TYR A 37 2.457 0.443 0.720 1.00 0.00 O ATOM 560 CB TYR A 37 3.668 0.818 -1.737 1.00 0.00 C ATOM 561 CG TYR A 37 4.369 0.512 -3.039 1.00 0.00 C ATOM 562 CD1 TYR A 37 4.875 -0.755 -3.289 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.511 1.483 -4.023 1.00 0.00 C ATOM 564 CE1 TYR A 37 5.501 -1.051 -4.484 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.134 1.194 -5.224 1.00 0.00 C ATOM 566 CZ TYR A 37 5.626 -0.075 -5.448 1.00 0.00 C ATOM 567 OH TYR A 37 6.245 -0.370 -6.641 1.00 0.00 O ATOM 0 H TYR A 37 1.569 2.234 -1.896 1.00 0.00 H new ATOM 0 HA TYR A 37 2.138 -0.593 -2.311 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.637 1.899 -1.599 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.256 0.409 -0.916 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.778 -1.523 -2.536 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.129 2.478 -3.848 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.890 -2.043 -4.662 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.234 1.957 -5.981 1.00 0.00 H new ATOM 0 HH TYR A 37 6.649 0.443 -7.010 1.00 0.00 H new ATOM 577 N VAL A 38 1.179 -1.235 -0.049 1.00 0.00 N ATOM 578 CA VAL A 38 0.856 -1.791 1.249 1.00 0.00 C ATOM 579 C VAL A 38 2.066 -2.480 1.866 1.00 0.00 C ATOM 580 O VAL A 38 2.958 -2.924 1.149 1.00 0.00 O ATOM 581 CB VAL A 38 -0.323 -2.779 1.064 1.00 0.00 C ATOM 582 CG1 VAL A 38 -0.170 -4.049 1.880 1.00 0.00 C ATOM 583 CG2 VAL A 38 -1.640 -2.087 1.365 1.00 0.00 C ATOM 0 H VAL A 38 0.744 -1.736 -0.824 1.00 0.00 H new ATOM 0 HA VAL A 38 0.567 -0.996 1.936 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.316 -3.092 0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.028 -4.699 1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.743 -4.565 1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.115 -3.797 2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.460 -2.792 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.635 -1.727 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.772 -1.244 0.686 1.00 0.00 H new ATOM 593 N ARG A 39 2.108 -2.564 3.190 1.00 0.00 N ATOM 594 CA ARG A 39 3.246 -3.182 3.859 1.00 0.00 C ATOM 595 C ARG A 39 2.866 -4.452 4.611 1.00 0.00 C ATOM 596 O ARG A 39 1.816 -4.530 5.248 1.00 0.00 O ATOM 597 CB ARG A 39 3.908 -2.180 4.811 1.00 0.00 C ATOM 598 CG ARG A 39 2.952 -1.545 5.813 1.00 0.00 C ATOM 599 CD ARG A 39 2.769 -2.415 7.046 1.00 0.00 C ATOM 600 NE ARG A 39 1.893 -1.792 8.035 1.00 0.00 N ATOM 601 CZ ARG A 39 1.471 -2.405 9.136 1.00 0.00 C ATOM 602 NH1 ARG A 39 1.840 -3.654 9.386 1.00 0.00 N ATOM 603 NH2 ARG A 39 0.678 -1.771 9.989 1.00 0.00 N ATOM 0 H ARG A 39 1.379 -2.218 3.814 1.00 0.00 H new ATOM 0 HA ARG A 39 3.954 -3.472 3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.705 -2.686 5.356 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.376 -1.391 4.222 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.333 -0.568 6.110 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.985 -1.379 5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.353 -3.378 6.751 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.741 -2.612 7.497 1.00 0.00 H new ATOM 0 HE ARG A 39 1.588 -0.833 7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.449 -4.146 8.733 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.515 -4.122 10.232 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.391 -0.811 9.801 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.355 -2.244 10.833 1.00 0.00 H new ATOM 617 N SER A 40 3.736 -5.453 4.505 1.00 0.00 N ATOM 618 CA SER A 40 3.547 -6.722 5.190 1.00 0.00 C ATOM 619 C SER A 40 4.543 -6.820 6.340 1.00 0.00 C ATOM 620 O SER A 40 4.343 -7.563 7.299 1.00 0.00 O ATOM 621 CB SER A 40 3.739 -7.890 4.218 1.00 0.00 C ATOM 622 OG SER A 40 3.431 -9.127 4.838 1.00 0.00 O ATOM 0 H SER A 40 4.587 -5.405 3.944 1.00 0.00 H new ATOM 0 HA SER A 40 2.531 -6.773 5.583 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.102 -7.749 3.345 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.769 -7.905 3.862 1.00 0.00 H new ATOM 0 HG SER A 40 3.560 -9.856 4.196 1.00 0.00 H new ATOM 628 N HIS A 41 5.621 -6.048 6.217 1.00 0.00 N ATOM 629 CA HIS A 41 6.671 -5.996 7.229 1.00 0.00 C ATOM 630 C HIS A 41 6.906 -4.547 7.648 1.00 0.00 C ATOM 631 O HIS A 41 7.279 -4.268 8.789 1.00 0.00 O ATOM 632 CB HIS A 41 7.968 -6.601 6.686 1.00 0.00 C ATOM 633 CG HIS A 41 7.836 -8.033 6.267 1.00 0.00 C ATOM 634 ND1 HIS A 41 7.425 -8.414 5.007 1.00 0.00 N ATOM 635 CD2 HIS A 41 8.066 -9.180 6.949 1.00 0.00 C ATOM 636 CE1 HIS A 41 7.408 -9.733 4.933 1.00 0.00 C ATOM 637 NE2 HIS A 41 7.793 -10.222 6.097 1.00 0.00 N ATOM 0 H HIS A 41 5.790 -5.442 5.414 1.00 0.00 H new ATOM 0 HA HIS A 41 6.355 -6.577 8.096 1.00 0.00 H new ATOM 0 HB2 HIS A 41 8.304 -6.012 5.833 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.742 -6.525 7.450 1.00 0.00 H new ATOM 0 HD2 HIS A 41 8.402 -9.260 7.972 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.127 -10.313 4.067 1.00 0.00 H new ATOM 0 HE2 HIS A 41 7.874 -11.213 6.326 1.00 0.00 H new ATOM 646 N SER A 42 6.688 -3.636 6.698 1.00 0.00 N ATOM 647 CA SER A 42 6.843 -2.197 6.924 1.00 0.00 C ATOM 648 C SER A 42 8.306 -1.782 7.069 1.00 0.00 C ATOM 649 O SER A 42 8.625 -0.595 7.003 1.00 0.00 O ATOM 650 CB SER A 42 6.045 -1.758 8.152 1.00 0.00 C ATOM 651 OG SER A 42 6.239 -0.380 8.422 1.00 0.00 O ATOM 0 H SER A 42 6.399 -3.875 5.749 1.00 0.00 H new ATOM 0 HA SER A 42 6.451 -1.694 6.040 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.985 -1.954 7.990 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.349 -2.347 9.017 1.00 0.00 H new ATOM 0 HG SER A 42 7.099 -0.092 8.051 1.00 0.00 H new ATOM 657 N THR A 43 9.191 -2.752 7.263 1.00 0.00 N ATOM 658 CA THR A 43 10.614 -2.456 7.406 1.00 0.00 C ATOM 659 C THR A 43 11.207 -1.999 6.077 1.00 0.00 C ATOM 660 O THR A 43 11.632 -2.817 5.264 1.00 0.00 O ATOM 661 CB THR A 43 11.405 -3.676 7.913 1.00 0.00 C ATOM 662 OG1 THR A 43 10.811 -4.184 9.114 1.00 0.00 O ATOM 663 CG2 THR A 43 12.857 -3.305 8.180 1.00 0.00 C ATOM 0 H THR A 43 8.953 -3.742 7.325 1.00 0.00 H new ATOM 0 HA THR A 43 10.697 -1.656 8.142 1.00 0.00 H new ATOM 0 HB THR A 43 11.376 -4.445 7.141 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.320 -4.961 9.428 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.397 -4.182 8.537 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.316 -2.947 7.259 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.899 -2.520 8.935 1.00 0.00 H new ATOM 671 N GLN A 44 11.244 -0.685 5.871 1.00 0.00 N ATOM 672 CA GLN A 44 11.771 -0.113 4.640 1.00 0.00 C ATOM 673 C GLN A 44 13.208 0.333 4.843 1.00 0.00 C ATOM 674 O GLN A 44 13.458 1.386 5.430 1.00 0.00 O ATOM 675 CB GLN A 44 10.918 1.079 4.205 1.00 0.00 C ATOM 676 CG GLN A 44 9.450 0.742 4.009 1.00 0.00 C ATOM 677 CD GLN A 44 8.606 1.971 3.740 1.00 0.00 C ATOM 678 OE1 GLN A 44 8.054 2.573 4.661 1.00 0.00 O ATOM 679 NE2 GLN A 44 8.507 2.354 2.473 1.00 0.00 N ATOM 0 H GLN A 44 10.913 0.005 6.546 1.00 0.00 H new ATOM 0 HA GLN A 44 11.741 -0.876 3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.004 1.867 4.953 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.317 1.479 3.273 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.348 0.045 3.177 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.075 0.234 4.898 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.982 1.825 1.742 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.956 3.178 2.231 1.00 0.00 H new ATOM 688 N THR A 45 14.151 -0.461 4.351 1.00 0.00 N ATOM 689 CA THR A 45 15.557 -0.136 4.507 1.00 0.00 C ATOM 690 C THR A 45 16.405 -0.741 3.394 1.00 0.00 C ATOM 691 O THR A 45 16.210 -1.892 3.002 1.00 0.00 O ATOM 692 CB THR A 45 16.102 -0.623 5.862 1.00 0.00 C ATOM 693 OG1 THR A 45 15.754 -1.998 6.068 1.00 0.00 O ATOM 694 CG2 THR A 45 15.555 0.222 7.004 1.00 0.00 C ATOM 0 H THR A 45 13.967 -1.327 3.845 1.00 0.00 H new ATOM 0 HA THR A 45 15.625 0.951 4.458 1.00 0.00 H new ATOM 0 HB THR A 45 17.187 -0.523 5.846 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.107 -2.299 6.931 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.955 -0.142 7.950 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.850 1.261 6.861 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.467 0.153 7.019 1.00 0.00 H new ATOM 702 N LEU A 46 17.347 0.048 2.891 1.00 0.00 N ATOM 703 CA LEU A 46 18.244 -0.402 1.834 1.00 0.00 C ATOM 704 C LEU A 46 19.611 -0.716 2.428 1.00 0.00 C ATOM 705 O LEU A 46 20.425 0.183 2.641 1.00 0.00 O ATOM 706 CB LEU A 46 18.372 0.661 0.742 1.00 0.00 C ATOM 707 CG LEU A 46 17.490 0.432 -0.488 1.00 0.00 C ATOM 708 CD1 LEU A 46 17.664 1.564 -1.486 1.00 0.00 C ATOM 709 CD2 LEU A 46 17.816 -0.905 -1.134 1.00 0.00 C ATOM 0 H LEU A 46 17.510 1.006 3.200 1.00 0.00 H new ATOM 0 HA LEU A 46 17.831 -1.303 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.127 1.633 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.413 0.708 0.421 1.00 0.00 H new ATOM 0 HG LEU A 46 16.448 0.414 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.030 1.385 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 46 17.382 2.507 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.706 1.613 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.180 -1.052 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.862 -0.915 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.640 -1.708 -0.418 1.00 0.00 H new ATOM 721 N THR A 47 19.860 -1.994 2.695 1.00 0.00 N ATOM 722 CA THR A 47 21.131 -2.410 3.270 1.00 0.00 C ATOM 723 C THR A 47 22.035 -3.007 2.204 1.00 0.00 C ATOM 724 O THR A 47 21.554 -3.581 1.226 1.00 0.00 O ATOM 725 CB THR A 47 20.933 -3.448 4.388 1.00 0.00 C ATOM 726 OG1 THR A 47 19.851 -3.052 5.239 1.00 0.00 O ATOM 727 CG2 THR A 47 22.202 -3.599 5.212 1.00 0.00 C ATOM 0 H THR A 47 19.202 -2.754 2.523 1.00 0.00 H new ATOM 0 HA THR A 47 21.595 -1.518 3.692 1.00 0.00 H new ATOM 0 HB THR A 47 20.699 -4.408 3.927 1.00 0.00 H new ATOM 0 HG1 THR A 47 20.134 -2.299 5.799 1.00 0.00 H new ATOM 0 HG21 THR A 47 22.040 -4.338 5.997 1.00 0.00 H new ATOM 0 HG22 THR A 47 23.017 -3.927 4.567 1.00 0.00 H new ATOM 0 HG23 THR A 47 22.459 -2.641 5.663 1.00 0.00 H new ATOM 735 N CYS A 48 23.343 -2.875 2.389 1.00 0.00 N ATOM 736 CA CYS A 48 24.287 -3.426 1.436 1.00 0.00 C ATOM 737 C CYS A 48 24.592 -4.862 1.837 1.00 0.00 C ATOM 738 O CYS A 48 25.158 -5.117 2.899 1.00 0.00 O ATOM 739 CB CYS A 48 25.559 -2.578 1.388 1.00 0.00 C ATOM 740 SG CYS A 48 26.851 -3.211 0.271 1.00 0.00 S ATOM 0 H CYS A 48 23.767 -2.396 3.183 1.00 0.00 H new ATOM 0 HA CYS A 48 23.858 -3.416 0.434 1.00 0.00 H new ATOM 0 HB2 CYS A 48 25.294 -1.567 1.080 1.00 0.00 H new ATOM 0 HB3 CYS A 48 25.971 -2.507 2.395 1.00 0.00 H new ATOM 745 N ASN A 49 24.207 -5.796 0.977 1.00 0.00 N ATOM 746 CA ASN A 49 24.453 -7.204 1.244 1.00 0.00 C ATOM 747 C ASN A 49 25.731 -7.664 0.552 1.00 0.00 C ATOM 748 O ASN A 49 26.445 -6.859 -0.045 1.00 0.00 O ATOM 749 CB ASN A 49 23.259 -8.051 0.794 1.00 0.00 C ATOM 750 CG ASN A 49 23.406 -8.569 -0.621 1.00 0.00 C ATOM 751 OD1 ASN A 49 23.879 -9.685 -0.835 1.00 0.00 O ATOM 752 ND2 ASN A 49 23.001 -7.762 -1.594 1.00 0.00 N ATOM 0 H ASN A 49 23.728 -5.605 0.097 1.00 0.00 H new ATOM 0 HA ASN A 49 24.580 -7.335 2.319 1.00 0.00 H new ATOM 0 HB2 ASN A 49 23.141 -8.895 1.474 1.00 0.00 H new ATOM 0 HB3 ASN A 49 22.349 -7.455 0.865 1.00 0.00 H new ATOM 0 HD21 ASN A 49 23.076 -8.059 -2.567 1.00 0.00 H new ATOM 0 HD22 ASN A 49 22.615 -6.845 -1.369 1.00 0.00 H new ATOM 759 N SER A 50 26.015 -8.958 0.631 1.00 0.00 N ATOM 760 CA SER A 50 27.215 -9.510 0.017 1.00 0.00 C ATOM 761 C SER A 50 26.879 -10.218 -1.301 1.00 0.00 C ATOM 762 O SER A 50 27.238 -11.377 -1.509 1.00 0.00 O ATOM 763 CB SER A 50 27.894 -10.483 0.981 1.00 0.00 C ATOM 764 OG SER A 50 29.111 -10.969 0.441 1.00 0.00 O ATOM 0 H SER A 50 25.432 -9.643 1.113 1.00 0.00 H new ATOM 0 HA SER A 50 27.898 -8.690 -0.203 1.00 0.00 H new ATOM 0 HB2 SER A 50 28.087 -9.984 1.931 1.00 0.00 H new ATOM 0 HB3 SER A 50 27.226 -11.318 1.190 1.00 0.00 H new ATOM 0 HG SER A 50 28.933 -11.427 -0.407 1.00 0.00 H new ATOM 770 N ASP A 51 26.189 -9.500 -2.182 1.00 0.00 N ATOM 771 CA ASP A 51 25.799 -10.026 -3.492 1.00 0.00 C ATOM 772 C ASP A 51 26.416 -9.174 -4.591 1.00 0.00 C ATOM 773 O ASP A 51 26.837 -9.683 -5.631 1.00 0.00 O ATOM 774 CB ASP A 51 24.276 -10.020 -3.636 1.00 0.00 C ATOM 775 CG ASP A 51 23.818 -10.551 -4.979 1.00 0.00 C ATOM 776 OD1 ASP A 51 23.695 -9.745 -5.926 1.00 0.00 O ATOM 777 OD2 ASP A 51 23.584 -11.773 -5.086 1.00 0.00 O ATOM 0 H ASP A 51 25.884 -8.542 -2.012 1.00 0.00 H new ATOM 0 HA ASP A 51 26.159 -11.051 -3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 51 23.837 -10.623 -2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 51 23.906 -9.003 -3.506 1.00 0.00 H new ATOM 782 N GLY A 52 26.463 -7.875 -4.347 1.00 0.00 N ATOM 783 CA GLY A 52 26.999 -6.942 -5.319 1.00 0.00 C ATOM 784 C GLY A 52 26.150 -5.691 -5.364 1.00 0.00 C ATOM 785 O GLY A 52 26.440 -4.737 -6.087 1.00 0.00 O ATOM 0 H GLY A 52 26.136 -7.444 -3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.026 -6.685 -5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 52 27.027 -7.407 -6.304 1.00 0.00 H new ATOM 789 N GLU A 53 25.088 -5.728 -4.567 1.00 0.00 N ATOM 790 CA GLU A 53 24.169 -4.603 -4.483 1.00 0.00 C ATOM 791 C GLU A 53 23.403 -4.588 -3.168 1.00 0.00 C ATOM 792 O GLU A 53 23.825 -5.172 -2.170 1.00 0.00 O ATOM 793 CB GLU A 53 23.185 -4.637 -5.655 1.00 0.00 C ATOM 794 CG GLU A 53 22.121 -5.713 -5.521 1.00 0.00 C ATOM 795 CD GLU A 53 21.130 -5.702 -6.669 1.00 0.00 C ATOM 796 OE1 GLU A 53 21.482 -6.189 -7.763 1.00 0.00 O ATOM 797 OE2 GLU A 53 20.002 -5.204 -6.473 1.00 0.00 O ATOM 0 H GLU A 53 24.844 -6.521 -3.973 1.00 0.00 H new ATOM 0 HA GLU A 53 24.766 -3.692 -4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 53 22.699 -3.665 -5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 53 23.739 -4.798 -6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 53 22.602 -6.690 -5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 53 21.585 -5.573 -4.582 1.00 0.00 H new ATOM 804 N TRP A 54 22.258 -3.924 -3.199 1.00 0.00 N ATOM 805 CA TRP A 54 21.412 -3.766 -2.039 1.00 0.00 C ATOM 806 C TRP A 54 20.422 -4.911 -1.877 1.00 0.00 C ATOM 807 O TRP A 54 20.403 -5.866 -2.655 1.00 0.00 O ATOM 808 CB TRP A 54 20.658 -2.452 -2.178 1.00 0.00 C ATOM 809 CG TRP A 54 21.555 -1.312 -2.548 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.004 -0.991 -3.796 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.124 -0.353 -1.659 1.00 0.00 C ATOM 812 NE1 TRP A 54 22.817 0.115 -3.734 1.00 0.00 N ATOM 813 CE2 TRP A 54 22.906 0.527 -2.431 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.045 -0.154 -0.284 1.00 0.00 C ATOM 815 CZ2 TRP A 54 23.604 1.591 -1.866 1.00 0.00 C ATOM 816 CZ3 TRP A 54 22.736 0.902 0.276 1.00 0.00 C ATOM 817 CH2 TRP A 54 23.508 1.762 -0.513 1.00 0.00 C ATOM 0 H TRP A 54 21.892 -3.478 -4.040 1.00 0.00 H new ATOM 0 HA TRP A 54 22.044 -3.768 -1.151 1.00 0.00 H new ATOM 0 HB2 TRP A 54 19.882 -2.560 -2.936 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.155 -2.224 -1.238 1.00 0.00 H new ATOM 0 HD1 TRP A 54 21.757 -1.528 -4.700 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.279 0.557 -4.529 1.00 0.00 H new ATOM 0 HE3 TRP A 54 21.454 -0.814 0.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 24.199 2.256 -2.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 22.680 1.067 1.342 1.00 0.00 H new ATOM 0 HH2 TRP A 54 24.039 2.577 -0.044 1.00 0.00 H new ATOM 828 N VAL A 55 19.597 -4.773 -0.847 1.00 0.00 N ATOM 829 CA VAL A 55 18.596 -5.767 -0.489 1.00 0.00 C ATOM 830 C VAL A 55 17.509 -5.152 0.366 1.00 0.00 C ATOM 831 O VAL A 55 17.731 -4.180 1.088 1.00 0.00 O ATOM 832 CB VAL A 55 19.191 -6.938 0.300 1.00 0.00 C ATOM 833 CG1 VAL A 55 19.973 -7.871 -0.606 1.00 0.00 C ATOM 834 CG2 VAL A 55 20.048 -6.418 1.433 1.00 0.00 C ATOM 0 H VAL A 55 19.605 -3.960 -0.231 1.00 0.00 H new ATOM 0 HA VAL A 55 18.191 -6.135 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 55 18.374 -7.519 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 55 20.383 -8.691 -0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 55 19.312 -8.271 -1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 55 20.787 -7.322 -1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 55 20.466 -7.258 1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 55 20.858 -5.811 1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 55 19.438 -5.810 2.101 1.00 0.00 H new ATOM 844 N TYR A 56 16.331 -5.741 0.270 1.00 0.00 N ATOM 845 CA TYR A 56 15.185 -5.271 1.034 1.00 0.00 C ATOM 846 C TYR A 56 14.027 -6.263 0.951 1.00 0.00 C ATOM 847 O TYR A 56 13.024 -6.144 1.657 1.00 0.00 O ATOM 848 CB TYR A 56 14.742 -3.909 0.494 1.00 0.00 C ATOM 849 CG TYR A 56 14.727 -3.840 -1.022 1.00 0.00 C ATOM 850 CD1 TYR A 56 15.894 -3.581 -1.734 1.00 0.00 C ATOM 851 CD2 TYR A 56 13.553 -4.040 -1.739 1.00 0.00 C ATOM 852 CE1 TYR A 56 15.893 -3.525 -3.114 1.00 0.00 C ATOM 853 CE2 TYR A 56 13.545 -3.986 -3.121 1.00 0.00 C ATOM 854 CZ TYR A 56 14.716 -3.728 -3.804 1.00 0.00 C ATOM 855 OH TYR A 56 14.711 -3.676 -5.179 1.00 0.00 O ATOM 0 H TYR A 56 16.141 -6.545 -0.328 1.00 0.00 H new ATOM 0 HA TYR A 56 15.477 -5.178 2.080 1.00 0.00 H new ATOM 0 HB2 TYR A 56 13.744 -3.684 0.871 1.00 0.00 H new ATOM 0 HB3 TYR A 56 15.410 -3.139 0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 56 16.818 -3.421 -1.198 1.00 0.00 H new ATOM 0 HD2 TYR A 56 12.634 -4.241 -1.209 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.809 -3.323 -3.650 1.00 0.00 H new ATOM 0 HE2 TYR A 56 12.625 -4.145 -3.664 1.00 0.00 H new ATOM 0 HH TYR A 56 13.880 -4.070 -5.518 1.00 0.00 H new ATOM 865 N ASN A 57 14.205 -7.246 0.072 1.00 0.00 N ATOM 866 CA ASN A 57 13.248 -8.335 -0.135 1.00 0.00 C ATOM 867 C ASN A 57 11.827 -7.871 -0.464 1.00 0.00 C ATOM 868 O ASN A 57 10.950 -8.714 -0.651 1.00 0.00 O ATOM 869 CB ASN A 57 13.206 -9.222 1.107 1.00 0.00 C ATOM 870 CG ASN A 57 14.539 -9.885 1.399 1.00 0.00 C ATOM 871 OD1 ASN A 57 14.882 -10.131 2.555 1.00 0.00 O ATOM 872 ND2 ASN A 57 15.299 -10.179 0.350 1.00 0.00 N ATOM 0 H ASN A 57 15.029 -7.311 -0.526 1.00 0.00 H new ATOM 0 HA ASN A 57 13.604 -8.884 -1.007 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.907 -8.622 1.967 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.444 -9.990 0.974 1.00 0.00 H new ATOM 0 HD21 ASN A 57 16.206 -10.626 0.486 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.976 -9.958 -0.592 1.00 0.00 H new ATOM 879 N THR A 58 11.598 -6.556 -0.516 1.00 0.00 N ATOM 880 CA THR A 58 10.285 -5.972 -0.800 1.00 0.00 C ATOM 881 C THR A 58 9.591 -5.613 0.504 1.00 0.00 C ATOM 882 O THR A 58 8.764 -6.367 1.017 1.00 0.00 O ATOM 883 CB THR A 58 9.381 -6.906 -1.621 1.00 0.00 C ATOM 884 OG1 THR A 58 10.002 -7.214 -2.874 1.00 0.00 O ATOM 885 CG2 THR A 58 8.012 -6.281 -1.865 1.00 0.00 C ATOM 0 H THR A 58 12.327 -5.860 -0.360 1.00 0.00 H new ATOM 0 HA THR A 58 10.457 -5.079 -1.401 1.00 0.00 H new ATOM 0 HB THR A 58 9.240 -7.823 -1.049 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.420 -7.811 -3.390 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.398 -6.967 -2.448 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.527 -6.083 -0.909 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.131 -5.346 -2.412 1.00 0.00 H new ATOM 893 N PHE A 59 9.957 -4.460 1.041 1.00 0.00 N ATOM 894 CA PHE A 59 9.405 -3.984 2.300 1.00 0.00 C ATOM 895 C PHE A 59 7.917 -3.666 2.190 1.00 0.00 C ATOM 896 O PHE A 59 7.114 -4.155 2.984 1.00 0.00 O ATOM 897 CB PHE A 59 10.184 -2.754 2.773 1.00 0.00 C ATOM 898 CG PHE A 59 10.683 -1.883 1.654 1.00 0.00 C ATOM 899 CD1 PHE A 59 9.855 -0.951 1.052 1.00 0.00 C ATOM 900 CD2 PHE A 59 11.987 -2.005 1.202 1.00 0.00 C ATOM 901 CE1 PHE A 59 10.318 -0.156 0.021 1.00 0.00 C ATOM 902 CE2 PHE A 59 12.456 -1.213 0.172 1.00 0.00 C ATOM 903 CZ PHE A 59 11.620 -0.288 -0.419 1.00 0.00 C ATOM 0 H PHE A 59 10.641 -3.831 0.620 1.00 0.00 H new ATOM 0 HA PHE A 59 9.507 -4.783 3.034 1.00 0.00 H new ATOM 0 HB2 PHE A 59 9.545 -2.160 3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 59 11.034 -3.082 3.372 1.00 0.00 H new ATOM 0 HD1 PHE A 59 8.836 -0.844 1.392 1.00 0.00 H new ATOM 0 HD2 PHE A 59 12.645 -2.728 1.661 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.662 0.568 -0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.475 -1.318 -0.170 1.00 0.00 H new ATOM 0 HZ PHE A 59 11.984 0.332 -1.225 1.00 0.00 H new ATOM 913 N CYS A 60 7.552 -2.852 1.207 1.00 0.00 N ATOM 914 CA CYS A 60 6.157 -2.482 1.013 1.00 0.00 C ATOM 915 C CYS A 60 5.543 -3.265 -0.139 1.00 0.00 C ATOM 916 O CYS A 60 5.761 -2.948 -1.308 1.00 0.00 O ATOM 917 CB CYS A 60 6.028 -0.980 0.756 1.00 0.00 C ATOM 918 SG CYS A 60 6.368 0.057 2.215 1.00 0.00 S ATOM 0 H CYS A 60 8.199 -2.438 0.536 1.00 0.00 H new ATOM 0 HA CYS A 60 5.615 -2.728 1.926 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.713 -0.699 -0.044 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.020 -0.769 0.400 1.00 0.00 H new ATOM 923 N ILE A 61 4.780 -4.294 0.205 1.00 0.00 N ATOM 924 CA ILE A 61 4.128 -5.129 -0.790 1.00 0.00 C ATOM 925 C ILE A 61 2.882 -4.448 -1.353 1.00 0.00 C ATOM 926 O ILE A 61 1.811 -4.468 -0.744 1.00 0.00 O ATOM 927 CB ILE A 61 3.752 -6.501 -0.198 1.00 0.00 C ATOM 928 CG1 ILE A 61 3.037 -7.358 -1.242 1.00 0.00 C ATOM 929 CG2 ILE A 61 2.895 -6.332 1.048 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.745 -8.767 -0.770 1.00 0.00 C ATOM 0 H ILE A 61 4.598 -4.570 1.170 1.00 0.00 H new ATOM 0 HA ILE A 61 4.838 -5.280 -1.603 1.00 0.00 H new ATOM 0 HB ILE A 61 4.669 -7.014 0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.100 -6.874 -1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.649 -7.405 -2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.640 -7.313 1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.449 -5.765 1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.981 -5.797 0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.237 -9.318 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.680 -9.269 -0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.107 -8.730 0.113 1.00 0.00 H new ATOM 942 N TYR A 62 3.037 -3.836 -2.518 1.00 0.00 N ATOM 943 CA TYR A 62 1.938 -3.146 -3.181 1.00 0.00 C ATOM 944 C TYR A 62 0.796 -4.091 -3.493 1.00 0.00 C ATOM 945 O TYR A 62 0.961 -5.047 -4.251 1.00 0.00 O ATOM 946 CB TYR A 62 2.422 -2.518 -4.489 1.00 0.00 C ATOM 947 CG TYR A 62 1.545 -1.398 -5.002 1.00 0.00 C ATOM 948 CD1 TYR A 62 0.199 -1.588 -5.287 1.00 0.00 C ATOM 949 CD2 TYR A 62 2.080 -0.139 -5.189 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.583 -0.542 -5.743 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.317 0.911 -5.641 1.00 0.00 C ATOM 952 CZ TYR A 62 -0.016 0.709 -5.917 1.00 0.00 C ATOM 953 OH TYR A 62 -0.783 1.756 -6.367 1.00 0.00 O ATOM 0 H TYR A 62 3.920 -3.803 -3.028 1.00 0.00 H new ATOM 0 HA TYR A 62 1.582 -2.374 -2.499 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.432 -2.135 -4.343 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.483 -3.295 -5.251 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.242 -2.564 -5.151 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.126 0.025 -4.974 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.629 -0.700 -5.962 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.760 1.886 -5.778 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.230 2.562 -6.432 1.00 0.00 H new ATOM 963 N LYS A 63 -0.365 -3.826 -2.909 1.00 0.00 N ATOM 964 CA LYS A 63 -1.544 -4.622 -3.174 1.00 0.00 C ATOM 965 C LYS A 63 -2.797 -3.867 -2.756 1.00 0.00 C ATOM 966 O LYS A 63 -2.988 -3.561 -1.579 1.00 0.00 O ATOM 967 CB LYS A 63 -1.450 -5.964 -2.448 1.00 0.00 C ATOM 968 CG LYS A 63 -1.000 -5.856 -1.001 1.00 0.00 C ATOM 969 CD LYS A 63 -0.787 -7.232 -0.393 1.00 0.00 C ATOM 970 CE LYS A 63 -0.528 -7.154 1.096 1.00 0.00 C ATOM 971 NZ LYS A 63 -0.257 -8.493 1.688 1.00 0.00 N ATOM 0 H LYS A 63 -0.510 -3.063 -2.248 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.605 -4.815 -4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.425 -6.451 -2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.755 -6.608 -2.986 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.074 -5.283 -0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.747 -5.311 -0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.665 -7.851 -0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.055 -7.720 -0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.322 -6.497 1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.390 -6.707 1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.781 -8.590 2.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.562 -9.234 1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.762 -8.591 1.872 1.00 0.00 H new ATOM 985 N ARG A 64 -3.650 -3.567 -3.730 1.00 0.00 N ATOM 986 CA ARG A 64 -4.878 -2.830 -3.474 1.00 0.00 C ATOM 987 C ARG A 64 -6.101 -3.596 -3.970 1.00 0.00 C ATOM 988 O ARG A 64 -5.992 -4.482 -4.817 1.00 0.00 O ATOM 989 CB ARG A 64 -4.809 -1.463 -4.150 1.00 0.00 C ATOM 990 CG ARG A 64 -3.761 -0.544 -3.547 1.00 0.00 C ATOM 991 CD ARG A 64 -3.389 0.576 -4.502 1.00 0.00 C ATOM 992 NE ARG A 64 -4.561 1.301 -4.987 1.00 0.00 N ATOM 993 CZ ARG A 64 -4.497 2.464 -5.628 1.00 0.00 C ATOM 994 NH1 ARG A 64 -3.323 3.039 -5.853 1.00 0.00 N ATOM 995 NH2 ARG A 64 -5.608 3.055 -6.044 1.00 0.00 N ATOM 0 H ARG A 64 -3.511 -3.825 -4.707 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.978 -2.701 -2.396 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.594 -1.600 -5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.785 -0.983 -4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.139 -0.120 -2.617 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.871 -1.121 -3.296 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.716 1.271 -3.999 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.844 0.162 -5.350 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.481 0.891 -4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.465 2.589 -5.534 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.278 3.931 -6.345 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.513 2.618 -5.872 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.558 3.947 -6.536 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.268 -3.230 -3.450 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.513 -3.874 -3.833 1.00 0.00 C ATOM 1011 C CYS A 65 -9.192 -3.049 -4.910 1.00 0.00 C ATOM 1012 O CYS A 65 -9.225 -1.822 -4.821 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.437 -4.011 -2.622 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.600 -4.565 -1.101 1.00 0.00 S ATOM 0 H CYS A 65 -7.374 -2.487 -2.759 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.296 -4.871 -4.217 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -9.913 -3.049 -2.432 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.232 -4.717 -2.864 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.726 -3.708 -5.930 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.381 -2.982 -7.002 1.00 0.00 C ATOM 1021 C ARG A 66 -11.482 -2.105 -6.420 1.00 0.00 C ATOM 1022 O ARG A 66 -12.285 -2.561 -5.609 1.00 0.00 O ATOM 1023 CB ARG A 66 -10.939 -3.940 -8.056 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.681 -3.245 -9.185 1.00 0.00 C ATOM 1025 CD ARG A 66 -10.724 -2.549 -10.138 1.00 0.00 C ATOM 1026 NE ARG A 66 -9.944 -3.506 -10.919 1.00 0.00 N ATOM 1027 CZ ARG A 66 -9.140 -3.160 -11.921 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -9.002 -1.884 -12.254 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -8.474 -4.092 -12.588 1.00 0.00 N ATOM 0 H ARG A 66 -9.718 -4.723 -6.035 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.648 -2.347 -7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.118 -4.521 -8.477 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.613 -4.646 -7.571 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.275 -3.975 -9.734 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.376 -2.516 -8.769 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.287 -1.904 -10.812 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.050 -1.907 -9.571 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.020 -4.495 -10.683 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.513 -1.165 -11.742 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.385 -1.621 -13.023 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.578 -5.074 -12.333 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.858 -3.827 -13.356 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.522 -0.853 -6.845 1.00 0.00 N ATOM 1044 CA HIS A 67 -12.515 0.086 -6.335 1.00 0.00 C ATOM 1045 C HIS A 67 -13.931 -0.439 -6.576 1.00 0.00 C ATOM 1046 O HIS A 67 -14.335 -0.633 -7.723 1.00 0.00 O ATOM 1047 CB HIS A 67 -12.341 1.454 -7.000 1.00 0.00 C ATOM 1048 CG HIS A 67 -13.255 2.508 -6.457 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -13.158 3.000 -5.171 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -14.289 3.165 -7.031 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -14.094 3.912 -4.979 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -14.793 4.031 -6.092 1.00 0.00 N ATOM 0 H HIS A 67 -10.884 -0.462 -7.538 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.365 0.193 -5.261 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -11.309 1.781 -6.874 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -12.514 1.352 -8.071 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -14.651 3.033 -8.040 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -14.259 4.466 -4.067 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -15.580 4.664 -6.232 1.00 0.00 H new ATOM 1061 N PRO A 68 -14.705 -0.684 -5.496 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.078 -1.180 -5.609 1.00 0.00 C ATOM 1063 C PRO A 68 -16.874 -0.411 -6.655 1.00 0.00 C ATOM 1064 O PRO A 68 -17.774 -0.961 -7.289 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.656 -0.951 -4.216 1.00 0.00 C ATOM 1066 CG PRO A 68 -15.483 -1.015 -3.303 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.306 -0.489 -4.087 1.00 0.00 C ATOM 0 HA PRO A 68 -16.116 -2.222 -5.927 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.157 0.015 -4.149 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.395 -1.712 -3.964 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.653 -0.416 -2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.304 -2.038 -2.972 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.116 0.562 -3.867 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.392 -1.034 -3.851 1.00 0.00 H new ATOM 1075 N GLY A 69 -16.528 0.855 -6.845 1.00 0.00 N ATOM 1076 CA GLY A 69 -17.226 1.671 -7.816 1.00 0.00 C ATOM 1077 C GLY A 69 -18.184 2.658 -7.179 1.00 0.00 C ATOM 1078 O GLY A 69 -18.142 2.909 -5.974 1.00 0.00 O ATOM 0 H GLY A 69 -15.777 1.330 -6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.497 2.216 -8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.779 1.024 -8.497 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.047 3.208 -8.020 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.028 4.182 -7.571 1.00 0.00 C ATOM 1084 C GLU A 70 -21.209 3.491 -6.890 1.00 0.00 C ATOM 1085 O GLU A 70 -21.694 2.459 -7.351 1.00 0.00 O ATOM 1086 CB GLU A 70 -20.510 5.041 -8.740 1.00 0.00 C ATOM 1087 CG GLU A 70 -21.563 6.068 -8.352 1.00 0.00 C ATOM 1088 CD GLU A 70 -22.084 6.843 -9.546 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -23.023 6.351 -10.209 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -21.554 7.941 -9.819 1.00 0.00 O ATOM 0 H GLU A 70 -19.087 2.996 -9.017 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.548 4.833 -6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -19.655 5.558 -9.176 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -20.918 4.390 -9.513 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -22.394 5.563 -7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -21.138 6.764 -7.628 1.00 0.00 H new ATOM 1097 N LEU A 71 -21.656 4.080 -5.783 1.00 0.00 N ATOM 1098 CA LEU A 71 -22.796 3.565 -5.032 1.00 0.00 C ATOM 1099 C LEU A 71 -24.047 4.301 -5.486 1.00 0.00 C ATOM 1100 O LEU A 71 -24.310 5.416 -5.034 1.00 0.00 O ATOM 1101 CB LEU A 71 -22.583 3.773 -3.525 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.274 2.764 -2.596 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -22.970 3.093 -1.142 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -24.781 2.738 -2.824 1.00 0.00 C ATOM 0 H LEU A 71 -21.241 4.922 -5.384 1.00 0.00 H new ATOM 0 HA LEU A 71 -22.903 2.496 -5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -21.512 3.746 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -22.931 4.772 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 71 -22.882 1.774 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -23.466 2.370 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -21.893 3.050 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -23.333 4.095 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -25.238 2.013 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -25.196 3.727 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -24.988 2.455 -3.856 1.00 0.00 H new ATOM 1116 N ARG A 72 -24.814 3.694 -6.384 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.040 4.331 -6.854 1.00 0.00 C ATOM 1118 C ARG A 72 -26.988 4.506 -5.678 1.00 0.00 C ATOM 1119 O ARG A 72 -27.352 3.546 -4.998 1.00 0.00 O ATOM 1120 CB ARG A 72 -26.689 3.545 -7.994 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.064 4.057 -8.386 1.00 0.00 C ATOM 1122 CD ARG A 72 -28.590 3.349 -9.625 1.00 0.00 C ATOM 1123 NE ARG A 72 -27.686 3.492 -10.763 1.00 0.00 N ATOM 1124 CZ ARG A 72 -27.687 2.677 -11.815 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -28.538 1.662 -11.870 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -26.836 2.878 -12.812 1.00 0.00 N ATOM 0 H ARG A 72 -24.616 2.781 -6.794 1.00 0.00 H new ATOM 0 HA ARG A 72 -25.796 5.311 -7.265 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.036 3.581 -8.866 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -26.771 2.498 -7.701 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -28.758 3.909 -7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.014 5.130 -8.572 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -28.731 2.291 -9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -29.568 3.754 -9.886 1.00 0.00 H new ATOM 0 HE ARG A 72 -27.015 4.261 -10.751 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -29.194 1.504 -11.105 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -28.537 1.039 -12.677 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -26.180 3.658 -12.773 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -26.838 2.253 -13.618 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.372 5.762 -5.456 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.213 6.127 -4.330 1.00 0.00 C ATOM 1142 C ASN A 73 -27.411 5.854 -3.075 1.00 0.00 C ATOM 1143 O ASN A 73 -27.914 5.264 -2.123 1.00 0.00 O ATOM 1144 CB ASN A 73 -29.522 5.332 -4.324 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.270 5.432 -5.637 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -30.183 6.439 -6.342 1.00 0.00 O ATOM 1147 ND2 ASN A 73 -31.012 4.384 -5.973 1.00 0.00 N ATOM 0 H ASN A 73 -27.108 6.547 -6.051 1.00 0.00 H new ATOM 0 HA ASN A 73 -28.494 7.178 -4.393 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.306 4.285 -4.112 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.160 5.695 -3.518 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.540 4.392 -6.846 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -31.054 3.571 -5.358 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.166 6.314 -3.063 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.319 6.073 -1.922 1.00 0.00 C ATOM 1156 C GLY A 74 -23.970 6.749 -2.036 1.00 0.00 C ATOM 1157 O GLY A 74 -23.682 7.418 -3.028 1.00 0.00 O ATOM 0 H GLY A 74 -25.735 6.845 -3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -25.822 6.426 -1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.173 4.999 -1.805 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.144 6.568 -1.015 1.00 0.00 N ATOM 1162 CA GLN A 75 -21.819 7.173 -1.000 1.00 0.00 C ATOM 1163 C GLN A 75 -20.754 6.167 -0.580 1.00 0.00 C ATOM 1164 O GLN A 75 -20.950 5.382 0.348 1.00 0.00 O ATOM 1165 CB GLN A 75 -21.795 8.388 -0.069 1.00 0.00 C ATOM 1166 CG GLN A 75 -22.705 9.516 -0.523 1.00 0.00 C ATOM 1167 CD GLN A 75 -22.617 10.737 0.373 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -21.800 11.630 0.147 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -23.461 10.781 1.398 1.00 0.00 N ATOM 0 H GLN A 75 -23.366 6.010 -0.190 1.00 0.00 H new ATOM 0 HA GLN A 75 -21.592 7.500 -2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.090 8.074 0.932 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -20.774 8.762 0.002 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -22.444 9.799 -1.543 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -23.735 9.160 -0.545 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -24.122 10.018 1.548 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -23.448 11.577 2.035 1.00 0.00 H new ATOM 1178 N VAL A 76 -19.626 6.203 -1.280 1.00 0.00 N ATOM 1179 CA VAL A 76 -18.514 5.310 -0.984 1.00 0.00 C ATOM 1180 C VAL A 76 -17.411 6.081 -0.275 1.00 0.00 C ATOM 1181 O VAL A 76 -16.688 6.856 -0.902 1.00 0.00 O ATOM 1182 CB VAL A 76 -17.942 4.655 -2.257 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -16.667 3.885 -1.935 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -18.976 3.744 -2.901 1.00 0.00 C ATOM 0 H VAL A 76 -19.458 6.842 -2.057 1.00 0.00 H new ATOM 0 HA VAL A 76 -18.894 4.516 -0.341 1.00 0.00 H new ATOM 0 HB VAL A 76 -17.694 5.443 -2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.277 3.429 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -15.923 4.568 -1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.887 3.106 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -18.554 3.291 -3.798 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -19.259 2.961 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.857 4.327 -3.169 1.00 0.00 H new ATOM 1194 N GLU A 77 -17.282 5.878 1.029 1.00 0.00 N ATOM 1195 CA GLU A 77 -16.261 6.573 1.795 1.00 0.00 C ATOM 1196 C GLU A 77 -14.879 5.990 1.528 1.00 0.00 C ATOM 1197 O GLU A 77 -14.482 5.002 2.143 1.00 0.00 O ATOM 1198 CB GLU A 77 -16.565 6.512 3.289 1.00 0.00 C ATOM 1199 CG GLU A 77 -15.443 7.074 4.146 1.00 0.00 C ATOM 1200 CD GLU A 77 -15.247 8.564 3.945 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -14.467 8.944 3.045 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -15.871 9.351 4.688 1.00 0.00 O ATOM 0 H GLU A 77 -17.867 5.243 1.573 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.267 7.615 1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.482 7.066 3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.749 5.476 3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.660 6.878 5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.515 6.554 3.910 1.00 0.00 H new ATOM 1209 N ILE A 78 -14.155 6.612 0.609 1.00 0.00 N ATOM 1210 CA ILE A 78 -12.810 6.168 0.271 1.00 0.00 C ATOM 1211 C ILE A 78 -11.792 7.166 0.810 1.00 0.00 C ATOM 1212 O ILE A 78 -12.077 8.361 0.896 1.00 0.00 O ATOM 1213 CB ILE A 78 -12.626 5.985 -1.254 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -11.925 4.655 -1.544 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -11.847 7.141 -1.860 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -12.817 3.451 -1.343 1.00 0.00 C ATOM 0 H ILE A 78 -14.476 7.425 0.084 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.652 5.194 0.734 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.613 5.973 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -11.561 4.661 -2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -11.052 4.564 -0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.735 6.982 -2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.385 8.073 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.862 7.198 -1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -12.257 2.542 -1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.161 3.421 -0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.677 3.520 -2.009 1.00 0.00 H new ATOM 1228 N LYS A 79 -10.611 6.681 1.169 1.00 0.00 N ATOM 1229 CA LYS A 79 -9.581 7.549 1.727 1.00 0.00 C ATOM 1230 C LYS A 79 -8.277 6.806 1.930 1.00 0.00 C ATOM 1231 O LYS A 79 -7.456 7.195 2.762 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.045 8.099 3.074 1.00 0.00 C ATOM 1233 CG LYS A 79 -10.221 7.024 4.145 1.00 0.00 C ATOM 1234 CD LYS A 79 -11.304 6.026 3.783 1.00 0.00 C ATOM 1235 CE LYS A 79 -11.876 5.365 5.023 1.00 0.00 C ATOM 1236 NZ LYS A 79 -12.423 6.363 5.983 1.00 0.00 N ATOM 0 H LYS A 79 -10.343 5.700 1.085 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.414 8.361 1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.322 8.835 3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.991 8.622 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.277 6.498 4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.468 7.497 5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.100 6.531 3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.894 5.266 3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.664 4.670 4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.099 4.778 5.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.174 5.922 6.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.663 6.694 6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.815 7.171 5.458 1.00 0.00 H new ATOM 1250 N THR A 80 -8.076 5.754 1.162 1.00 0.00 N ATOM 1251 CA THR A 80 -6.871 4.962 1.289 1.00 0.00 C ATOM 1252 C THR A 80 -6.482 4.369 -0.049 1.00 0.00 C ATOM 1253 O THR A 80 -5.658 3.457 -0.117 1.00 0.00 O ATOM 1254 CB THR A 80 -7.057 3.828 2.314 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.055 2.909 1.854 1.00 0.00 O ATOM 1256 CG2 THR A 80 -7.463 4.385 3.675 1.00 0.00 C ATOM 0 H THR A 80 -8.728 5.430 0.448 1.00 0.00 H new ATOM 0 HA THR A 80 -6.078 5.624 1.637 1.00 0.00 H new ATOM 0 HB THR A 80 -6.105 3.308 2.421 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.612 2.626 2.609 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.588 3.564 4.381 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.688 5.061 4.037 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.403 4.928 3.580 1.00 0.00 H new ATOM 1264 N ASP A 81 -7.084 4.891 -1.117 1.00 0.00 N ATOM 1265 CA ASP A 81 -6.792 4.394 -2.459 1.00 0.00 C ATOM 1266 C ASP A 81 -7.125 2.919 -2.568 1.00 0.00 C ATOM 1267 O ASP A 81 -6.786 2.261 -3.552 1.00 0.00 O ATOM 1268 CB ASP A 81 -5.317 4.564 -2.766 1.00 0.00 C ATOM 1269 CG ASP A 81 -4.923 6.014 -2.977 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -5.078 6.512 -4.111 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -4.460 6.650 -2.008 1.00 0.00 O ATOM 0 H ASP A 81 -7.767 5.647 -1.080 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.397 4.964 -3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.730 4.148 -1.947 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.068 3.991 -3.659 1.00 0.00 H new ATOM 1276 N LEU A 82 -7.784 2.414 -1.538 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.158 1.013 -1.474 1.00 0.00 C ATOM 1278 C LEU A 82 -6.909 0.157 -1.336 1.00 0.00 C ATOM 1279 O LEU A 82 -6.670 -0.744 -2.134 1.00 0.00 O ATOM 1280 CB LEU A 82 -8.927 0.642 -2.729 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.155 1.508 -2.986 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -10.087 2.140 -4.366 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -11.412 0.683 -2.832 1.00 0.00 C ATOM 0 H LEU A 82 -8.073 2.961 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.794 0.838 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.258 0.715 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.239 -0.400 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.176 2.312 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.973 2.754 -4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.196 2.763 -4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.044 1.357 -5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.284 1.310 -3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.398 -0.139 -3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.462 0.282 -1.820 1.00 0.00 H new ATOM 1295 N SER A 83 -6.125 0.439 -0.310 1.00 0.00 N ATOM 1296 CA SER A 83 -4.911 -0.328 -0.053 1.00 0.00 C ATOM 1297 C SER A 83 -5.125 -1.279 1.121 1.00 0.00 C ATOM 1298 O SER A 83 -5.623 -0.875 2.172 1.00 0.00 O ATOM 1299 CB SER A 83 -3.725 0.604 0.208 1.00 0.00 C ATOM 1300 OG SER A 83 -4.028 1.551 1.217 1.00 0.00 O ATOM 0 H SER A 83 -6.303 1.189 0.358 1.00 0.00 H new ATOM 0 HA SER A 83 -4.682 -0.921 -0.938 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.857 0.017 0.506 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.458 1.123 -0.713 1.00 0.00 H new ATOM 0 HG SER A 83 -4.594 2.258 0.843 1.00 0.00 H new ATOM 1306 N PHE A 84 -4.761 -2.547 0.914 1.00 0.00 N ATOM 1307 CA PHE A 84 -4.915 -3.598 1.927 1.00 0.00 C ATOM 1308 C PHE A 84 -4.897 -3.055 3.353 1.00 0.00 C ATOM 1309 O PHE A 84 -4.058 -2.226 3.711 1.00 0.00 O ATOM 1310 CB PHE A 84 -3.815 -4.651 1.765 1.00 0.00 C ATOM 1311 CG PHE A 84 -3.754 -5.639 2.897 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -4.638 -6.702 2.951 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -2.817 -5.497 3.908 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -4.587 -7.611 3.992 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -2.762 -6.401 4.953 1.00 0.00 C ATOM 1316 CZ PHE A 84 -3.649 -7.459 4.995 1.00 0.00 C ATOM 0 H PHE A 84 -4.351 -2.876 0.040 1.00 0.00 H new ATOM 0 HA PHE A 84 -5.894 -4.049 1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.975 -5.191 0.832 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.852 -4.148 1.681 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -5.376 -6.823 2.172 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.122 -4.671 3.879 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.280 -8.439 4.021 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.027 -6.280 5.735 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.609 -8.166 5.810 1.00 0.00 H new ATOM 1326 N GLY A 85 -5.834 -3.544 4.164 1.00 0.00 N ATOM 1327 CA GLY A 85 -5.924 -3.120 5.550 1.00 0.00 C ATOM 1328 C GLY A 85 -6.672 -1.814 5.722 1.00 0.00 C ATOM 1329 O GLY A 85 -6.152 -0.875 6.326 1.00 0.00 O ATOM 0 H GLY A 85 -6.535 -4.230 3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.422 -3.897 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.919 -3.013 5.957 1.00 0.00 H new ATOM 1333 N SER A 86 -7.895 -1.750 5.200 1.00 0.00 N ATOM 1334 CA SER A 86 -8.698 -0.537 5.311 1.00 0.00 C ATOM 1335 C SER A 86 -10.182 -0.819 5.095 1.00 0.00 C ATOM 1336 O SER A 86 -10.559 -1.726 4.354 1.00 0.00 O ATOM 1337 CB SER A 86 -8.227 0.512 4.304 1.00 0.00 C ATOM 1338 OG SER A 86 -6.857 0.821 4.485 1.00 0.00 O ATOM 0 H SER A 86 -8.347 -2.516 4.701 1.00 0.00 H new ATOM 0 HA SER A 86 -8.566 -0.156 6.324 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.388 0.144 3.291 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.824 1.418 4.413 1.00 0.00 H new ATOM 0 HG SER A 86 -6.574 0.541 5.381 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.012 -0.022 5.757 1.00 0.00 N ATOM 1345 CA GLN A 87 -12.456 -0.171 5.623 1.00 0.00 C ATOM 1346 C GLN A 87 -13.071 1.096 5.057 1.00 0.00 C ATOM 1347 O GLN A 87 -12.668 2.209 5.394 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.134 -0.553 6.939 1.00 0.00 C ATOM 1349 CG GLN A 87 -12.565 0.135 8.154 1.00 0.00 C ATOM 1350 CD GLN A 87 -12.795 1.634 8.159 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -11.975 2.397 8.671 1.00 0.00 O ATOM 1352 NE2 GLN A 87 -13.919 2.063 7.600 1.00 0.00 N ATOM 0 H GLN A 87 -10.715 0.725 6.385 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.626 -0.994 4.929 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.196 -0.319 6.868 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.053 -1.631 7.076 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.012 -0.297 9.050 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.494 -0.061 8.206 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.570 1.395 7.187 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.132 3.060 7.583 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.034 0.909 4.174 1.00 0.00 N ATOM 1362 CA ILE A 88 -14.711 2.026 3.535 1.00 0.00 C ATOM 1363 C ILE A 88 -16.213 1.964 3.776 1.00 0.00 C ATOM 1364 O ILE A 88 -16.953 1.316 3.036 1.00 0.00 O ATOM 1365 CB ILE A 88 -14.419 2.072 2.020 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -14.785 0.747 1.346 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -12.952 2.395 1.786 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -14.837 0.837 -0.164 1.00 0.00 C ATOM 0 H ILE A 88 -14.367 -0.009 3.881 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.322 2.939 3.985 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.034 2.855 1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.057 -0.012 1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -15.755 0.415 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.753 2.426 0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.718 3.364 2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.332 1.627 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.102 -0.136 -0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.585 1.572 -0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -13.861 1.140 -0.544 1.00 0.00 H new ATOM 1380 N GLU A 89 -16.656 2.635 4.833 1.00 0.00 N ATOM 1381 CA GLU A 89 -18.066 2.656 5.181 1.00 0.00 C ATOM 1382 C GLU A 89 -18.894 3.171 4.016 1.00 0.00 C ATOM 1383 O GLU A 89 -18.413 3.955 3.197 1.00 0.00 O ATOM 1384 CB GLU A 89 -18.308 3.536 6.408 1.00 0.00 C ATOM 1385 CG GLU A 89 -17.069 3.764 7.253 1.00 0.00 C ATOM 1386 CD GLU A 89 -17.310 4.731 8.395 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -17.556 5.924 8.120 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -17.256 4.295 9.564 1.00 0.00 O ATOM 0 H GLU A 89 -16.057 3.170 5.462 1.00 0.00 H new ATOM 0 HA GLU A 89 -18.369 1.635 5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.696 4.501 6.081 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -19.079 3.076 7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.728 2.810 7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.268 4.147 6.621 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.137 2.726 3.943 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.033 3.148 2.879 1.00 0.00 C ATOM 1397 C PHE A 90 -22.185 3.967 3.452 1.00 0.00 C ATOM 1398 O PHE A 90 -22.265 4.175 4.663 1.00 0.00 O ATOM 1399 CB PHE A 90 -21.568 1.933 2.118 1.00 0.00 C ATOM 1400 CG PHE A 90 -20.495 0.972 1.676 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.095 -0.065 2.506 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -19.895 1.098 0.429 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.116 -0.955 2.103 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -18.918 0.208 0.022 1.00 0.00 C ATOM 1405 CZ PHE A 90 -18.529 -0.818 0.860 1.00 0.00 C ATOM 0 H PHE A 90 -20.549 2.072 4.608 1.00 0.00 H new ATOM 0 HA PHE A 90 -20.475 3.773 2.182 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.279 1.403 2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.117 2.278 1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.553 -0.179 3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -20.195 1.900 -0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -18.811 -1.756 2.760 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -18.460 0.315 -0.950 1.00 0.00 H new ATOM 0 HZ PHE A 90 -17.766 -1.514 0.544 1.00 0.00 H new ATOM 1415 N SER A 91 -23.076 4.433 2.583 1.00 0.00 N ATOM 1416 CA SER A 91 -24.209 5.232 3.042 1.00 0.00 C ATOM 1417 C SER A 91 -25.326 5.304 2.010 1.00 0.00 C ATOM 1418 O SER A 91 -25.139 5.811 0.907 1.00 0.00 O ATOM 1419 CB SER A 91 -23.755 6.643 3.412 1.00 0.00 C ATOM 1420 OG SER A 91 -23.018 7.234 2.358 1.00 0.00 O ATOM 0 H SER A 91 -23.039 4.276 1.576 1.00 0.00 H new ATOM 0 HA SER A 91 -24.608 4.733 3.925 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.624 7.259 3.642 1.00 0.00 H new ATOM 0 HB3 SER A 91 -23.142 6.607 4.313 1.00 0.00 H new ATOM 0 HG SER A 91 -23.603 7.829 1.843 1.00 0.00 H new ATOM 1426 N CYS A 92 -26.490 4.794 2.393 1.00 0.00 N ATOM 1427 CA CYS A 92 -27.644 4.824 1.508 1.00 0.00 C ATOM 1428 C CYS A 92 -28.412 6.125 1.716 1.00 0.00 C ATOM 1429 O CYS A 92 -28.896 6.406 2.812 1.00 0.00 O ATOM 1430 CB CYS A 92 -28.544 3.613 1.749 1.00 0.00 C ATOM 1431 SG CYS A 92 -29.738 3.318 0.420 1.00 0.00 S ATOM 0 H CYS A 92 -26.658 4.360 3.300 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.301 4.778 0.474 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -27.921 2.727 1.869 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -29.083 3.753 2.686 1.00 0.00 H new ATOM 1436 N SER A 93 -28.508 6.917 0.650 1.00 0.00 N ATOM 1437 CA SER A 93 -29.191 8.209 0.704 1.00 0.00 C ATOM 1438 C SER A 93 -30.565 8.119 1.363 1.00 0.00 C ATOM 1439 O SER A 93 -31.102 7.031 1.575 1.00 0.00 O ATOM 1440 CB SER A 93 -29.340 8.789 -0.701 1.00 0.00 C ATOM 1441 OG SER A 93 -29.654 7.775 -1.640 1.00 0.00 O ATOM 0 H SER A 93 -28.120 6.686 -0.265 1.00 0.00 H new ATOM 0 HA SER A 93 -28.572 8.865 1.316 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.123 9.547 -0.704 1.00 0.00 H new ATOM 0 HB3 SER A 93 -28.415 9.286 -0.993 1.00 0.00 H new ATOM 0 HG SER A 93 -30.614 7.580 -1.602 1.00 0.00 H new ATOM 1447 N GLU A 94 -31.120 9.287 1.672 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.432 9.393 2.301 1.00 0.00 C ATOM 1449 C GLU A 94 -33.462 8.513 1.596 1.00 0.00 C ATOM 1450 O GLU A 94 -33.347 8.225 0.405 1.00 0.00 O ATOM 1451 CB GLU A 94 -32.889 10.854 2.289 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.371 11.038 2.565 1.00 0.00 C ATOM 1453 CD GLU A 94 -34.754 12.491 2.765 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -34.965 13.194 1.755 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -34.840 12.926 3.933 1.00 0.00 O ATOM 0 H GLU A 94 -30.673 10.186 1.493 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.348 9.044 3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.319 11.409 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -32.653 11.290 1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -34.945 10.627 1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.644 10.469 3.454 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.471 8.095 2.357 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.527 7.261 1.813 1.00 0.00 C ATOM 1464 C GLY A 95 -35.117 5.812 1.652 1.00 0.00 C ATOM 1465 O GLY A 95 -35.928 4.912 1.857 1.00 0.00 O ATOM 0 H GLY A 95 -34.575 8.321 3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -36.398 7.315 2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -35.831 7.656 0.844 1.00 0.00 H new ATOM 1469 N PHE A 96 -33.863 5.574 1.288 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.388 4.210 1.093 1.00 0.00 C ATOM 1471 C PHE A 96 -32.397 3.846 2.187 1.00 0.00 C ATOM 1472 O PHE A 96 -31.547 4.653 2.560 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.721 4.048 -0.273 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.076 5.118 -1.258 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.361 5.221 -1.763 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -32.116 6.022 -1.675 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -34.684 6.211 -2.670 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -32.433 7.015 -2.583 1.00 0.00 C ATOM 1479 CZ PHE A 96 -33.719 7.110 -3.081 1.00 0.00 C ATOM 0 H PHE A 96 -33.164 6.298 1.123 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.249 3.543 1.138 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.639 4.038 -0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -33.000 3.080 -0.689 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -35.118 4.520 -1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -31.110 5.952 -1.288 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -35.690 6.282 -3.057 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -31.676 7.716 -2.903 1.00 0.00 H new ATOM 0 HZ PHE A 96 -33.969 7.885 -3.790 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.509 2.630 2.702 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.618 2.176 3.757 1.00 0.00 C ATOM 1491 C PHE A 97 -30.486 1.329 3.191 1.00 0.00 C ATOM 1492 O PHE A 97 -30.544 0.842 2.063 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.401 1.409 4.830 1.00 0.00 C ATOM 1494 CG PHE A 97 -32.977 0.099 4.373 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -33.984 0.060 3.422 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.521 -1.095 4.910 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -34.523 -1.144 3.012 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.059 -2.301 4.506 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.061 -2.326 3.556 1.00 0.00 C ATOM 0 H PHE A 97 -33.204 1.944 2.408 1.00 0.00 H new ATOM 0 HA PHE A 97 -31.170 3.052 4.226 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -31.742 1.224 5.678 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -33.213 2.041 5.189 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.352 0.982 2.996 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -31.737 -1.082 5.652 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -35.305 -1.161 2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -32.696 -3.224 4.933 1.00 0.00 H new ATOM 0 HZ PHE A 97 -34.483 -3.268 3.239 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.460 1.171 4.014 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.286 0.399 3.633 1.00 0.00 C ATOM 1511 C LEU A 98 -28.490 -1.081 3.918 1.00 0.00 C ATOM 1512 O LEU A 98 -29.080 -1.455 4.932 1.00 0.00 O ATOM 1513 CB LEU A 98 -27.055 0.908 4.380 1.00 0.00 C ATOM 1514 CG LEU A 98 -25.731 0.292 3.930 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -24.595 1.273 4.147 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -25.465 -1.009 4.673 1.00 0.00 C ATOM 0 H LEU A 98 -29.417 1.568 4.952 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.132 0.524 2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -26.996 1.990 4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -27.187 0.713 5.444 1.00 0.00 H new ATOM 0 HG LEU A 98 -25.797 0.068 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -23.657 0.822 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -24.781 2.179 3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -24.529 1.525 5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -24.518 -1.432 4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -25.417 -0.813 5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -26.270 -1.715 4.469 1.00 0.00 H new ATOM 1528 N ILE A 99 -27.997 -1.919 3.013 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.088 -3.371 3.134 1.00 0.00 C ATOM 1530 C ILE A 99 -26.988 -4.003 2.303 1.00 0.00 C ATOM 1531 O ILE A 99 -27.170 -4.350 1.137 1.00 0.00 O ATOM 1532 CB ILE A 99 -29.439 -3.904 2.616 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -30.438 -2.759 2.470 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -29.983 -4.976 3.547 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -31.567 -3.039 1.501 1.00 0.00 C ATOM 0 H ILE A 99 -27.519 -1.608 2.167 1.00 0.00 H new ATOM 0 HA ILE A 99 -27.991 -3.625 4.190 1.00 0.00 H new ATOM 0 HB ILE A 99 -29.283 -4.353 1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -30.862 -2.535 3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -29.905 -1.867 2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -30.937 -5.340 3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -29.275 -5.803 3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -30.128 -4.555 4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.231 -2.176 1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -31.156 -3.233 0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -32.128 -3.911 1.838 1.00 0.00 H new ATOM 1547 N GLY A 100 -25.837 -4.139 2.948 1.00 0.00 N ATOM 1548 CA GLY A 100 -24.668 -4.714 2.315 1.00 0.00 C ATOM 1549 C GLY A 100 -23.412 -4.482 3.128 1.00 0.00 C ATOM 1550 O GLY A 100 -22.360 -4.156 2.580 1.00 0.00 O ATOM 0 H GLY A 100 -25.692 -3.855 3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -24.819 -5.785 2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -24.543 -4.281 1.323 1.00 0.00 H new ATOM 1554 N SER A 101 -23.530 -4.651 4.440 1.00 0.00 N ATOM 1555 CA SER A 101 -22.407 -4.451 5.353 1.00 0.00 C ATOM 1556 C SER A 101 -21.869 -3.028 5.239 1.00 0.00 C ATOM 1557 O SER A 101 -21.241 -2.669 4.243 1.00 0.00 O ATOM 1558 CB SER A 101 -21.300 -5.461 5.060 1.00 0.00 C ATOM 1559 OG SER A 101 -21.672 -6.762 5.478 1.00 0.00 O ATOM 0 H SER A 101 -24.398 -4.928 4.899 1.00 0.00 H new ATOM 0 HA SER A 101 -22.760 -4.605 6.373 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.083 -5.467 3.992 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.385 -5.160 5.570 1.00 0.00 H new ATOM 0 HG SER A 101 -20.947 -7.390 5.278 1.00 0.00 H new ATOM 1565 N THR A 102 -22.109 -2.222 6.268 1.00 0.00 N ATOM 1566 CA THR A 102 -21.664 -0.834 6.271 1.00 0.00 C ATOM 1567 C THR A 102 -20.149 -0.725 6.279 1.00 0.00 C ATOM 1568 O THR A 102 -19.603 0.374 6.209 1.00 0.00 O ATOM 1569 CB THR A 102 -22.230 -0.060 7.476 1.00 0.00 C ATOM 1570 OG1 THR A 102 -21.786 -0.663 8.697 1.00 0.00 O ATOM 1571 CG2 THR A 102 -23.751 -0.038 7.443 1.00 0.00 C ATOM 0 H THR A 102 -22.609 -2.506 7.110 1.00 0.00 H new ATOM 0 HA THR A 102 -22.044 -0.391 5.350 1.00 0.00 H new ATOM 0 HB THR A 102 -21.866 0.966 7.422 1.00 0.00 H new ATOM 0 HG1 THR A 102 -22.148 -0.164 9.459 1.00 0.00 H new ATOM 0 HG21 THR A 102 -24.126 0.515 8.305 1.00 0.00 H new ATOM 0 HG22 THR A 102 -24.088 0.447 6.527 1.00 0.00 H new ATOM 0 HG23 THR A 102 -24.130 -1.059 7.474 1.00 0.00 H new ATOM 1579 N THR A 103 -19.468 -1.855 6.368 1.00 0.00 N ATOM 1580 CA THR A 103 -18.019 -1.851 6.357 1.00 0.00 C ATOM 1581 C THR A 103 -17.491 -2.655 5.181 1.00 0.00 C ATOM 1582 O THR A 103 -18.204 -3.488 4.620 1.00 0.00 O ATOM 1583 CB THR A 103 -17.445 -2.398 7.664 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.017 -3.676 7.965 1.00 0.00 O ATOM 1585 CG2 THR A 103 -17.710 -1.428 8.803 1.00 0.00 C ATOM 0 H THR A 103 -19.893 -2.779 6.448 1.00 0.00 H new ATOM 0 HA THR A 103 -17.697 -0.815 6.254 1.00 0.00 H new ATOM 0 HB THR A 103 -16.368 -2.516 7.545 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.639 -4.014 8.803 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.296 -1.830 9.727 1.00 0.00 H new ATOM 0 HG22 THR A 103 -17.240 -0.470 8.582 1.00 0.00 H new ATOM 0 HG23 THR A 103 -18.785 -1.287 8.918 1.00 0.00 H new ATOM 1593 N SER A 104 -16.240 -2.408 4.807 1.00 0.00 N ATOM 1594 CA SER A 104 -15.609 -3.132 3.714 1.00 0.00 C ATOM 1595 C SER A 104 -14.120 -3.237 4.004 1.00 0.00 C ATOM 1596 O SER A 104 -13.405 -2.244 3.943 1.00 0.00 O ATOM 1597 CB SER A 104 -15.845 -2.419 2.378 1.00 0.00 C ATOM 1598 OG SER A 104 -15.347 -3.185 1.297 1.00 0.00 O ATOM 0 H SER A 104 -15.643 -1.709 5.248 1.00 0.00 H new ATOM 0 HA SER A 104 -16.045 -4.128 3.636 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.912 -2.241 2.241 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.358 -1.444 2.392 1.00 0.00 H new ATOM 0 HG SER A 104 -14.451 -2.868 1.057 1.00 0.00 H new ATOM 1604 N ARG A 105 -13.644 -4.444 4.287 1.00 0.00 N ATOM 1605 CA ARG A 105 -12.241 -4.650 4.634 1.00 0.00 C ATOM 1606 C ARG A 105 -11.420 -5.147 3.455 1.00 0.00 C ATOM 1607 O ARG A 105 -11.865 -5.987 2.675 1.00 0.00 O ATOM 1608 CB ARG A 105 -12.128 -5.635 5.797 1.00 0.00 C ATOM 1609 CG ARG A 105 -12.918 -5.217 7.026 1.00 0.00 C ATOM 1610 CD ARG A 105 -12.611 -6.107 8.217 1.00 0.00 C ATOM 1611 NE ARG A 105 -13.376 -5.720 9.400 1.00 0.00 N ATOM 1612 CZ ARG A 105 -13.852 -6.588 10.287 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -13.648 -7.888 10.125 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -14.535 -6.155 11.338 1.00 0.00 N ATOM 0 H ARG A 105 -14.207 -5.294 4.283 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.836 -3.682 4.928 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.475 -6.614 5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.078 -5.744 6.070 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.684 -4.182 7.275 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.985 -5.259 6.805 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.835 -7.143 7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -11.546 -6.057 8.442 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.555 -4.728 9.554 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.124 -8.225 9.317 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -14.015 -8.551 10.808 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.695 -5.156 11.466 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.900 -6.821 12.019 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.206 -4.619 3.349 1.00 0.00 N ATOM 1629 CA CYS A 106 -9.293 -4.995 2.285 1.00 0.00 C ATOM 1630 C CYS A 106 -8.372 -6.106 2.757 1.00 0.00 C ATOM 1631 O CYS A 106 -7.575 -5.922 3.677 1.00 0.00 O ATOM 1632 CB CYS A 106 -8.469 -3.789 1.830 1.00 0.00 C ATOM 1633 SG CYS A 106 -8.995 -3.086 0.233 1.00 0.00 S ATOM 0 H CYS A 106 -9.832 -3.924 3.995 1.00 0.00 H new ATOM 0 HA CYS A 106 -9.879 -5.353 1.438 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -8.529 -3.013 2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -7.422 -4.085 1.757 1.00 0.00 H new ATOM 1638 N GLU A 107 -8.492 -7.259 2.124 1.00 0.00 N ATOM 1639 CA GLU A 107 -7.696 -8.418 2.487 1.00 0.00 C ATOM 1640 C GLU A 107 -6.867 -8.876 1.296 1.00 0.00 C ATOM 1641 O GLU A 107 -6.751 -8.150 0.311 1.00 0.00 O ATOM 1642 CB GLU A 107 -8.627 -9.535 2.958 1.00 0.00 C ATOM 1643 CG GLU A 107 -8.011 -10.465 3.990 1.00 0.00 C ATOM 1644 CD GLU A 107 -7.720 -9.768 5.304 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -8.668 -9.574 6.095 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -6.546 -9.418 5.545 1.00 0.00 O ATOM 0 H GLU A 107 -9.138 -7.418 1.351 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.013 -8.157 3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.528 -9.089 3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.937 -10.123 2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.687 -11.302 4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.086 -10.882 3.592 1.00 0.00 H new ATOM 1653 N VAL A 108 -6.247 -10.048 1.406 1.00 0.00 N ATOM 1654 CA VAL A 108 -5.450 -10.581 0.308 1.00 0.00 C ATOM 1655 C VAL A 108 -5.669 -12.073 0.087 1.00 0.00 C ATOM 1656 O VAL A 108 -5.620 -12.876 1.018 1.00 0.00 O ATOM 1657 CB VAL A 108 -3.949 -10.318 0.501 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -3.150 -10.969 -0.627 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -3.685 -8.828 0.555 1.00 0.00 C ATOM 0 H VAL A 108 -6.281 -10.640 2.236 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.796 -10.048 -0.577 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.630 -10.759 1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.088 -10.775 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.327 -12.045 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.465 -10.552 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.618 -8.652 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.012 -8.367 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.235 -8.391 1.389 1.00 0.00 H new ATOM 1669 N GLN A 109 -5.909 -12.416 -1.174 1.00 0.00 N ATOM 1670 CA GLN A 109 -6.118 -13.808 -1.552 1.00 0.00 C ATOM 1671 C GLN A 109 -5.832 -14.042 -3.032 1.00 0.00 C ATOM 1672 O GLN A 109 -6.649 -13.710 -3.891 1.00 0.00 O ATOM 1673 CB GLN A 109 -7.549 -14.232 -1.215 1.00 0.00 C ATOM 1674 CG GLN A 109 -8.600 -13.199 -1.597 1.00 0.00 C ATOM 1675 CD GLN A 109 -9.985 -13.564 -1.095 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -10.323 -14.742 -0.976 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -10.793 -12.553 -0.791 1.00 0.00 N ATOM 0 H GLN A 109 -5.963 -11.753 -1.947 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.416 -14.417 -0.982 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -7.771 -15.169 -1.726 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -7.618 -14.429 -0.145 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.315 -12.228 -1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -8.626 -13.096 -2.682 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.472 -11.592 -0.905 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.734 -12.739 -0.444 1.00 0.00 H new ATOM 1686 N ASP A 110 -4.663 -14.620 -3.310 1.00 0.00 N ATOM 1687 CA ASP A 110 -4.241 -14.935 -4.673 1.00 0.00 C ATOM 1688 C ASP A 110 -3.913 -13.686 -5.490 1.00 0.00 C ATOM 1689 O ASP A 110 -2.770 -13.488 -5.900 1.00 0.00 O ATOM 1690 CB ASP A 110 -5.316 -15.760 -5.379 1.00 0.00 C ATOM 1691 CG ASP A 110 -5.309 -17.212 -4.941 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -5.827 -17.503 -3.842 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -4.787 -18.058 -5.697 1.00 0.00 O ATOM 0 H ASP A 110 -3.983 -14.882 -2.596 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.323 -15.517 -4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -6.295 -15.326 -5.176 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -5.162 -15.707 -6.457 1.00 0.00 H new ATOM 1698 N ARG A 111 -4.916 -12.855 -5.725 1.00 0.00 N ATOM 1699 CA ARG A 111 -4.746 -11.641 -6.510 1.00 0.00 C ATOM 1700 C ARG A 111 -4.005 -10.546 -5.755 1.00 0.00 C ATOM 1701 O ARG A 111 -4.251 -9.359 -5.976 1.00 0.00 O ATOM 1702 CB ARG A 111 -6.108 -11.126 -6.972 1.00 0.00 C ATOM 1703 CG ARG A 111 -6.593 -11.758 -8.265 1.00 0.00 C ATOM 1704 CD ARG A 111 -7.830 -11.054 -8.798 1.00 0.00 C ATOM 1705 NE ARG A 111 -8.216 -11.549 -10.116 1.00 0.00 N ATOM 1706 CZ ARG A 111 -9.226 -11.054 -10.824 1.00 0.00 C ATOM 1707 NH1 ARG A 111 -9.954 -10.056 -10.341 1.00 0.00 N ATOM 1708 NH2 ARG A 111 -9.507 -11.556 -12.019 1.00 0.00 N ATOM 0 H ARG A 111 -5.865 -13.001 -5.380 1.00 0.00 H new ATOM 0 HA ARG A 111 -4.132 -11.903 -7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -6.842 -11.313 -6.189 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.052 -10.046 -7.105 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -5.800 -11.717 -9.011 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -6.817 -12.811 -8.095 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -8.656 -11.196 -8.101 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.641 -9.982 -8.854 1.00 0.00 H new ATOM 0 HE ARG A 111 -7.680 -12.319 -10.516 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -9.739 -9.666 -9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -10.728 -9.679 -10.887 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -8.948 -12.322 -12.395 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -10.282 -11.176 -12.562 1.00 0.00 H new ATOM 1722 N GLY A 112 -3.090 -10.939 -4.881 1.00 0.00 N ATOM 1723 CA GLY A 112 -2.333 -9.962 -4.124 1.00 0.00 C ATOM 1724 C GLY A 112 -3.189 -9.198 -3.137 1.00 0.00 C ATOM 1725 O GLY A 112 -2.670 -8.587 -2.207 1.00 0.00 O ATOM 0 H GLY A 112 -2.858 -11.912 -4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.530 -10.467 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -1.864 -9.259 -4.812 1.00 0.00 H new ATOM 1729 N VAL A 113 -4.503 -9.226 -3.343 1.00 0.00 N ATOM 1730 CA VAL A 113 -5.438 -8.539 -2.456 1.00 0.00 C ATOM 1731 C VAL A 113 -6.871 -8.929 -2.786 1.00 0.00 C ATOM 1732 O VAL A 113 -7.266 -8.929 -3.952 1.00 0.00 O ATOM 1733 CB VAL A 113 -5.320 -7.006 -2.555 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -4.804 -6.415 -1.255 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -4.428 -6.623 -3.716 1.00 0.00 C ATOM 0 H VAL A 113 -4.946 -9.719 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.181 -8.845 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.314 -6.595 -2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.730 -5.332 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.491 -6.661 -0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.820 -6.827 -1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.353 -5.537 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.435 -7.048 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.852 -7.008 -4.643 1.00 0.00 H new ATOM 1745 N GLY A 114 -7.646 -9.258 -1.767 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.016 -9.629 -2.018 1.00 0.00 C ATOM 1747 C GLY A 114 -9.986 -8.705 -1.307 1.00 0.00 C ATOM 1748 O GLY A 114 -9.721 -8.291 -0.179 1.00 0.00 O ATOM 0 H GLY A 114 -7.357 -9.275 -0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.209 -9.604 -3.090 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.182 -10.655 -1.688 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.106 -8.375 -1.939 1.00 0.00 N ATOM 1753 CA TRP A 115 -12.095 -7.504 -1.316 1.00 0.00 C ATOM 1754 C TRP A 115 -12.981 -8.310 -0.372 1.00 0.00 C ATOM 1755 O TRP A 115 -13.067 -9.533 -0.484 1.00 0.00 O ATOM 1756 CB TRP A 115 -12.965 -6.805 -2.368 1.00 0.00 C ATOM 1757 CG TRP A 115 -12.834 -5.306 -2.385 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -12.857 -4.506 -3.491 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -12.666 -4.425 -1.261 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.718 -3.189 -3.126 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -12.598 -3.113 -1.766 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -12.568 -4.613 0.121 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -12.437 -2.001 -0.943 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -12.407 -3.508 0.936 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -12.344 -2.216 0.402 1.00 0.00 C ATOM 0 H TRP A 115 -11.351 -8.695 -2.876 1.00 0.00 H new ATOM 0 HA TRP A 115 -11.559 -6.740 -0.753 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -12.704 -7.192 -3.353 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.009 -7.065 -2.190 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -12.968 -4.858 -4.506 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.706 -2.395 -3.767 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -12.617 -5.605 0.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.387 -1.004 -1.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -12.328 -3.644 2.004 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -12.220 -1.373 1.066 1.00 0.00 H new ATOM 1776 N SER A 116 -13.636 -7.623 0.556 1.00 0.00 N ATOM 1777 CA SER A 116 -14.517 -8.283 1.511 1.00 0.00 C ATOM 1778 C SER A 116 -15.967 -8.215 1.040 1.00 0.00 C ATOM 1779 O SER A 116 -16.731 -9.166 1.209 1.00 0.00 O ATOM 1780 CB SER A 116 -14.387 -7.635 2.891 1.00 0.00 C ATOM 1781 OG SER A 116 -15.299 -8.206 3.812 1.00 0.00 O ATOM 0 H SER A 116 -13.574 -6.611 0.667 1.00 0.00 H new ATOM 0 HA SER A 116 -14.221 -9.330 1.582 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.369 -7.759 3.259 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.569 -6.563 2.811 1.00 0.00 H new ATOM 0 HG SER A 116 -15.194 -7.775 4.686 1.00 0.00 H new ATOM 1787 N HIS A 117 -16.335 -7.082 0.445 1.00 0.00 N ATOM 1788 CA HIS A 117 -17.691 -6.874 -0.056 1.00 0.00 C ATOM 1789 C HIS A 117 -17.797 -5.534 -0.780 1.00 0.00 C ATOM 1790 O HIS A 117 -17.230 -4.537 -0.333 1.00 0.00 O ATOM 1791 CB HIS A 117 -18.694 -6.914 1.098 1.00 0.00 C ATOM 1792 CG HIS A 117 -20.123 -6.919 0.651 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -20.753 -8.040 0.156 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -21.045 -5.928 0.622 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -22.000 -7.739 -0.160 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -22.202 -6.463 0.114 1.00 0.00 N ATOM 0 H HIS A 117 -15.709 -6.290 0.298 1.00 0.00 H new ATOM 0 HA HIS A 117 -17.920 -7.674 -0.760 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -18.507 -7.803 1.700 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -18.527 -6.052 1.743 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -20.897 -4.906 0.940 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -22.730 -8.420 -0.572 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -23.076 -5.957 -0.029 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.525 -5.489 -1.912 1.00 0.00 N ATOM 1806 CA PRO A 118 -18.696 -4.264 -2.685 1.00 0.00 C ATOM 1807 C PRO A 118 -19.857 -3.410 -2.176 1.00 0.00 C ATOM 1808 O PRO A 118 -20.213 -3.469 -0.999 1.00 0.00 O ATOM 1809 CB PRO A 118 -18.993 -4.799 -4.081 1.00 0.00 C ATOM 1810 CG PRO A 118 -19.757 -6.054 -3.832 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.233 -6.625 -2.535 1.00 0.00 C ATOM 0 HA PRO A 118 -17.827 -3.608 -2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.575 -4.087 -4.666 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.076 -4.994 -4.637 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.826 -5.850 -3.763 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.620 -6.761 -4.650 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.042 -6.988 -1.902 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -18.563 -7.467 -2.710 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.439 -2.616 -3.070 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.552 -1.747 -2.727 1.00 0.00 C ATOM 1821 C LEU A 119 -22.744 -2.532 -2.188 1.00 0.00 C ATOM 1822 O LEU A 119 -22.938 -3.699 -2.529 1.00 0.00 O ATOM 1823 CB LEU A 119 -21.986 -0.957 -3.960 1.00 0.00 C ATOM 1824 CG LEU A 119 -20.856 -0.333 -4.780 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -19.778 0.225 -3.867 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.277 -1.339 -5.763 1.00 0.00 C ATOM 0 H LEU A 119 -20.152 -2.559 -4.047 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.212 -1.071 -1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -22.559 -1.619 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -22.660 -0.162 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.270 0.493 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -18.983 0.665 -4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.209 0.990 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.368 -0.578 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -19.475 -0.870 -6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -19.881 -2.195 -5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.059 -1.674 -6.444 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.561 -1.887 -1.335 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.749 -2.502 -0.757 1.00 0.00 C ATOM 1840 C PRO A 120 -25.976 -2.315 -1.645 1.00 0.00 C ATOM 1841 O PRO A 120 -25.863 -1.871 -2.787 1.00 0.00 O ATOM 1842 CB PRO A 120 -24.913 -1.738 0.553 1.00 0.00 C ATOM 1843 CG PRO A 120 -24.387 -0.369 0.267 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.381 -0.504 -0.854 1.00 0.00 C ATOM 0 HA PRO A 120 -24.650 -3.580 -0.634 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -25.958 -1.703 0.862 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.357 -2.214 1.361 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -25.196 0.302 -0.021 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -23.920 0.057 1.155 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.568 0.221 -1.646 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.364 -0.334 -0.500 1.00 0.00 H new ATOM 1852 N GLN A 121 -27.144 -2.658 -1.115 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.392 -2.527 -1.859 1.00 0.00 C ATOM 1854 C GLN A 121 -29.229 -1.373 -1.319 1.00 0.00 C ATOM 1855 O GLN A 121 -29.571 -1.346 -0.137 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.193 -3.826 -1.776 1.00 0.00 C ATOM 1857 CG GLN A 121 -30.125 -4.042 -2.957 1.00 0.00 C ATOM 1858 CD GLN A 121 -31.040 -5.235 -2.769 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -32.145 -5.108 -2.244 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -30.582 -6.406 -3.197 1.00 0.00 N ATOM 0 H GLN A 121 -27.254 -3.030 -0.171 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.145 -2.320 -2.900 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.501 -4.666 -1.711 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.779 -3.824 -0.857 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -30.728 -3.147 -3.107 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -29.533 -4.182 -3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -29.659 -6.466 -3.627 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -31.153 -7.245 -3.096 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.556 -0.420 -2.186 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.354 0.724 -1.768 1.00 0.00 C ATOM 1871 C CYS A 122 -31.804 0.593 -2.218 1.00 0.00 C ATOM 1872 O CYS A 122 -32.100 0.626 -3.413 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.752 2.016 -2.310 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.580 2.798 -1.164 1.00 0.00 S ATOM 0 H CYS A 122 -29.285 -0.417 -3.169 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.344 0.752 -0.678 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.244 1.805 -3.251 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.556 2.718 -2.532 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.707 0.445 -1.251 1.00 0.00 N ATOM 1880 CA GLU A 123 -34.129 0.318 -1.535 1.00 0.00 C ATOM 1881 C GLU A 123 -34.918 1.282 -0.653 1.00 0.00 C ATOM 1882 O GLU A 123 -34.606 1.457 0.525 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.595 -1.118 -1.282 1.00 0.00 C ATOM 1884 CG GLU A 123 -36.047 -1.360 -1.654 1.00 0.00 C ATOM 1885 CD GLU A 123 -36.526 -2.748 -1.276 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -36.789 -2.979 -0.078 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -36.641 -3.602 -2.181 1.00 0.00 O ATOM 0 H GLU A 123 -32.474 0.410 -0.259 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.303 0.563 -2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -33.964 -1.801 -1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -34.454 -1.357 -0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -36.673 -0.617 -1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -36.171 -1.217 -2.727 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.940 1.906 -1.232 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.754 2.869 -0.499 1.00 0.00 C ATOM 1896 C ILE A 124 -37.573 2.182 0.592 1.00 0.00 C ATOM 1897 O ILE A 124 -38.042 1.057 0.416 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.698 3.642 -1.442 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.480 4.704 -0.664 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.647 2.684 -2.147 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -39.288 5.633 -1.545 1.00 0.00 C ATOM 0 H ILE A 124 -36.223 1.763 -2.202 1.00 0.00 H new ATOM 0 HA ILE A 124 -36.068 3.577 -0.034 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.096 4.146 -2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -39.151 4.207 0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -37.782 5.295 -0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.306 3.246 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -38.072 1.967 -2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.244 2.152 -1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -39.814 6.358 -0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -38.621 6.158 -2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -40.011 5.053 -2.118 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.741 2.870 1.719 1.00 0.00 N ATOM 1914 CA LEU A 125 -38.497 2.332 2.845 1.00 0.00 C ATOM 1915 C LEU A 125 -39.992 2.327 2.544 1.00 0.00 C ATOM 1916 O LEU A 125 -40.521 3.278 1.966 1.00 0.00 O ATOM 1917 CB LEU A 125 -38.221 3.156 4.106 1.00 0.00 C ATOM 1918 CG LEU A 125 -36.752 3.212 4.540 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -36.554 4.275 5.611 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -36.289 1.855 5.046 1.00 0.00 C ATOM 0 H LEU A 125 -37.362 3.804 1.876 1.00 0.00 H new ATOM 0 HA LEU A 125 -38.176 1.304 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -38.573 4.174 3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -38.810 2.745 4.926 1.00 0.00 H new ATOM 0 HG LEU A 125 -36.149 3.478 3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -35.506 4.302 5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -36.844 5.248 5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -37.171 4.037 6.478 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -35.244 1.917 5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -36.897 1.558 5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -36.393 1.116 4.252 1.00 0.00 H new