USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 986 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 92 GLN : amide:sc= -0.0092 K(o=0.13,f=-1.7!) USER MOD Set 1.2: A 105 SER OG : rot -83:sc= 0.137 USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0057 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 83:sc= 0.906 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.917 K(o=-0.92,f=-2) USER MOD Single : A 18 MET CE :methyl 161:sc= -4.14! (180deg=-5.29!) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.249 F(o=-1.6,f=-0.25) USER MOD Single : A 24 THR OG1 : rot 88:sc= 0.342 USER MOD Single : A 27 ASN : amide:sc= 1.04 K(o=1,f=-0.0015) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -53:sc= 0.0153 USER MOD Single : A 32 SER OG : rot -60:sc= 0.357 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 37 SER OG : rot -99:sc= -0.335 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0324 USER MOD Single : A 53 TYR OH : rot -5:sc= 0.39 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 136:sc= -1.11 (180deg=-2.87!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.24 K(o=-1.2,f=-3.3) USER MOD Single : A 72 HIS : no HD1:sc= -4.91! C(o=-4.9!,f=-6.8!) USER MOD Single : A 73 LYS NZ :NH3+ -177:sc= -0.108 (180deg=-0.117) USER MOD Single : A 74 TYR OH : rot 80:sc= -1.52 USER MOD Single : A 76 SER OG : rot 14:sc= 1.09 USER MOD Single : A 82 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0199) USER MOD Single : A 85 MET CE :methyl -109:sc= -0.692 (180deg=-3.08) USER MOD Single : A 88 CYS SG : rot 150:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.34) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN :FLIP amide:sc= -5.01! C(o=-8.2!,f=-5!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.48) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.0254 K(o=-0.025,f=-1.2) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.295 11.671 -6.783 1.00 0.00 N ATOM 2 CA GLY A 1 19.112 11.239 -6.062 1.00 0.00 C ATOM 3 C GLY A 1 18.744 12.182 -4.935 1.00 0.00 C ATOM 4 O GLY A 1 19.616 12.679 -4.221 1.00 0.00 O ATOM 0 H1 GLY A 1 20.909 10.852 -6.966 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.013 12.101 -7.687 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.812 12.371 -6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.275 11.163 -6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.281 10.242 -5.656 1.00 0.00 H new ATOM 8 N SER A 2 17.448 12.432 -4.773 1.00 0.00 N ATOM 9 CA SER A 2 16.967 13.327 -3.727 1.00 0.00 C ATOM 10 C SER A 2 17.602 12.983 -2.383 1.00 0.00 C ATOM 11 O SER A 2 18.096 11.873 -2.184 1.00 0.00 O ATOM 12 CB SER A 2 15.443 13.246 -3.619 1.00 0.00 C ATOM 13 OG SER A 2 15.021 11.924 -3.334 1.00 0.00 O ATOM 0 H SER A 2 16.713 12.027 -5.353 1.00 0.00 H new ATOM 0 HA SER A 2 17.252 14.345 -3.994 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.095 13.919 -2.836 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.991 13.582 -4.552 1.00 0.00 H new ATOM 0 HG SER A 2 14.044 11.900 -3.268 1.00 0.00 H new ATOM 19 N SER A 3 17.584 13.943 -1.464 1.00 0.00 N ATOM 20 CA SER A 3 18.161 13.745 -0.140 1.00 0.00 C ATOM 21 C SER A 3 17.082 13.802 0.937 1.00 0.00 C ATOM 22 O SER A 3 16.064 14.474 0.776 1.00 0.00 O ATOM 23 CB SER A 3 19.231 14.803 0.137 1.00 0.00 C ATOM 24 OG SER A 3 20.463 14.453 -0.469 1.00 0.00 O ATOM 0 H SER A 3 17.176 14.866 -1.612 1.00 0.00 H new ATOM 0 HA SER A 3 18.622 12.758 -0.116 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.898 15.769 -0.241 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.369 14.912 1.213 1.00 0.00 H new ATOM 0 HG SER A 3 21.130 15.146 -0.279 1.00 0.00 H new ATOM 30 N GLY A 4 17.314 13.091 2.036 1.00 0.00 N ATOM 31 CA GLY A 4 16.353 13.074 3.124 1.00 0.00 C ATOM 32 C GLY A 4 15.843 11.679 3.425 1.00 0.00 C ATOM 33 O GLY A 4 16.107 10.739 2.676 1.00 0.00 O ATOM 0 H GLY A 4 18.149 12.527 2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.815 13.490 4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.511 13.719 2.871 1.00 0.00 H new ATOM 37 N SER A 5 15.111 11.543 4.527 1.00 0.00 N ATOM 38 CA SER A 5 14.567 10.251 4.928 1.00 0.00 C ATOM 39 C SER A 5 13.068 10.350 5.190 1.00 0.00 C ATOM 40 O SER A 5 12.266 9.682 4.538 1.00 0.00 O ATOM 41 CB SER A 5 15.283 9.739 6.180 1.00 0.00 C ATOM 42 OG SER A 5 14.917 8.400 6.465 1.00 0.00 O ATOM 0 H SER A 5 14.881 12.311 5.157 1.00 0.00 H new ATOM 0 HA SER A 5 14.729 9.547 4.112 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.362 9.802 6.037 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.036 10.376 7.030 1.00 0.00 H new ATOM 0 HG SER A 5 15.389 8.096 7.268 1.00 0.00 H new ATOM 48 N SER A 6 12.696 11.190 6.151 1.00 0.00 N ATOM 49 CA SER A 6 11.293 11.376 6.504 1.00 0.00 C ATOM 50 C SER A 6 10.637 12.411 5.595 1.00 0.00 C ATOM 51 O SER A 6 11.117 13.536 5.469 1.00 0.00 O ATOM 52 CB SER A 6 11.166 11.810 7.966 1.00 0.00 C ATOM 53 OG SER A 6 11.347 10.710 8.842 1.00 0.00 O ATOM 0 H SER A 6 13.347 11.753 6.699 1.00 0.00 H new ATOM 0 HA SER A 6 10.781 10.423 6.370 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.906 12.580 8.186 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.185 12.254 8.133 1.00 0.00 H new ATOM 0 HG SER A 6 11.263 11.014 9.770 1.00 0.00 H new ATOM 59 N GLY A 7 9.534 12.020 4.964 1.00 0.00 N ATOM 60 CA GLY A 7 8.829 12.924 4.075 1.00 0.00 C ATOM 61 C GLY A 7 7.730 13.693 4.781 1.00 0.00 C ATOM 62 O GLY A 7 7.995 14.683 5.464 1.00 0.00 O ATOM 0 H GLY A 7 9.116 11.094 5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.539 13.628 3.640 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.398 12.355 3.251 1.00 0.00 H new ATOM 66 N SER A 8 6.492 13.238 4.617 1.00 0.00 N ATOM 67 CA SER A 8 5.348 13.893 5.240 1.00 0.00 C ATOM 68 C SER A 8 4.335 12.864 5.734 1.00 0.00 C ATOM 69 O SER A 8 4.161 11.795 5.148 1.00 0.00 O ATOM 70 CB SER A 8 4.679 14.849 4.251 1.00 0.00 C ATOM 71 OG SER A 8 5.257 16.141 4.320 1.00 0.00 O ATOM 0 H SER A 8 6.256 12.418 4.058 1.00 0.00 H new ATOM 0 HA SER A 8 5.709 14.462 6.096 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.777 14.457 3.239 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.612 14.912 4.467 1.00 0.00 H new ATOM 0 HG SER A 8 4.813 16.733 3.677 1.00 0.00 H new ATOM 77 N PRO A 9 3.651 13.192 6.840 1.00 0.00 N ATOM 78 CA PRO A 9 2.643 12.311 7.438 1.00 0.00 C ATOM 79 C PRO A 9 1.390 12.196 6.578 1.00 0.00 C ATOM 80 O PRO A 9 0.743 13.196 6.271 1.00 0.00 O ATOM 81 CB PRO A 9 2.318 12.996 8.768 1.00 0.00 C ATOM 82 CG PRO A 9 2.644 14.432 8.545 1.00 0.00 C ATOM 83 CD PRO A 9 3.807 14.449 7.591 1.00 0.00 C ATOM 0 HA PRO A 9 3.007 11.289 7.547 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.269 12.865 9.035 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.909 12.578 9.583 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.790 14.966 8.129 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.901 14.924 9.483 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.774 15.317 6.933 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.760 14.486 8.119 1.00 0.00 H new ATOM 91 N ASN A 10 1.053 10.969 6.193 1.00 0.00 N ATOM 92 CA ASN A 10 -0.124 10.724 5.367 1.00 0.00 C ATOM 93 C ASN A 10 -1.404 11.016 6.144 1.00 0.00 C ATOM 94 O ASN A 10 -1.471 10.853 7.363 1.00 0.00 O ATOM 95 CB ASN A 10 -0.134 9.275 4.874 1.00 0.00 C ATOM 96 CG ASN A 10 0.633 9.102 3.577 1.00 0.00 C ATOM 97 OD1 ASN A 10 0.726 10.026 2.769 1.00 0.00 O ATOM 98 ND2 ASN A 10 1.186 7.912 3.372 1.00 0.00 N ATOM 0 H ASN A 10 1.578 10.130 6.440 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.080 11.394 4.508 1.00 0.00 H new ATOM 0 HB2 ASN A 10 0.300 8.631 5.639 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.164 8.950 4.730 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.713 7.735 2.517 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.083 7.175 4.070 1.00 0.00 H new ATOM 105 N PRO A 11 -2.446 11.458 5.424 1.00 0.00 N ATOM 106 CA PRO A 11 -3.743 11.781 6.025 1.00 0.00 C ATOM 107 C PRO A 11 -4.482 10.540 6.512 1.00 0.00 C ATOM 108 O PRO A 11 -4.124 9.407 6.188 1.00 0.00 O ATOM 109 CB PRO A 11 -4.510 12.444 4.877 1.00 0.00 C ATOM 110 CG PRO A 11 -3.888 11.895 3.640 1.00 0.00 C ATOM 111 CD PRO A 11 -2.437 11.676 3.968 1.00 0.00 C ATOM 0 HA PRO A 11 -3.637 12.413 6.907 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.573 12.209 4.923 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.421 13.530 4.917 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.366 10.961 3.344 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.999 12.588 2.806 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.030 10.817 3.435 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.829 12.538 3.694 1.00 0.00 H new ATOM 119 N PRO A 12 -5.538 10.754 7.311 1.00 0.00 N ATOM 120 CA PRO A 12 -6.350 9.664 7.860 1.00 0.00 C ATOM 121 C PRO A 12 -7.178 8.962 6.789 1.00 0.00 C ATOM 122 O PRO A 12 -7.546 7.796 6.938 1.00 0.00 O ATOM 123 CB PRO A 12 -7.263 10.372 8.863 1.00 0.00 C ATOM 124 CG PRO A 12 -7.353 11.775 8.370 1.00 0.00 C ATOM 125 CD PRO A 12 -6.022 12.077 7.739 1.00 0.00 C ATOM 0 HA PRO A 12 -5.735 8.881 8.302 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.246 9.903 8.903 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.850 10.332 9.871 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.161 11.884 7.647 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.562 12.464 9.188 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.123 12.760 6.895 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.338 12.545 8.448 1.00 0.00 H new ATOM 133 N LYS A 13 -7.468 9.678 5.708 1.00 0.00 N ATOM 134 CA LYS A 13 -8.252 9.125 4.610 1.00 0.00 C ATOM 135 C LYS A 13 -7.447 8.084 3.838 1.00 0.00 C ATOM 136 O LYS A 13 -7.940 6.993 3.548 1.00 0.00 O ATOM 137 CB LYS A 13 -8.703 10.240 3.665 1.00 0.00 C ATOM 138 CG LYS A 13 -9.808 9.820 2.711 1.00 0.00 C ATOM 139 CD LYS A 13 -11.170 9.862 3.382 1.00 0.00 C ATOM 140 CE LYS A 13 -11.731 11.276 3.416 1.00 0.00 C ATOM 141 NZ LYS A 13 -13.008 11.347 4.178 1.00 0.00 N ATOM 0 H LYS A 13 -7.171 10.644 5.569 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.131 8.639 5.033 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.048 11.088 4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.846 10.583 3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.809 10.478 1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.612 8.812 2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.860 9.208 2.848 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.088 9.477 4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.000 11.946 3.869 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.896 11.626 2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.358 12.326 4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.714 10.727 3.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.846 11.037 5.157 1.00 0.00 H new ATOM 155 N LEU A 14 -6.206 8.427 3.510 1.00 0.00 N ATOM 156 CA LEU A 14 -5.332 7.521 2.772 1.00 0.00 C ATOM 157 C LEU A 14 -4.856 6.378 3.663 1.00 0.00 C ATOM 158 O LEU A 14 -5.056 5.205 3.347 1.00 0.00 O ATOM 159 CB LEU A 14 -4.129 8.284 2.215 1.00 0.00 C ATOM 160 CG LEU A 14 -3.406 7.629 1.037 1.00 0.00 C ATOM 161 CD1 LEU A 14 -2.623 8.666 0.248 1.00 0.00 C ATOM 162 CD2 LEU A 14 -2.485 6.521 1.526 1.00 0.00 C ATOM 0 H LEU A 14 -5.782 9.325 3.743 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.902 7.099 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.464 9.274 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.410 8.428 3.022 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.153 7.188 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.115 8.181 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.306 9.424 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.885 9.137 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.979 6.066 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.744 6.938 2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.071 5.764 2.046 1.00 0.00 H new ATOM 174 N THR A 15 -4.227 6.728 4.781 1.00 0.00 N ATOM 175 CA THR A 15 -3.723 5.733 5.718 1.00 0.00 C ATOM 176 C THR A 15 -4.798 4.709 6.063 1.00 0.00 C ATOM 177 O THR A 15 -4.537 3.506 6.096 1.00 0.00 O ATOM 178 CB THR A 15 -3.220 6.389 7.018 1.00 0.00 C ATOM 179 OG1 THR A 15 -2.242 7.390 6.715 1.00 0.00 O ATOM 180 CG2 THR A 15 -2.617 5.349 7.951 1.00 0.00 C ATOM 0 H THR A 15 -4.055 7.694 5.059 1.00 0.00 H new ATOM 0 HA THR A 15 -2.890 5.230 5.227 1.00 0.00 H new ATOM 0 HB THR A 15 -4.071 6.852 7.518 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.693 8.225 6.471 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.269 5.836 8.862 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.372 4.605 8.203 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.777 4.860 7.457 1.00 0.00 H new ATOM 188 N LYS A 16 -6.009 5.192 6.318 1.00 0.00 N ATOM 189 CA LYS A 16 -7.126 4.319 6.658 1.00 0.00 C ATOM 190 C LYS A 16 -7.477 3.404 5.489 1.00 0.00 C ATOM 191 O LYS A 16 -7.722 2.212 5.674 1.00 0.00 O ATOM 192 CB LYS A 16 -8.349 5.150 7.053 1.00 0.00 C ATOM 193 CG LYS A 16 -9.603 4.322 7.274 1.00 0.00 C ATOM 194 CD LYS A 16 -9.565 3.598 8.609 1.00 0.00 C ATOM 195 CE LYS A 16 -10.928 3.029 8.973 1.00 0.00 C ATOM 196 NZ LYS A 16 -11.305 1.888 8.095 1.00 0.00 N ATOM 0 H LYS A 16 -6.242 6.185 6.296 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.826 3.701 7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.123 5.702 7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.543 5.887 6.274 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.479 4.969 7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.707 3.596 6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.833 2.792 8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.237 4.286 9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.918 2.700 10.012 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.682 3.813 8.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.240 1.528 8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.339 2.208 7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.600 1.129 8.190 1.00 0.00 H new ATOM 210 N GLN A 17 -7.498 3.969 4.286 1.00 0.00 N ATOM 211 CA GLN A 17 -7.818 3.203 3.088 1.00 0.00 C ATOM 212 C GLN A 17 -6.936 1.963 2.983 1.00 0.00 C ATOM 213 O GLN A 17 -7.423 0.863 2.724 1.00 0.00 O ATOM 214 CB GLN A 17 -7.647 4.072 1.840 1.00 0.00 C ATOM 215 CG GLN A 17 -8.396 3.547 0.626 1.00 0.00 C ATOM 216 CD GLN A 17 -8.786 4.648 -0.340 1.00 0.00 C ATOM 217 OE1 GLN A 17 -8.276 5.766 -0.264 1.00 0.00 O ATOM 218 NE2 GLN A 17 -9.696 4.338 -1.256 1.00 0.00 N ATOM 0 H GLN A 17 -7.297 4.954 4.116 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.857 2.883 3.159 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.992 5.082 2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.586 4.143 1.599 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.774 2.817 0.107 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.293 3.024 0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.093 3.399 -1.283 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.998 5.039 -1.932 1.00 0.00 H new ATOM 227 N MET A 18 -5.635 2.149 3.184 1.00 0.00 N ATOM 228 CA MET A 18 -4.686 1.045 3.112 1.00 0.00 C ATOM 229 C MET A 18 -4.970 0.012 4.198 1.00 0.00 C ATOM 230 O MET A 18 -4.987 -1.190 3.935 1.00 0.00 O ATOM 231 CB MET A 18 -3.254 1.566 3.251 1.00 0.00 C ATOM 232 CG MET A 18 -2.690 2.144 1.962 1.00 0.00 C ATOM 233 SD MET A 18 -0.890 2.244 1.975 1.00 0.00 S ATOM 234 CE MET A 18 -0.649 4.012 1.820 1.00 0.00 C ATOM 0 H MET A 18 -5.215 3.053 3.398 1.00 0.00 H new ATOM 0 HA MET A 18 -4.798 0.565 2.140 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.229 2.333 4.025 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.611 0.752 3.587 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.010 1.528 1.122 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.104 3.140 1.803 1.00 0.00 H new ATOM 0 HE1 MET A 18 0.358 4.272 2.145 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.782 4.308 0.779 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.377 4.534 2.441 1.00 0.00 H new ATOM 244 N ASN A 19 -5.194 0.489 5.419 1.00 0.00 N ATOM 245 CA ASN A 19 -5.477 -0.394 6.544 1.00 0.00 C ATOM 246 C ASN A 19 -6.730 -1.224 6.283 1.00 0.00 C ATOM 247 O ASN A 19 -6.684 -2.454 6.285 1.00 0.00 O ATOM 248 CB ASN A 19 -5.650 0.421 7.828 1.00 0.00 C ATOM 249 CG ASN A 19 -4.342 1.012 8.317 1.00 0.00 C ATOM 250 OD1 ASN A 19 -4.320 2.327 8.501 1.00 0.00 O flip ATOM 251 ND2 ASN A 19 -3.364 0.296 8.528 1.00 0.00 N flip ATOM 0 H ASN A 19 -5.185 1.482 5.654 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.632 -1.072 6.663 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.365 1.224 7.652 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.071 -0.216 8.606 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.426 -0.710 8.373 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.491 0.709 8.858 1.00 0.00 H new ATOM 258 N ALA A 20 -7.848 -0.543 6.057 1.00 0.00 N ATOM 259 CA ALA A 20 -9.113 -1.216 5.791 1.00 0.00 C ATOM 260 C ALA A 20 -8.897 -2.491 4.983 1.00 0.00 C ATOM 261 O ALA A 20 -9.495 -3.528 5.271 1.00 0.00 O ATOM 262 CB ALA A 20 -10.065 -0.281 5.060 1.00 0.00 C ATOM 0 H ALA A 20 -7.903 0.475 6.053 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.557 -1.493 6.747 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.006 -0.797 4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.253 0.600 5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.619 0.025 4.114 1.00 0.00 H new ATOM 268 N ILE A 21 -8.039 -2.407 3.972 1.00 0.00 N ATOM 269 CA ILE A 21 -7.744 -3.555 3.124 1.00 0.00 C ATOM 270 C ILE A 21 -7.089 -4.677 3.924 1.00 0.00 C ATOM 271 O ILE A 21 -7.664 -5.754 4.086 1.00 0.00 O ATOM 272 CB ILE A 21 -6.820 -3.168 1.954 1.00 0.00 C ATOM 273 CG1 ILE A 21 -7.573 -2.293 0.949 1.00 0.00 C ATOM 274 CG2 ILE A 21 -6.275 -4.415 1.274 1.00 0.00 C ATOM 275 CD1 ILE A 21 -6.683 -1.314 0.215 1.00 0.00 C ATOM 0 H ILE A 21 -7.536 -1.556 3.720 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.696 -3.905 2.725 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.980 -2.596 2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.071 -2.935 0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.353 -1.740 1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.624 -4.125 0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.707 -5.004 1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.103 -5.011 0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.283 -0.727 -0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.205 -0.648 0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.919 -1.861 -0.337 1.00 0.00 H new ATOM 287 N ILE A 22 -5.886 -4.415 4.422 1.00 0.00 N ATOM 288 CA ILE A 22 -5.155 -5.402 5.208 1.00 0.00 C ATOM 289 C ILE A 22 -5.958 -5.837 6.429 1.00 0.00 C ATOM 290 O ILE A 22 -6.244 -7.022 6.606 1.00 0.00 O ATOM 291 CB ILE A 22 -3.793 -4.853 5.673 1.00 0.00 C ATOM 292 CG1 ILE A 22 -2.796 -4.852 4.513 1.00 0.00 C ATOM 293 CG2 ILE A 22 -3.259 -5.677 6.836 1.00 0.00 C ATOM 294 CD1 ILE A 22 -2.547 -6.225 3.928 1.00 0.00 C ATOM 0 H ILE A 22 -5.397 -3.529 4.296 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.990 -6.262 4.560 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.929 -3.826 6.012 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.166 -4.193 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.850 -4.436 4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.296 -5.277 7.153 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.963 -5.632 7.667 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.135 -6.713 6.521 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.830 -6.148 3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.147 -6.882 4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.484 -6.635 3.551 1.00 0.00 H new ATOM 306 N ASP A 23 -6.321 -4.872 7.267 1.00 0.00 N ATOM 307 CA ASP A 23 -7.095 -5.155 8.470 1.00 0.00 C ATOM 308 C ASP A 23 -8.069 -6.305 8.231 1.00 0.00 C ATOM 309 O ASP A 23 -8.164 -7.231 9.038 1.00 0.00 O ATOM 310 CB ASP A 23 -7.859 -3.908 8.916 1.00 0.00 C ATOM 311 CG ASP A 23 -8.709 -4.158 10.146 1.00 0.00 C ATOM 312 OD1 ASP A 23 -9.139 -5.313 10.343 1.00 0.00 O ATOM 313 OD2 ASP A 23 -8.945 -3.199 10.910 1.00 0.00 O ATOM 0 H ASP A 23 -6.092 -3.887 7.135 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.401 -5.447 9.258 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.150 -3.107 9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.497 -3.565 8.101 1.00 0.00 H new ATOM 318 N THR A 24 -8.793 -6.240 7.118 1.00 0.00 N ATOM 319 CA THR A 24 -9.762 -7.273 6.775 1.00 0.00 C ATOM 320 C THR A 24 -9.065 -8.576 6.399 1.00 0.00 C ATOM 321 O THR A 24 -9.469 -9.655 6.834 1.00 0.00 O ATOM 322 CB THR A 24 -10.664 -6.831 5.607 1.00 0.00 C ATOM 323 OG1 THR A 24 -11.465 -5.713 6.003 1.00 0.00 O ATOM 324 CG2 THR A 24 -11.564 -7.972 5.157 1.00 0.00 C ATOM 0 H THR A 24 -8.726 -5.482 6.439 1.00 0.00 H new ATOM 0 HA THR A 24 -10.379 -7.435 7.659 1.00 0.00 H new ATOM 0 HB THR A 24 -10.025 -6.542 4.772 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.973 -4.882 5.836 1.00 0.00 H new ATOM 0 HG21 THR A 24 -12.192 -7.636 4.332 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.951 -8.811 4.829 1.00 0.00 H new ATOM 0 HG23 THR A 24 -12.195 -8.287 5.988 1.00 0.00 H new ATOM 332 N VAL A 25 -8.016 -8.469 5.590 1.00 0.00 N ATOM 333 CA VAL A 25 -7.262 -9.640 5.157 1.00 0.00 C ATOM 334 C VAL A 25 -6.690 -10.397 6.350 1.00 0.00 C ATOM 335 O VAL A 25 -6.886 -11.605 6.483 1.00 0.00 O ATOM 336 CB VAL A 25 -6.111 -9.248 4.212 1.00 0.00 C ATOM 337 CG1 VAL A 25 -5.326 -10.479 3.787 1.00 0.00 C ATOM 338 CG2 VAL A 25 -6.648 -8.504 2.999 1.00 0.00 C ATOM 0 H VAL A 25 -7.669 -7.584 5.221 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.959 -10.285 4.621 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.435 -8.582 4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.517 -10.182 3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.909 -10.967 4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.989 -11.172 3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.821 -8.235 2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.346 -9.144 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.162 -7.600 3.325 1.00 0.00 H new ATOM 348 N ILE A 26 -5.983 -9.678 7.216 1.00 0.00 N ATOM 349 CA ILE A 26 -5.383 -10.282 8.399 1.00 0.00 C ATOM 350 C ILE A 26 -6.453 -10.825 9.341 1.00 0.00 C ATOM 351 O ILE A 26 -6.283 -11.884 9.944 1.00 0.00 O ATOM 352 CB ILE A 26 -4.507 -9.272 9.164 1.00 0.00 C ATOM 353 CG1 ILE A 26 -3.259 -8.928 8.349 1.00 0.00 C ATOM 354 CG2 ILE A 26 -4.120 -9.831 10.525 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.551 -7.680 8.828 1.00 0.00 C ATOM 0 H ILE A 26 -5.812 -8.677 7.120 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.757 -11.104 8.051 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.081 -8.358 9.318 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.565 -9.768 8.389 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.541 -8.798 7.304 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.501 -9.106 11.054 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.021 -10.031 11.106 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.561 -10.757 10.392 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.676 -7.496 8.205 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.229 -6.829 8.761 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.238 -7.814 9.863 1.00 0.00 H new ATOM 367 N ASN A 27 -7.556 -10.094 9.459 1.00 0.00 N ATOM 368 CA ASN A 27 -8.655 -10.503 10.327 1.00 0.00 C ATOM 369 C ASN A 27 -9.719 -11.259 9.536 1.00 0.00 C ATOM 370 O ASN A 27 -10.912 -11.147 9.818 1.00 0.00 O ATOM 371 CB ASN A 27 -9.279 -9.282 11.004 1.00 0.00 C ATOM 372 CG ASN A 27 -8.384 -8.697 12.080 1.00 0.00 C ATOM 373 OD1 ASN A 27 -8.483 -9.063 13.252 1.00 0.00 O ATOM 374 ND2 ASN A 27 -7.505 -7.784 11.687 1.00 0.00 N ATOM 0 H ASN A 27 -7.713 -9.216 8.965 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.254 -11.168 11.092 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.486 -8.520 10.253 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.236 -9.563 11.444 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.877 -7.355 12.366 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.458 -7.511 10.705 1.00 0.00 H new ATOM 381 N TYR A 28 -9.278 -12.029 8.548 1.00 0.00 N ATOM 382 CA TYR A 28 -10.192 -12.802 7.715 1.00 0.00 C ATOM 383 C TYR A 28 -10.109 -14.288 8.051 1.00 0.00 C ATOM 384 O TYR A 28 -9.091 -14.769 8.549 1.00 0.00 O ATOM 385 CB TYR A 28 -9.875 -12.584 6.235 1.00 0.00 C ATOM 386 CG TYR A 28 -10.518 -13.604 5.322 1.00 0.00 C ATOM 387 CD1 TYR A 28 -9.950 -14.859 5.141 1.00 0.00 C ATOM 388 CD2 TYR A 28 -11.693 -13.312 4.640 1.00 0.00 C ATOM 389 CE1 TYR A 28 -10.533 -15.793 4.307 1.00 0.00 C ATOM 390 CE2 TYR A 28 -12.284 -14.240 3.805 1.00 0.00 C ATOM 391 CZ TYR A 28 -11.700 -15.479 3.642 1.00 0.00 C ATOM 392 OH TYR A 28 -12.285 -16.407 2.811 1.00 0.00 O ATOM 0 H TYR A 28 -8.293 -12.135 8.304 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.206 -12.458 7.916 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.207 -11.587 5.944 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.794 -12.613 6.095 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.037 -15.108 5.661 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -12.152 -12.342 4.765 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.078 -16.764 4.176 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -13.198 -13.997 3.283 1.00 0.00 H new ATOM 0 HH TYR A 28 -13.100 -16.029 2.421 1.00 0.00 H new ATOM 402 N LYS A 29 -11.188 -15.012 7.774 1.00 0.00 N ATOM 403 CA LYS A 29 -11.240 -16.444 8.043 1.00 0.00 C ATOM 404 C LYS A 29 -11.546 -17.226 6.770 1.00 0.00 C ATOM 405 O LYS A 29 -12.424 -16.848 5.994 1.00 0.00 O ATOM 406 CB LYS A 29 -12.298 -16.746 9.106 1.00 0.00 C ATOM 407 CG LYS A 29 -12.008 -16.104 10.452 1.00 0.00 C ATOM 408 CD LYS A 29 -13.112 -16.391 11.456 1.00 0.00 C ATOM 409 CE LYS A 29 -13.215 -15.290 12.501 1.00 0.00 C ATOM 410 NZ LYS A 29 -14.189 -15.634 13.574 1.00 0.00 N ATOM 0 H LYS A 29 -12.040 -14.630 7.363 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.263 -16.754 8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.268 -16.400 8.749 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.372 -17.826 9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.059 -16.477 10.837 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.900 -15.027 10.327 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.064 -16.489 10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.919 -17.344 11.948 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.234 -15.116 12.943 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.518 -14.360 12.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.231 -14.859 14.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.131 -15.776 13.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.887 -16.508 14.050 1.00 0.00 H new ATOM 424 N ASP A 30 -10.818 -18.318 6.563 1.00 0.00 N ATOM 425 CA ASP A 30 -11.014 -19.155 5.385 1.00 0.00 C ATOM 426 C ASP A 30 -11.773 -20.429 5.743 1.00 0.00 C ATOM 427 O ASP A 30 -12.781 -20.759 5.119 1.00 0.00 O ATOM 428 CB ASP A 30 -9.666 -19.510 4.755 1.00 0.00 C ATOM 429 CG ASP A 30 -9.808 -20.451 3.575 1.00 0.00 C ATOM 430 OD1 ASP A 30 -10.775 -20.290 2.801 1.00 0.00 O ATOM 431 OD2 ASP A 30 -8.951 -21.347 3.424 1.00 0.00 O ATOM 0 H ASP A 30 -10.087 -18.644 7.195 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.606 -18.591 4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.169 -18.596 4.429 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.026 -19.970 5.508 1.00 0.00 H new ATOM 436 N SER A 31 -11.281 -21.141 6.752 1.00 0.00 N ATOM 437 CA SER A 31 -11.909 -22.381 7.191 1.00 0.00 C ATOM 438 C SER A 31 -12.944 -22.110 8.278 1.00 0.00 C ATOM 439 O SER A 31 -13.297 -23.002 9.051 1.00 0.00 O ATOM 440 CB SER A 31 -10.852 -23.358 7.708 1.00 0.00 C ATOM 441 OG SER A 31 -11.304 -24.698 7.609 1.00 0.00 O ATOM 0 H SER A 31 -10.449 -20.880 7.281 1.00 0.00 H new ATOM 0 HA SER A 31 -12.416 -22.826 6.335 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.931 -23.238 7.137 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.615 -23.127 8.746 1.00 0.00 H new ATOM 0 HG SER A 31 -12.173 -24.784 8.054 1.00 0.00 H new ATOM 447 N SER A 32 -13.427 -20.873 8.332 1.00 0.00 N ATOM 448 CA SER A 32 -14.419 -20.482 9.327 1.00 0.00 C ATOM 449 C SER A 32 -13.862 -20.638 10.739 1.00 0.00 C ATOM 450 O SER A 32 -14.492 -21.245 11.604 1.00 0.00 O ATOM 451 CB SER A 32 -15.687 -21.323 9.172 1.00 0.00 C ATOM 452 OG SER A 32 -16.720 -20.850 10.019 1.00 0.00 O ATOM 0 H SER A 32 -13.148 -20.124 7.698 1.00 0.00 H new ATOM 0 HA SER A 32 -14.665 -19.433 9.165 1.00 0.00 H new ATOM 0 HB2 SER A 32 -16.021 -21.295 8.135 1.00 0.00 H new ATOM 0 HB3 SER A 32 -15.467 -22.364 9.408 1.00 0.00 H new ATOM 0 HG SER A 32 -16.423 -20.892 10.952 1.00 0.00 H new ATOM 458 N GLY A 33 -12.675 -20.084 10.965 1.00 0.00 N ATOM 459 CA GLY A 33 -12.052 -20.171 12.273 1.00 0.00 C ATOM 460 C GLY A 33 -10.541 -20.065 12.204 1.00 0.00 C ATOM 461 O GLY A 33 -9.937 -19.246 12.896 1.00 0.00 O ATOM 0 H GLY A 33 -12.133 -19.576 10.266 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.440 -19.377 12.910 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.326 -21.117 12.740 1.00 0.00 H new ATOM 465 N ARG A 34 -9.929 -20.897 11.367 1.00 0.00 N ATOM 466 CA ARG A 34 -8.479 -20.895 11.213 1.00 0.00 C ATOM 467 C ARG A 34 -8.015 -19.655 10.453 1.00 0.00 C ATOM 468 O ARG A 34 -8.581 -19.301 9.420 1.00 0.00 O ATOM 469 CB ARG A 34 -8.021 -22.157 10.479 1.00 0.00 C ATOM 470 CG ARG A 34 -6.575 -22.100 10.013 1.00 0.00 C ATOM 471 CD ARG A 34 -6.162 -23.389 9.321 1.00 0.00 C ATOM 472 NE ARG A 34 -6.009 -24.493 10.266 1.00 0.00 N ATOM 473 CZ ARG A 34 -7.012 -25.276 10.648 1.00 0.00 C ATOM 474 NH1 ARG A 34 -8.232 -25.078 10.170 1.00 0.00 N ATOM 475 NH2 ARG A 34 -6.794 -26.260 11.512 1.00 0.00 N ATOM 0 H ARG A 34 -10.414 -21.580 10.786 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.033 -20.879 12.207 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.148 -23.016 11.137 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.666 -22.319 9.615 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.445 -21.261 9.330 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.923 -21.919 10.868 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.908 -23.654 8.572 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.222 -23.231 8.792 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.082 -24.672 10.653 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.403 -24.322 9.507 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.000 -25.681 10.466 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.856 -26.415 11.883 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.564 -26.861 11.805 1.00 0.00 H new ATOM 489 N GLN A 35 -6.982 -19.001 10.974 1.00 0.00 N ATOM 490 CA GLN A 35 -6.443 -17.800 10.345 1.00 0.00 C ATOM 491 C GLN A 35 -5.274 -18.144 9.428 1.00 0.00 C ATOM 492 O GLN A 35 -4.512 -19.074 9.698 1.00 0.00 O ATOM 493 CB GLN A 35 -5.994 -16.799 11.411 1.00 0.00 C ATOM 494 CG GLN A 35 -6.046 -15.352 10.946 1.00 0.00 C ATOM 495 CD GLN A 35 -6.171 -14.374 12.098 1.00 0.00 C ATOM 496 OE1 GLN A 35 -7.160 -14.383 12.830 1.00 0.00 O ATOM 497 NE2 GLN A 35 -5.165 -13.523 12.263 1.00 0.00 N ATOM 0 H GLN A 35 -6.502 -19.282 11.829 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.232 -17.349 9.743 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.625 -16.912 12.292 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.975 -17.038 11.716 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.145 -15.124 10.377 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.891 -15.222 10.270 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.364 -13.551 11.632 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.193 -12.841 13.021 1.00 0.00 H new ATOM 506 N LEU A 36 -5.138 -17.389 8.344 1.00 0.00 N ATOM 507 CA LEU A 36 -4.061 -17.614 7.386 1.00 0.00 C ATOM 508 C LEU A 36 -2.927 -16.615 7.596 1.00 0.00 C ATOM 509 O LEU A 36 -1.791 -16.999 7.873 1.00 0.00 O ATOM 510 CB LEU A 36 -4.593 -17.505 5.956 1.00 0.00 C ATOM 511 CG LEU A 36 -6.035 -17.964 5.739 1.00 0.00 C ATOM 512 CD1 LEU A 36 -7.008 -16.843 6.071 1.00 0.00 C ATOM 513 CD2 LEU A 36 -6.234 -18.440 4.307 1.00 0.00 C ATOM 0 H LEU A 36 -5.760 -16.616 8.106 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.670 -18.619 7.546 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.512 -16.466 5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.945 -18.089 5.303 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.234 -18.800 6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.029 -17.188 5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.884 -16.550 7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.809 -15.986 5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.266 -18.763 4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.015 -17.624 3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.563 -19.275 4.105 1.00 0.00 H new ATOM 525 N SER A 37 -3.245 -15.331 7.465 1.00 0.00 N ATOM 526 CA SER A 37 -2.253 -14.276 7.639 1.00 0.00 C ATOM 527 C SER A 37 -1.309 -14.604 8.792 1.00 0.00 C ATOM 528 O SER A 37 -0.169 -14.142 8.824 1.00 0.00 O ATOM 529 CB SER A 37 -2.943 -12.935 7.895 1.00 0.00 C ATOM 530 OG SER A 37 -3.378 -12.834 9.240 1.00 0.00 O ATOM 0 H SER A 37 -4.182 -14.996 7.239 1.00 0.00 H new ATOM 0 HA SER A 37 -1.668 -14.206 6.722 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.255 -12.120 7.670 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.796 -12.827 7.225 1.00 0.00 H new ATOM 0 HG SER A 37 -4.333 -13.046 9.292 1.00 0.00 H new ATOM 536 N GLU A 38 -1.795 -15.403 9.738 1.00 0.00 N ATOM 537 CA GLU A 38 -0.995 -15.791 10.893 1.00 0.00 C ATOM 538 C GLU A 38 0.367 -16.324 10.458 1.00 0.00 C ATOM 539 O GLU A 38 1.405 -15.882 10.950 1.00 0.00 O ATOM 540 CB GLU A 38 -1.730 -16.850 11.718 1.00 0.00 C ATOM 541 CG GLU A 38 -2.752 -16.270 12.681 1.00 0.00 C ATOM 542 CD GLU A 38 -3.473 -17.339 13.479 1.00 0.00 C ATOM 543 OE1 GLU A 38 -3.603 -18.472 12.971 1.00 0.00 O ATOM 544 OE2 GLU A 38 -3.908 -17.042 14.612 1.00 0.00 O ATOM 0 H GLU A 38 -2.737 -15.793 9.727 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.839 -14.905 11.508 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.232 -17.541 11.041 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.000 -17.430 12.282 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.252 -15.585 13.366 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.482 -15.685 12.122 1.00 0.00 H new ATOM 551 N VAL A 39 0.354 -17.279 9.533 1.00 0.00 N ATOM 552 CA VAL A 39 1.587 -17.873 9.031 1.00 0.00 C ATOM 553 C VAL A 39 2.324 -16.911 8.107 1.00 0.00 C ATOM 554 O VAL A 39 3.366 -17.249 7.544 1.00 0.00 O ATOM 555 CB VAL A 39 1.309 -19.185 8.272 1.00 0.00 C ATOM 556 CG1 VAL A 39 0.451 -20.117 9.113 1.00 0.00 C ATOM 557 CG2 VAL A 39 0.644 -18.895 6.935 1.00 0.00 C ATOM 0 H VAL A 39 -0.497 -17.657 9.116 1.00 0.00 H new ATOM 0 HA VAL A 39 2.211 -18.088 9.898 1.00 0.00 H new ATOM 0 HB VAL A 39 2.260 -19.682 8.079 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.265 -21.038 8.561 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.970 -20.350 10.043 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.499 -19.632 9.340 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.455 -19.832 6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.300 -18.376 7.103 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.300 -18.268 6.331 1.00 0.00 H new ATOM 567 N PHE A 40 1.778 -15.709 7.955 1.00 0.00 N ATOM 568 CA PHE A 40 2.383 -14.696 7.099 1.00 0.00 C ATOM 569 C PHE A 40 2.620 -13.401 7.871 1.00 0.00 C ATOM 570 O PHE A 40 2.808 -12.338 7.279 1.00 0.00 O ATOM 571 CB PHE A 40 1.491 -14.424 5.886 1.00 0.00 C ATOM 572 CG PHE A 40 1.077 -15.669 5.155 1.00 0.00 C ATOM 573 CD1 PHE A 40 1.863 -16.184 4.137 1.00 0.00 C ATOM 574 CD2 PHE A 40 -0.099 -16.323 5.485 1.00 0.00 C ATOM 575 CE1 PHE A 40 1.485 -17.330 3.462 1.00 0.00 C ATOM 576 CE2 PHE A 40 -0.482 -17.469 4.815 1.00 0.00 C ATOM 577 CZ PHE A 40 0.310 -17.973 3.801 1.00 0.00 C ATOM 0 H PHE A 40 0.917 -15.413 8.414 1.00 0.00 H new ATOM 0 HA PHE A 40 3.346 -15.075 6.756 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.598 -13.891 6.214 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.020 -13.766 5.196 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.782 -15.684 3.867 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.723 -15.933 6.275 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.107 -17.722 2.671 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.400 -17.971 5.084 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.011 -18.867 3.275 1.00 0.00 H new ATOM 587 N ILE A 41 2.608 -13.499 9.196 1.00 0.00 N ATOM 588 CA ILE A 41 2.821 -12.337 10.050 1.00 0.00 C ATOM 589 C ILE A 41 4.292 -11.934 10.072 1.00 0.00 C ATOM 590 O ILE A 41 4.676 -10.920 9.489 1.00 0.00 O ATOM 591 CB ILE A 41 2.352 -12.604 11.492 1.00 0.00 C ATOM 592 CG1 ILE A 41 0.869 -12.980 11.508 1.00 0.00 C ATOM 593 CG2 ILE A 41 2.605 -11.385 12.366 1.00 0.00 C ATOM 594 CD1 ILE A 41 -0.047 -11.841 11.120 1.00 0.00 C ATOM 0 H ILE A 41 2.453 -14.371 9.702 1.00 0.00 H new ATOM 0 HA ILE A 41 2.230 -11.524 9.630 1.00 0.00 H new ATOM 0 HB ILE A 41 2.923 -13.440 11.895 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.707 -13.815 10.826 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.601 -13.327 12.506 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.268 -11.590 13.382 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.671 -11.159 12.376 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.057 -10.531 11.967 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.083 -12.179 11.153 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.087 -11.013 11.816 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.194 -11.508 10.110 1.00 0.00 H new ATOM 606 N GLN A 42 5.109 -12.736 10.746 1.00 0.00 N ATOM 607 CA GLN A 42 6.539 -12.463 10.842 1.00 0.00 C ATOM 608 C GLN A 42 7.348 -13.535 10.121 1.00 0.00 C ATOM 609 O GLN A 42 6.917 -14.684 10.012 1.00 0.00 O ATOM 610 CB GLN A 42 6.967 -12.385 12.309 1.00 0.00 C ATOM 611 CG GLN A 42 6.774 -11.009 12.926 1.00 0.00 C ATOM 612 CD GLN A 42 6.944 -11.016 14.433 1.00 0.00 C ATOM 613 OE1 GLN A 42 6.070 -11.478 15.166 1.00 0.00 O ATOM 614 NE2 GLN A 42 8.075 -10.503 14.903 1.00 0.00 N ATOM 0 H GLN A 42 4.806 -13.579 11.233 1.00 0.00 H new ATOM 0 HA GLN A 42 6.733 -11.504 10.362 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.398 -13.115 12.884 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.017 -12.666 12.388 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.490 -10.314 12.487 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.779 -10.640 12.678 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.773 -10.131 14.259 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.246 -10.481 15.908 1.00 0.00 H new ATOM 623 N LEU A 43 8.521 -13.153 9.629 1.00 0.00 N ATOM 624 CA LEU A 43 9.392 -14.083 8.917 1.00 0.00 C ATOM 625 C LEU A 43 10.394 -14.727 9.868 1.00 0.00 C ATOM 626 O LEU A 43 10.701 -14.199 10.938 1.00 0.00 O ATOM 627 CB LEU A 43 10.132 -13.358 7.792 1.00 0.00 C ATOM 628 CG LEU A 43 9.341 -13.135 6.502 1.00 0.00 C ATOM 629 CD1 LEU A 43 10.135 -12.276 5.530 1.00 0.00 C ATOM 630 CD2 LEU A 43 8.975 -14.467 5.864 1.00 0.00 C ATOM 0 H LEU A 43 8.891 -12.206 9.710 1.00 0.00 H new ATOM 0 HA LEU A 43 8.771 -14.869 8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.459 -12.388 8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.030 -13.926 7.550 1.00 0.00 H new ATOM 0 HG LEU A 43 8.419 -12.608 6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.556 -12.128 4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.345 -11.309 5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.074 -12.774 5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.413 -14.289 4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.884 -15.020 5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.365 -15.047 6.557 1.00 0.00 H new ATOM 642 N PRO A 44 10.920 -15.896 9.471 1.00 0.00 N ATOM 643 CA PRO A 44 11.899 -16.636 10.273 1.00 0.00 C ATOM 644 C PRO A 44 13.252 -15.935 10.330 1.00 0.00 C ATOM 645 O PRO A 44 13.627 -15.213 9.406 1.00 0.00 O ATOM 646 CB PRO A 44 12.021 -17.973 9.537 1.00 0.00 C ATOM 647 CG PRO A 44 11.640 -17.667 8.130 1.00 0.00 C ATOM 648 CD PRO A 44 10.601 -16.583 8.209 1.00 0.00 C ATOM 0 HA PRO A 44 11.585 -16.732 11.312 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.036 -18.366 9.596 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.362 -18.725 9.971 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.505 -17.337 7.554 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.244 -18.552 7.632 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.661 -15.906 7.357 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.591 -16.994 8.219 1.00 0.00 H new ATOM 656 N SER A 45 13.980 -16.152 11.421 1.00 0.00 N ATOM 657 CA SER A 45 15.290 -15.537 11.600 1.00 0.00 C ATOM 658 C SER A 45 16.303 -16.121 10.619 1.00 0.00 C ATOM 659 O SER A 45 16.575 -17.322 10.633 1.00 0.00 O ATOM 660 CB SER A 45 15.779 -15.737 13.035 1.00 0.00 C ATOM 661 OG SER A 45 17.003 -15.057 13.257 1.00 0.00 O ATOM 0 H SER A 45 13.685 -16.749 12.194 1.00 0.00 H new ATOM 0 HA SER A 45 15.193 -14.469 11.403 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.025 -15.373 13.733 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.909 -16.801 13.233 1.00 0.00 H new ATOM 0 HG SER A 45 17.293 -15.199 14.182 1.00 0.00 H new ATOM 667 N ARG A 46 16.857 -15.263 9.769 1.00 0.00 N ATOM 668 CA ARG A 46 17.838 -15.693 8.780 1.00 0.00 C ATOM 669 C ARG A 46 18.758 -16.765 9.357 1.00 0.00 C ATOM 670 O ARG A 46 19.186 -17.677 8.650 1.00 0.00 O ATOM 671 CB ARG A 46 18.667 -14.500 8.301 1.00 0.00 C ATOM 672 CG ARG A 46 19.419 -14.761 7.006 1.00 0.00 C ATOM 673 CD ARG A 46 20.788 -15.369 7.270 1.00 0.00 C ATOM 674 NE ARG A 46 21.768 -14.360 7.663 1.00 0.00 N ATOM 675 CZ ARG A 46 22.283 -13.469 6.823 1.00 0.00 C ATOM 676 NH1 ARG A 46 21.913 -13.463 5.550 1.00 0.00 N ATOM 677 NH2 ARG A 46 23.170 -12.583 7.256 1.00 0.00 N ATOM 0 H ARG A 46 16.643 -14.266 9.745 1.00 0.00 H new ATOM 0 HA ARG A 46 17.300 -16.118 7.932 1.00 0.00 H new ATOM 0 HB2 ARG A 46 18.008 -13.643 8.162 1.00 0.00 H new ATOM 0 HB3 ARG A 46 19.382 -14.230 9.078 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.837 -15.433 6.375 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.534 -13.827 6.456 1.00 0.00 H new ATOM 0 HD2 ARG A 46 20.706 -16.120 8.056 1.00 0.00 H new ATOM 0 HD3 ARG A 46 21.136 -15.882 6.374 1.00 0.00 H new ATOM 0 HE ARG A 46 22.074 -14.338 8.636 1.00 0.00 H new ATOM 0 HH11 ARG A 46 21.232 -14.143 5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 46 22.310 -12.778 4.907 1.00 0.00 H new ATOM 0 HH21 ARG A 46 23.457 -12.585 8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 46 23.565 -11.899 6.610 1.00 0.00 H new ATOM 691 N LYS A 47 19.057 -16.649 10.647 1.00 0.00 N ATOM 692 CA LYS A 47 19.925 -17.608 11.320 1.00 0.00 C ATOM 693 C LYS A 47 19.248 -18.971 11.429 1.00 0.00 C ATOM 694 O LYS A 47 19.858 -20.000 11.143 1.00 0.00 O ATOM 695 CB LYS A 47 20.296 -17.098 12.715 1.00 0.00 C ATOM 696 CG LYS A 47 21.191 -18.049 13.491 1.00 0.00 C ATOM 697 CD LYS A 47 21.945 -17.328 14.596 1.00 0.00 C ATOM 698 CE LYS A 47 21.056 -17.073 15.803 1.00 0.00 C ATOM 699 NZ LYS A 47 21.788 -16.368 16.892 1.00 0.00 N ATOM 0 H LYS A 47 18.711 -15.900 11.247 1.00 0.00 H new ATOM 0 HA LYS A 47 20.832 -17.719 10.726 1.00 0.00 H new ATOM 0 HB2 LYS A 47 20.799 -16.136 12.619 1.00 0.00 H new ATOM 0 HB3 LYS A 47 19.383 -16.925 13.285 1.00 0.00 H new ATOM 0 HG2 LYS A 47 20.588 -18.848 13.922 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.902 -18.518 12.811 1.00 0.00 H new ATOM 0 HD2 LYS A 47 22.807 -17.923 14.897 1.00 0.00 H new ATOM 0 HD3 LYS A 47 22.328 -16.380 14.218 1.00 0.00 H new ATOM 0 HE2 LYS A 47 20.194 -16.478 15.500 1.00 0.00 H new ATOM 0 HE3 LYS A 47 20.672 -18.022 16.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 21.148 -16.213 17.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 22.596 -16.947 17.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 22.132 -15.451 16.542 1.00 0.00 H new ATOM 713 N GLU A 48 17.985 -18.968 11.843 1.00 0.00 N ATOM 714 CA GLU A 48 17.227 -20.206 11.988 1.00 0.00 C ATOM 715 C GLU A 48 16.936 -20.828 10.625 1.00 0.00 C ATOM 716 O GLU A 48 17.211 -22.007 10.398 1.00 0.00 O ATOM 717 CB GLU A 48 15.915 -19.942 12.730 1.00 0.00 C ATOM 718 CG GLU A 48 16.104 -19.260 14.075 1.00 0.00 C ATOM 719 CD GLU A 48 16.432 -20.239 15.185 1.00 0.00 C ATOM 720 OE1 GLU A 48 17.628 -20.538 15.379 1.00 0.00 O ATOM 721 OE2 GLU A 48 15.491 -20.706 15.861 1.00 0.00 O ATOM 0 H GLU A 48 17.465 -18.124 12.084 1.00 0.00 H new ATOM 0 HA GLU A 48 17.830 -20.906 12.567 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.272 -19.322 12.105 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.396 -20.888 12.882 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.905 -18.525 13.996 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.196 -18.715 14.333 1.00 0.00 H new ATOM 728 N LEU A 49 16.379 -20.029 9.723 1.00 0.00 N ATOM 729 CA LEU A 49 16.049 -20.501 8.382 1.00 0.00 C ATOM 730 C LEU A 49 16.676 -19.603 7.320 1.00 0.00 C ATOM 731 O LEU A 49 16.005 -18.786 6.689 1.00 0.00 O ATOM 732 CB LEU A 49 14.532 -20.549 8.195 1.00 0.00 C ATOM 733 CG LEU A 49 14.035 -21.191 6.900 1.00 0.00 C ATOM 734 CD1 LEU A 49 14.807 -22.469 6.608 1.00 0.00 C ATOM 735 CD2 LEU A 49 12.542 -21.475 6.983 1.00 0.00 C ATOM 0 H LEU A 49 16.146 -19.051 9.895 1.00 0.00 H new ATOM 0 HA LEU A 49 16.454 -21.506 8.267 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.100 -21.092 9.035 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.148 -19.530 8.242 1.00 0.00 H new ATOM 0 HG LEU A 49 14.206 -20.492 6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.440 -22.912 5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 49 15.867 -22.238 6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.668 -23.173 7.428 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.206 -21.932 6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.347 -22.155 7.812 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.003 -20.542 7.144 1.00 0.00 H new ATOM 747 N PRO A 50 17.992 -19.757 7.116 1.00 0.00 N ATOM 748 CA PRO A 50 18.737 -18.971 6.128 1.00 0.00 C ATOM 749 C PRO A 50 18.372 -19.343 4.695 1.00 0.00 C ATOM 750 O PRO A 50 18.112 -18.472 3.865 1.00 0.00 O ATOM 751 CB PRO A 50 20.197 -19.329 6.418 1.00 0.00 C ATOM 752 CG PRO A 50 20.138 -20.677 7.049 1.00 0.00 C ATOM 753 CD PRO A 50 18.855 -20.712 7.832 1.00 0.00 C ATOM 0 HA PRO A 50 18.521 -17.906 6.208 1.00 0.00 H new ATOM 0 HB2 PRO A 50 20.790 -19.346 5.503 1.00 0.00 H new ATOM 0 HB3 PRO A 50 20.659 -18.600 7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 50 20.156 -21.463 6.294 1.00 0.00 H new ATOM 0 HG3 PRO A 50 20.997 -20.841 7.700 1.00 0.00 H new ATOM 0 HD2 PRO A 50 18.421 -21.712 7.848 1.00 0.00 H new ATOM 0 HD3 PRO A 50 19.009 -20.415 8.869 1.00 0.00 H new ATOM 761 N GLU A 51 18.353 -20.642 4.412 1.00 0.00 N ATOM 762 CA GLU A 51 18.019 -21.128 3.079 1.00 0.00 C ATOM 763 C GLU A 51 16.850 -20.342 2.490 1.00 0.00 C ATOM 764 O GLU A 51 16.889 -19.924 1.333 1.00 0.00 O ATOM 765 CB GLU A 51 17.674 -22.618 3.126 1.00 0.00 C ATOM 766 CG GLU A 51 16.796 -23.002 4.305 1.00 0.00 C ATOM 767 CD GLU A 51 16.491 -24.487 4.346 1.00 0.00 C ATOM 768 OE1 GLU A 51 15.867 -24.992 3.390 1.00 0.00 O ATOM 769 OE2 GLU A 51 16.878 -25.144 5.336 1.00 0.00 O ATOM 0 H GLU A 51 18.565 -21.376 5.088 1.00 0.00 H new ATOM 0 HA GLU A 51 18.890 -20.984 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.168 -22.894 2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.598 -23.195 3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.291 -22.711 5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.861 -22.444 4.254 1.00 0.00 H new ATOM 776 N TYR A 52 15.812 -20.146 3.295 1.00 0.00 N ATOM 777 CA TYR A 52 14.631 -19.414 2.855 1.00 0.00 C ATOM 778 C TYR A 52 15.024 -18.126 2.138 1.00 0.00 C ATOM 779 O TYR A 52 14.456 -17.781 1.101 1.00 0.00 O ATOM 780 CB TYR A 52 13.730 -19.093 4.048 1.00 0.00 C ATOM 781 CG TYR A 52 12.747 -17.975 3.781 1.00 0.00 C ATOM 782 CD1 TYR A 52 13.088 -16.650 4.023 1.00 0.00 C ATOM 783 CD2 TYR A 52 11.476 -18.244 3.287 1.00 0.00 C ATOM 784 CE1 TYR A 52 12.193 -15.626 3.781 1.00 0.00 C ATOM 785 CE2 TYR A 52 10.575 -17.226 3.041 1.00 0.00 C ATOM 786 CZ TYR A 52 10.938 -15.919 3.289 1.00 0.00 C ATOM 787 OH TYR A 52 10.043 -14.903 3.047 1.00 0.00 O ATOM 0 H TYR A 52 15.765 -20.484 4.256 1.00 0.00 H new ATOM 0 HA TYR A 52 14.084 -20.045 2.155 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.179 -19.991 4.328 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.353 -18.822 4.900 1.00 0.00 H new ATOM 0 HD1 TYR A 52 14.070 -16.417 4.407 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.188 -19.266 3.092 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.474 -14.602 3.976 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.592 -17.453 2.656 1.00 0.00 H new ATOM 0 HH TYR A 52 9.206 -15.279 2.702 1.00 0.00 H new ATOM 797 N TYR A 53 15.999 -17.420 2.698 1.00 0.00 N ATOM 798 CA TYR A 53 16.469 -16.169 2.115 1.00 0.00 C ATOM 799 C TYR A 53 17.265 -16.427 0.839 1.00 0.00 C ATOM 800 O TYR A 53 17.280 -15.601 -0.073 1.00 0.00 O ATOM 801 CB TYR A 53 17.331 -15.404 3.121 1.00 0.00 C ATOM 802 CG TYR A 53 16.538 -14.788 4.252 1.00 0.00 C ATOM 803 CD1 TYR A 53 16.181 -15.538 5.366 1.00 0.00 C ATOM 804 CD2 TYR A 53 16.148 -13.455 4.207 1.00 0.00 C ATOM 805 CE1 TYR A 53 15.456 -14.979 6.401 1.00 0.00 C ATOM 806 CE2 TYR A 53 15.425 -12.887 5.238 1.00 0.00 C ATOM 807 CZ TYR A 53 15.081 -13.653 6.332 1.00 0.00 C ATOM 808 OH TYR A 53 14.360 -13.092 7.362 1.00 0.00 O ATOM 0 H TYR A 53 16.480 -17.692 3.555 1.00 0.00 H new ATOM 0 HA TYR A 53 15.597 -15.566 1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 53 18.076 -16.082 3.538 1.00 0.00 H new ATOM 0 HB3 TYR A 53 17.873 -14.617 2.598 1.00 0.00 H new ATOM 0 HD1 TYR A 53 16.475 -16.576 5.424 1.00 0.00 H new ATOM 0 HD2 TYR A 53 16.415 -12.853 3.351 1.00 0.00 H new ATOM 0 HE1 TYR A 53 15.185 -15.576 7.259 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.131 -11.849 5.188 1.00 0.00 H new ATOM 0 HH TYR A 53 14.128 -13.785 8.015 1.00 0.00 H new ATOM 818 N GLU A 54 17.925 -17.580 0.785 1.00 0.00 N ATOM 819 CA GLU A 54 18.724 -17.947 -0.379 1.00 0.00 C ATOM 820 C GLU A 54 17.860 -18.007 -1.635 1.00 0.00 C ATOM 821 O GLU A 54 18.110 -17.295 -2.609 1.00 0.00 O ATOM 822 CB GLU A 54 19.405 -19.298 -0.151 1.00 0.00 C ATOM 823 CG GLU A 54 20.355 -19.308 1.035 1.00 0.00 C ATOM 824 CD GLU A 54 21.233 -20.544 1.069 1.00 0.00 C ATOM 825 OE1 GLU A 54 21.938 -20.797 0.070 1.00 0.00 O ATOM 826 OE2 GLU A 54 21.216 -21.257 2.094 1.00 0.00 O ATOM 0 H GLU A 54 17.922 -18.275 1.532 1.00 0.00 H new ATOM 0 HA GLU A 54 19.487 -17.182 -0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.640 -20.060 0.000 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.956 -19.574 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.986 -18.420 0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 54 19.778 -19.251 1.958 1.00 0.00 H new ATOM 833 N LEU A 55 16.842 -18.860 -1.606 1.00 0.00 N ATOM 834 CA LEU A 55 15.940 -19.014 -2.742 1.00 0.00 C ATOM 835 C LEU A 55 15.089 -17.763 -2.935 1.00 0.00 C ATOM 836 O LEU A 55 14.974 -17.244 -4.046 1.00 0.00 O ATOM 837 CB LEU A 55 15.038 -20.233 -2.540 1.00 0.00 C ATOM 838 CG LEU A 55 14.739 -20.614 -1.090 1.00 0.00 C ATOM 839 CD1 LEU A 55 13.342 -21.203 -0.970 1.00 0.00 C ATOM 840 CD2 LEU A 55 15.779 -21.595 -0.571 1.00 0.00 C ATOM 0 H LEU A 55 16.621 -19.456 -0.808 1.00 0.00 H new ATOM 0 HA LEU A 55 16.544 -19.161 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 55 14.092 -20.048 -3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.502 -21.088 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 55 14.784 -19.711 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.147 -21.468 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.608 -20.468 -1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.269 -22.095 -1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.550 -21.855 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.766 -22.497 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.767 -21.137 -0.620 1.00 0.00 H new ATOM 852 N ILE A 56 14.496 -17.284 -1.847 1.00 0.00 N ATOM 853 CA ILE A 56 13.659 -16.092 -1.896 1.00 0.00 C ATOM 854 C ILE A 56 14.471 -14.865 -2.299 1.00 0.00 C ATOM 855 O ILE A 56 15.605 -14.687 -1.856 1.00 0.00 O ATOM 856 CB ILE A 56 12.982 -15.823 -0.540 1.00 0.00 C ATOM 857 CG1 ILE A 56 11.974 -16.929 -0.219 1.00 0.00 C ATOM 858 CG2 ILE A 56 12.299 -14.463 -0.549 1.00 0.00 C ATOM 859 CD1 ILE A 56 11.086 -17.294 -1.388 1.00 0.00 C ATOM 0 H ILE A 56 14.580 -17.703 -0.921 1.00 0.00 H new ATOM 0 HA ILE A 56 12.890 -16.278 -2.646 1.00 0.00 H new ATOM 0 HB ILE A 56 13.747 -15.819 0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 56 12.514 -17.818 0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.350 -16.610 0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.825 -14.288 0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 56 13.039 -13.685 -0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.543 -14.441 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.397 -18.084 -1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.519 -16.417 -1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 56 11.701 -17.644 -2.217 1.00 0.00 H new ATOM 871 N ARG A 57 13.881 -14.022 -3.140 1.00 0.00 N ATOM 872 CA ARG A 57 14.550 -12.812 -3.602 1.00 0.00 C ATOM 873 C ARG A 57 14.203 -11.624 -2.708 1.00 0.00 C ATOM 874 O ARG A 57 15.079 -11.031 -2.077 1.00 0.00 O ATOM 875 CB ARG A 57 14.156 -12.506 -5.048 1.00 0.00 C ATOM 876 CG ARG A 57 15.028 -13.206 -6.077 1.00 0.00 C ATOM 877 CD ARG A 57 14.979 -12.500 -7.423 1.00 0.00 C ATOM 878 NE ARG A 57 15.372 -13.381 -8.519 1.00 0.00 N ATOM 879 CZ ARG A 57 16.635 -13.632 -8.844 1.00 0.00 C ATOM 880 NH1 ARG A 57 17.623 -13.072 -8.159 1.00 0.00 N ATOM 881 NH2 ARG A 57 16.912 -14.446 -9.854 1.00 0.00 N ATOM 0 H ARG A 57 12.942 -14.155 -3.515 1.00 0.00 H new ATOM 0 HA ARG A 57 15.626 -12.981 -3.553 1.00 0.00 H new ATOM 0 HB2 ARG A 57 13.118 -12.800 -5.203 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.210 -11.430 -5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 57 16.057 -13.240 -5.720 1.00 0.00 H new ATOM 0 HG3 ARG A 57 14.697 -14.238 -6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 57 13.970 -12.129 -7.601 1.00 0.00 H new ATOM 0 HD3 ARG A 57 15.639 -11.632 -7.401 1.00 0.00 H new ATOM 0 HE ARG A 57 14.636 -13.828 -9.065 1.00 0.00 H new ATOM 0 HH11 ARG A 57 17.414 -12.447 -7.381 1.00 0.00 H new ATOM 0 HH12 ARG A 57 18.592 -13.266 -8.411 1.00 0.00 H new ATOM 0 HH21 ARG A 57 16.155 -14.880 -10.382 1.00 0.00 H new ATOM 0 HH22 ARG A 57 17.882 -14.638 -10.103 1.00 0.00 H new ATOM 895 N LYS A 58 12.920 -11.282 -2.658 1.00 0.00 N ATOM 896 CA LYS A 58 12.457 -10.167 -1.841 1.00 0.00 C ATOM 897 C LYS A 58 11.483 -10.646 -0.769 1.00 0.00 C ATOM 898 O LYS A 58 10.264 -10.609 -0.942 1.00 0.00 O ATOM 899 CB LYS A 58 11.785 -9.110 -2.720 1.00 0.00 C ATOM 900 CG LYS A 58 12.753 -8.360 -3.618 1.00 0.00 C ATOM 901 CD LYS A 58 13.372 -7.171 -2.902 1.00 0.00 C ATOM 902 CE LYS A 58 12.409 -5.996 -2.838 1.00 0.00 C ATOM 903 NZ LYS A 58 12.729 -5.077 -1.711 1.00 0.00 N ATOM 0 H LYS A 58 12.182 -11.761 -3.174 1.00 0.00 H new ATOM 0 HA LYS A 58 13.323 -9.725 -1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.028 -9.592 -3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.267 -8.395 -2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.541 -9.036 -3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.231 -8.016 -4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.659 -7.463 -1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.283 -6.868 -3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.446 -5.445 -3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.390 -6.367 -2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.050 -4.289 -1.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.669 -5.596 -0.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.692 -4.703 -1.831 1.00 0.00 H new ATOM 917 N PRO A 59 12.030 -11.105 0.366 1.00 0.00 N ATOM 918 CA PRO A 59 11.227 -11.597 1.490 1.00 0.00 C ATOM 919 C PRO A 59 10.467 -10.478 2.193 1.00 0.00 C ATOM 920 O PRO A 59 11.049 -9.465 2.579 1.00 0.00 O ATOM 921 CB PRO A 59 12.270 -12.208 2.429 1.00 0.00 C ATOM 922 CG PRO A 59 13.535 -11.489 2.111 1.00 0.00 C ATOM 923 CD PRO A 59 13.475 -11.177 0.641 1.00 0.00 C ATOM 0 HA PRO A 59 10.460 -12.301 1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.990 -12.072 3.474 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.372 -13.280 2.263 1.00 0.00 H new ATOM 0 HG2 PRO A 59 13.624 -10.576 2.700 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.403 -12.105 2.344 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.975 -10.237 0.409 1.00 0.00 H new ATOM 0 HD3 PRO A 59 13.959 -11.951 0.046 1.00 0.00 H new ATOM 931 N VAL A 60 9.161 -10.669 2.357 1.00 0.00 N ATOM 932 CA VAL A 60 8.321 -9.676 3.016 1.00 0.00 C ATOM 933 C VAL A 60 7.099 -10.327 3.654 1.00 0.00 C ATOM 934 O VAL A 60 6.649 -11.387 3.219 1.00 0.00 O ATOM 935 CB VAL A 60 7.854 -8.591 2.028 1.00 0.00 C ATOM 936 CG1 VAL A 60 6.702 -9.104 1.177 1.00 0.00 C ATOM 937 CG2 VAL A 60 7.455 -7.327 2.774 1.00 0.00 C ATOM 0 H VAL A 60 8.663 -11.502 2.043 1.00 0.00 H new ATOM 0 HA VAL A 60 8.929 -9.212 3.792 1.00 0.00 H new ATOM 0 HB VAL A 60 8.684 -8.347 1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.385 -8.324 0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.027 -9.979 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.867 -9.378 1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.128 -6.571 2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.641 -7.553 3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.310 -6.950 3.335 1.00 0.00 H new ATOM 947 N ASP A 61 6.566 -9.685 4.688 1.00 0.00 N ATOM 948 CA ASP A 61 5.394 -10.201 5.386 1.00 0.00 C ATOM 949 C ASP A 61 4.353 -9.103 5.585 1.00 0.00 C ATOM 950 O ASP A 61 4.520 -7.982 5.105 1.00 0.00 O ATOM 951 CB ASP A 61 5.798 -10.789 6.739 1.00 0.00 C ATOM 952 CG ASP A 61 6.646 -9.834 7.556 1.00 0.00 C ATOM 953 OD1 ASP A 61 6.265 -8.650 7.668 1.00 0.00 O ATOM 954 OD2 ASP A 61 7.692 -10.270 8.081 1.00 0.00 O ATOM 0 H ASP A 61 6.927 -8.807 5.061 1.00 0.00 H new ATOM 0 HA ASP A 61 4.954 -10.988 4.773 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.901 -11.046 7.302 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.351 -11.715 6.579 1.00 0.00 H new ATOM 959 N PHE A 62 3.279 -9.434 6.293 1.00 0.00 N ATOM 960 CA PHE A 62 2.210 -8.478 6.553 1.00 0.00 C ATOM 961 C PHE A 62 2.699 -7.347 7.454 1.00 0.00 C ATOM 962 O PHE A 62 2.273 -6.200 7.317 1.00 0.00 O ATOM 963 CB PHE A 62 1.014 -9.180 7.200 1.00 0.00 C ATOM 964 CG PHE A 62 0.024 -9.716 6.206 1.00 0.00 C ATOM 965 CD1 PHE A 62 -0.500 -8.896 5.220 1.00 0.00 C ATOM 966 CD2 PHE A 62 -0.382 -11.040 6.258 1.00 0.00 C ATOM 967 CE1 PHE A 62 -1.412 -9.386 4.305 1.00 0.00 C ATOM 968 CE2 PHE A 62 -1.293 -11.536 5.345 1.00 0.00 C ATOM 969 CZ PHE A 62 -1.808 -10.708 4.367 1.00 0.00 C ATOM 0 H PHE A 62 3.126 -10.358 6.697 1.00 0.00 H new ATOM 0 HA PHE A 62 1.899 -8.051 5.600 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.376 -10.001 7.819 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.507 -8.480 7.864 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.192 -7.862 5.166 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.018 -11.692 7.021 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.815 -8.736 3.542 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.602 -12.570 5.396 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.519 -11.094 3.652 1.00 0.00 H new ATOM 979 N LYS A 63 3.595 -7.680 8.377 1.00 0.00 N ATOM 980 CA LYS A 63 4.144 -6.695 9.302 1.00 0.00 C ATOM 981 C LYS A 63 4.818 -5.555 8.545 1.00 0.00 C ATOM 982 O LYS A 63 4.365 -4.411 8.591 1.00 0.00 O ATOM 983 CB LYS A 63 5.148 -7.357 10.248 1.00 0.00 C ATOM 984 CG LYS A 63 4.597 -8.581 10.960 1.00 0.00 C ATOM 985 CD LYS A 63 3.939 -8.210 12.278 1.00 0.00 C ATOM 986 CE LYS A 63 4.973 -7.941 13.361 1.00 0.00 C ATOM 987 NZ LYS A 63 5.425 -6.522 13.356 1.00 0.00 N ATOM 0 H LYS A 63 3.957 -8.625 8.505 1.00 0.00 H new ATOM 0 HA LYS A 63 3.321 -6.284 9.886 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.033 -7.645 9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.469 -6.628 10.992 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.872 -9.081 10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.404 -9.291 11.142 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.317 -7.325 12.139 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.279 -9.017 12.596 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.550 -8.184 14.336 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.832 -8.596 13.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.463 -6.166 14.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.371 -6.460 12.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.757 -5.947 12.804 1.00 0.00 H new ATOM 1001 N LYS A 64 5.903 -5.874 7.847 1.00 0.00 N ATOM 1002 CA LYS A 64 6.639 -4.878 7.077 1.00 0.00 C ATOM 1003 C LYS A 64 5.687 -4.005 6.267 1.00 0.00 C ATOM 1004 O LYS A 64 5.805 -2.779 6.264 1.00 0.00 O ATOM 1005 CB LYS A 64 7.639 -5.563 6.143 1.00 0.00 C ATOM 1006 CG LYS A 64 8.992 -5.822 6.785 1.00 0.00 C ATOM 1007 CD LYS A 64 8.859 -6.660 8.045 1.00 0.00 C ATOM 1008 CE LYS A 64 8.600 -5.792 9.267 1.00 0.00 C ATOM 1009 NZ LYS A 64 9.154 -6.402 10.508 1.00 0.00 N ATOM 0 H LYS A 64 6.292 -6.816 7.799 1.00 0.00 H new ATOM 0 HA LYS A 64 7.181 -4.242 7.777 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.219 -6.511 5.806 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.779 -4.944 5.257 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.641 -6.333 6.074 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.469 -4.872 7.027 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.044 -7.373 7.925 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.770 -7.240 8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.046 -4.809 9.115 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.527 -5.641 9.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.957 -5.780 11.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.710 -7.329 10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.182 -6.523 10.406 1.00 0.00 H new ATOM 1023 N ILE A 65 4.744 -4.643 5.582 1.00 0.00 N ATOM 1024 CA ILE A 65 3.770 -3.922 4.770 1.00 0.00 C ATOM 1025 C ILE A 65 3.098 -2.814 5.573 1.00 0.00 C ATOM 1026 O ILE A 65 2.895 -1.707 5.075 1.00 0.00 O ATOM 1027 CB ILE A 65 2.689 -4.869 4.217 1.00 0.00 C ATOM 1028 CG1 ILE A 65 3.304 -5.856 3.223 1.00 0.00 C ATOM 1029 CG2 ILE A 65 1.573 -4.071 3.558 1.00 0.00 C ATOM 1030 CD1 ILE A 65 2.371 -6.981 2.832 1.00 0.00 C ATOM 0 H ILE A 65 4.633 -5.657 5.573 1.00 0.00 H new ATOM 0 HA ILE A 65 4.317 -3.482 3.936 1.00 0.00 H new ATOM 0 HB ILE A 65 2.264 -5.435 5.046 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.604 -5.315 2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.209 -6.280 3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.816 -4.754 3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.120 -3.405 4.292 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.983 -3.482 2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.874 -7.642 2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.090 -7.546 3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.476 -6.567 2.368 1.00 0.00 H new ATOM 1042 N LYS A 66 2.755 -3.119 6.821 1.00 0.00 N ATOM 1043 CA LYS A 66 2.108 -2.149 7.696 1.00 0.00 C ATOM 1044 C LYS A 66 3.124 -1.160 8.257 1.00 0.00 C ATOM 1045 O LYS A 66 2.840 0.031 8.383 1.00 0.00 O ATOM 1046 CB LYS A 66 1.390 -2.865 8.842 1.00 0.00 C ATOM 1047 CG LYS A 66 0.354 -3.873 8.376 1.00 0.00 C ATOM 1048 CD LYS A 66 -0.147 -4.730 9.526 1.00 0.00 C ATOM 1049 CE LYS A 66 -1.344 -4.093 10.215 1.00 0.00 C ATOM 1050 NZ LYS A 66 -1.518 -4.599 11.605 1.00 0.00 N ATOM 0 H LYS A 66 2.915 -4.031 7.249 1.00 0.00 H new ATOM 0 HA LYS A 66 1.377 -1.596 7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.129 -3.375 9.460 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.903 -2.123 9.475 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.485 -3.349 7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.787 -4.512 7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.423 -5.716 9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.655 -4.876 10.249 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.217 -3.011 10.236 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.246 -4.297 9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.344 -4.141 12.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.664 -5.628 11.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.668 -4.381 12.163 1.00 0.00 H new ATOM 1064 N GLU A 67 4.309 -1.661 8.591 1.00 0.00 N ATOM 1065 CA GLU A 67 5.367 -0.820 9.139 1.00 0.00 C ATOM 1066 C GLU A 67 5.537 0.450 8.309 1.00 0.00 C ATOM 1067 O GLU A 67 5.782 1.528 8.849 1.00 0.00 O ATOM 1068 CB GLU A 67 6.688 -1.591 9.187 1.00 0.00 C ATOM 1069 CG GLU A 67 7.804 -0.842 9.897 1.00 0.00 C ATOM 1070 CD GLU A 67 9.158 -1.498 9.709 1.00 0.00 C ATOM 1071 OE1 GLU A 67 9.400 -2.059 8.620 1.00 0.00 O ATOM 1072 OE2 GLU A 67 9.976 -1.450 10.652 1.00 0.00 O ATOM 0 H GLU A 67 4.561 -2.645 8.492 1.00 0.00 H new ATOM 0 HA GLU A 67 5.083 -0.536 10.152 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.525 -2.544 9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.004 -1.817 8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.845 0.181 9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.577 -0.784 10.962 1.00 0.00 H new ATOM 1079 N ARG A 68 5.404 0.312 6.994 1.00 0.00 N ATOM 1080 CA ARG A 68 5.544 1.447 6.089 1.00 0.00 C ATOM 1081 C ARG A 68 4.312 2.345 6.149 1.00 0.00 C ATOM 1082 O ARG A 68 4.402 3.554 5.932 1.00 0.00 O ATOM 1083 CB ARG A 68 5.765 0.959 4.656 1.00 0.00 C ATOM 1084 CG ARG A 68 7.166 0.429 4.402 1.00 0.00 C ATOM 1085 CD ARG A 68 7.295 -0.159 3.005 1.00 0.00 C ATOM 1086 NE ARG A 68 6.991 0.824 1.968 1.00 0.00 N ATOM 1087 CZ ARG A 68 7.040 0.558 0.667 1.00 0.00 C ATOM 1088 NH1 ARG A 68 7.379 -0.653 0.247 1.00 0.00 N ATOM 1089 NH2 ARG A 68 6.750 1.505 -0.216 1.00 0.00 N ATOM 0 H ARG A 68 5.200 -0.574 6.532 1.00 0.00 H new ATOM 0 HA ARG A 68 6.411 2.028 6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.043 0.174 4.433 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.566 1.780 3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.889 1.235 4.527 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.407 -0.333 5.143 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.308 -0.535 2.862 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.622 -1.010 2.906 1.00 0.00 H new ATOM 0 HE ARG A 68 6.727 1.765 2.258 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.603 -1.383 0.923 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.416 -0.854 -0.752 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.489 2.438 0.104 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.788 1.300 -1.214 1.00 0.00 H new ATOM 1103 N ILE A 69 3.163 1.745 6.443 1.00 0.00 N ATOM 1104 CA ILE A 69 1.914 2.491 6.531 1.00 0.00 C ATOM 1105 C ILE A 69 1.989 3.564 7.612 1.00 0.00 C ATOM 1106 O ILE A 69 2.084 4.754 7.314 1.00 0.00 O ATOM 1107 CB ILE A 69 0.723 1.561 6.828 1.00 0.00 C ATOM 1108 CG1 ILE A 69 0.458 0.639 5.636 1.00 0.00 C ATOM 1109 CG2 ILE A 69 -0.517 2.378 7.158 1.00 0.00 C ATOM 1110 CD1 ILE A 69 -0.933 0.045 5.629 1.00 0.00 C ATOM 0 H ILE A 69 3.072 0.745 6.624 1.00 0.00 H new ATOM 0 HA ILE A 69 1.761 2.966 5.562 1.00 0.00 H new ATOM 0 HB ILE A 69 0.969 0.944 7.693 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.610 1.199 4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.189 -0.169 5.643 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.350 1.707 7.366 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.323 2.997 8.034 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.768 3.017 6.311 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.050 -0.597 4.756 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.082 -0.543 6.535 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.671 0.847 5.591 1.00 0.00 H new ATOM 1122 N ARG A 70 1.949 3.133 8.869 1.00 0.00 N ATOM 1123 CA ARG A 70 2.013 4.056 9.995 1.00 0.00 C ATOM 1124 C ARG A 70 3.222 4.979 9.874 1.00 0.00 C ATOM 1125 O ARG A 70 3.191 6.122 10.328 1.00 0.00 O ATOM 1126 CB ARG A 70 2.079 3.282 11.313 1.00 0.00 C ATOM 1127 CG ARG A 70 3.474 2.785 11.658 1.00 0.00 C ATOM 1128 CD ARG A 70 3.761 1.440 11.010 1.00 0.00 C ATOM 1129 NE ARG A 70 3.351 0.325 11.858 1.00 0.00 N ATOM 1130 CZ ARG A 70 2.176 -0.286 11.752 1.00 0.00 C ATOM 1131 NH1 ARG A 70 1.300 0.109 10.838 1.00 0.00 N ATOM 1132 NH2 ARG A 70 1.875 -1.294 12.560 1.00 0.00 N ATOM 0 H ARG A 70 1.873 2.151 9.133 1.00 0.00 H new ATOM 0 HA ARG A 70 1.110 4.666 9.984 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.721 3.922 12.119 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.402 2.430 11.258 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.214 3.515 11.328 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.573 2.698 12.740 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.240 1.379 10.055 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.827 1.360 10.797 1.00 0.00 H new ATOM 0 HE ARG A 70 4.002 -0.003 12.571 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.528 0.883 10.214 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.399 -0.362 10.759 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.546 -1.601 13.264 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.972 -1.762 12.477 1.00 0.00 H new ATOM 1146 N ASN A 71 4.285 4.475 9.257 1.00 0.00 N ATOM 1147 CA ASN A 71 5.505 5.253 9.077 1.00 0.00 C ATOM 1148 C ASN A 71 5.305 6.342 8.026 1.00 0.00 C ATOM 1149 O ASN A 71 6.026 7.340 8.006 1.00 0.00 O ATOM 1150 CB ASN A 71 6.662 4.340 8.667 1.00 0.00 C ATOM 1151 CG ASN A 71 7.279 3.621 9.851 1.00 0.00 C ATOM 1152 OD1 ASN A 71 6.760 3.680 10.966 1.00 0.00 O ATOM 1153 ND2 ASN A 71 8.392 2.937 9.614 1.00 0.00 N ATOM 0 H ASN A 71 4.326 3.531 8.873 1.00 0.00 H new ATOM 0 HA ASN A 71 5.746 5.729 10.028 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.304 3.605 7.946 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.428 4.932 8.165 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.852 2.433 10.372 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.787 2.916 8.674 1.00 0.00 H new ATOM 1160 N HIS A 72 4.321 6.142 7.155 1.00 0.00 N ATOM 1161 CA HIS A 72 4.025 7.107 6.102 1.00 0.00 C ATOM 1162 C HIS A 72 5.100 7.076 5.019 1.00 0.00 C ATOM 1163 O HIS A 72 5.687 8.105 4.683 1.00 0.00 O ATOM 1164 CB HIS A 72 3.915 8.515 6.688 1.00 0.00 C ATOM 1165 CG HIS A 72 3.208 8.561 8.007 1.00 0.00 C ATOM 1166 ND1 HIS A 72 1.837 8.650 8.124 1.00 0.00 N ATOM 1167 CD2 HIS A 72 3.690 8.529 9.272 1.00 0.00 C ATOM 1168 CE1 HIS A 72 1.507 8.672 9.403 1.00 0.00 C ATOM 1169 NE2 HIS A 72 2.613 8.599 10.120 1.00 0.00 N ATOM 0 H HIS A 72 3.716 5.321 7.157 1.00 0.00 H new ATOM 0 HA HIS A 72 3.071 6.834 5.650 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.916 8.929 6.807 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.388 9.154 5.980 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.729 8.461 9.560 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.503 8.738 9.795 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.660 8.595 11.139 1.00 0.00 H new ATOM 1178 N LYS A 73 5.352 5.890 4.476 1.00 0.00 N ATOM 1179 CA LYS A 73 6.355 5.724 3.431 1.00 0.00 C ATOM 1180 C LYS A 73 5.697 5.414 2.090 1.00 0.00 C ATOM 1181 O LYS A 73 6.125 5.911 1.048 1.00 0.00 O ATOM 1182 CB LYS A 73 7.329 4.605 3.804 1.00 0.00 C ATOM 1183 CG LYS A 73 7.938 4.763 5.186 1.00 0.00 C ATOM 1184 CD LYS A 73 8.840 5.984 5.262 1.00 0.00 C ATOM 1185 CE LYS A 73 8.832 6.597 6.654 1.00 0.00 C ATOM 1186 NZ LYS A 73 9.777 5.901 7.571 1.00 0.00 N ATOM 0 H LYS A 73 4.875 5.029 4.743 1.00 0.00 H new ATOM 0 HA LYS A 73 6.905 6.660 3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.807 3.649 3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.130 4.571 3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.143 4.850 5.927 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.511 3.870 5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.858 5.703 4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.511 6.726 4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.100 7.652 6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.824 6.549 7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.706 6.315 8.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.538 4.890 7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.749 6.012 7.217 1.00 0.00 H new ATOM 1200 N TYR A 74 4.654 4.593 2.124 1.00 0.00 N ATOM 1201 CA TYR A 74 3.938 4.216 0.911 1.00 0.00 C ATOM 1202 C TYR A 74 3.618 5.444 0.064 1.00 0.00 C ATOM 1203 O TYR A 74 3.359 6.526 0.591 1.00 0.00 O ATOM 1204 CB TYR A 74 2.647 3.477 1.264 1.00 0.00 C ATOM 1205 CG TYR A 74 2.817 1.978 1.373 1.00 0.00 C ATOM 1206 CD1 TYR A 74 3.521 1.268 0.409 1.00 0.00 C ATOM 1207 CD2 TYR A 74 2.275 1.273 2.441 1.00 0.00 C ATOM 1208 CE1 TYR A 74 3.679 -0.102 0.504 1.00 0.00 C ATOM 1209 CE2 TYR A 74 2.428 -0.096 2.545 1.00 0.00 C ATOM 1210 CZ TYR A 74 3.131 -0.779 1.573 1.00 0.00 C ATOM 1211 OH TYR A 74 3.286 -2.142 1.672 1.00 0.00 O ATOM 0 H TYR A 74 4.285 4.175 2.978 1.00 0.00 H new ATOM 0 HA TYR A 74 4.581 3.554 0.331 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.266 3.861 2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.895 3.695 0.506 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.952 1.795 -0.429 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.725 1.805 3.203 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.229 -0.639 -0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.000 -0.629 3.382 1.00 0.00 H new ATOM 0 HH TYR A 74 4.176 -2.345 2.029 1.00 0.00 H new ATOM 1221 N ARG A 75 3.638 5.268 -1.253 1.00 0.00 N ATOM 1222 CA ARG A 75 3.352 6.360 -2.175 1.00 0.00 C ATOM 1223 C ARG A 75 1.866 6.404 -2.521 1.00 0.00 C ATOM 1224 O ARG A 75 1.289 7.478 -2.689 1.00 0.00 O ATOM 1225 CB ARG A 75 4.180 6.209 -3.453 1.00 0.00 C ATOM 1226 CG ARG A 75 5.582 6.785 -3.341 1.00 0.00 C ATOM 1227 CD ARG A 75 6.523 5.827 -2.628 1.00 0.00 C ATOM 1228 NE ARG A 75 7.919 6.060 -2.989 1.00 0.00 N ATOM 1229 CZ ARG A 75 8.443 5.714 -4.160 1.00 0.00 C ATOM 1230 NH1 ARG A 75 7.690 5.122 -5.077 1.00 0.00 N ATOM 1231 NH2 ARG A 75 9.721 5.959 -4.415 1.00 0.00 N ATOM 0 H ARG A 75 3.849 4.379 -1.706 1.00 0.00 H new ATOM 0 HA ARG A 75 3.622 7.295 -1.685 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.250 5.152 -3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.659 6.701 -4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.968 7.002 -4.337 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.546 7.731 -2.800 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.404 5.937 -1.550 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.251 4.801 -2.875 1.00 0.00 H new ATOM 0 HE ARG A 75 8.525 6.513 -2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.707 4.932 -4.884 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.094 4.857 -5.975 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.303 6.414 -3.712 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.122 5.693 -5.314 1.00 0.00 H new ATOM 1245 N SER A 76 1.254 5.229 -2.627 1.00 0.00 N ATOM 1246 CA SER A 76 -0.163 5.132 -2.957 1.00 0.00 C ATOM 1247 C SER A 76 -0.649 3.690 -2.849 1.00 0.00 C ATOM 1248 O SER A 76 0.150 2.754 -2.812 1.00 0.00 O ATOM 1249 CB SER A 76 -0.416 5.663 -4.370 1.00 0.00 C ATOM 1250 OG SER A 76 -0.450 7.080 -4.384 1.00 0.00 O ATOM 0 H SER A 76 1.717 4.331 -2.489 1.00 0.00 H new ATOM 0 HA SER A 76 -0.720 5.739 -2.243 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.367 5.308 -5.041 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.360 5.270 -4.746 1.00 0.00 H new ATOM 0 HG SER A 76 -0.086 7.424 -3.542 1.00 0.00 H new ATOM 1256 N LEU A 77 -1.966 3.519 -2.799 1.00 0.00 N ATOM 1257 CA LEU A 77 -2.561 2.191 -2.695 1.00 0.00 C ATOM 1258 C LEU A 77 -1.910 1.224 -3.679 1.00 0.00 C ATOM 1259 O LEU A 77 -1.594 0.087 -3.331 1.00 0.00 O ATOM 1260 CB LEU A 77 -4.067 2.264 -2.955 1.00 0.00 C ATOM 1261 CG LEU A 77 -4.948 2.511 -1.730 1.00 0.00 C ATOM 1262 CD1 LEU A 77 -6.272 3.134 -2.142 1.00 0.00 C ATOM 1263 CD2 LEU A 77 -5.180 1.214 -0.969 1.00 0.00 C ATOM 0 H LEU A 77 -2.641 4.283 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.390 1.821 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.253 3.059 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.381 1.330 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.432 3.208 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.886 3.303 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.087 4.085 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.794 2.462 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.809 1.409 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.674 0.493 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.223 0.809 -0.640 1.00 0.00 H new ATOM 1275 N GLY A 78 -1.710 1.685 -4.910 1.00 0.00 N ATOM 1276 CA GLY A 78 -1.095 0.849 -5.925 1.00 0.00 C ATOM 1277 C GLY A 78 0.144 0.138 -5.418 1.00 0.00 C ATOM 1278 O GLY A 78 0.432 -0.987 -5.824 1.00 0.00 O ATOM 0 H GLY A 78 -1.963 2.622 -5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.818 0.110 -6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.831 1.463 -6.786 1.00 0.00 H new ATOM 1282 N ASP A 79 0.880 0.797 -4.529 1.00 0.00 N ATOM 1283 CA ASP A 79 2.096 0.221 -3.966 1.00 0.00 C ATOM 1284 C ASP A 79 1.763 -0.902 -2.988 1.00 0.00 C ATOM 1285 O ASP A 79 2.205 -2.039 -3.158 1.00 0.00 O ATOM 1286 CB ASP A 79 2.918 1.301 -3.262 1.00 0.00 C ATOM 1287 CG ASP A 79 3.768 2.104 -4.227 1.00 0.00 C ATOM 1288 OD1 ASP A 79 4.863 1.627 -4.593 1.00 0.00 O ATOM 1289 OD2 ASP A 79 3.337 3.209 -4.618 1.00 0.00 O ATOM 0 H ASP A 79 0.656 1.730 -4.183 1.00 0.00 H new ATOM 0 HA ASP A 79 2.684 -0.197 -4.784 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.247 1.973 -2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.562 0.835 -2.517 1.00 0.00 H new ATOM 1294 N LEU A 80 0.983 -0.575 -1.964 1.00 0.00 N ATOM 1295 CA LEU A 80 0.592 -1.555 -0.957 1.00 0.00 C ATOM 1296 C LEU A 80 0.391 -2.930 -1.585 1.00 0.00 C ATOM 1297 O LEU A 80 0.823 -3.943 -1.036 1.00 0.00 O ATOM 1298 CB LEU A 80 -0.692 -1.110 -0.255 1.00 0.00 C ATOM 1299 CG LEU A 80 -1.179 -2.006 0.884 1.00 0.00 C ATOM 1300 CD1 LEU A 80 -0.242 -1.910 2.078 1.00 0.00 C ATOM 1301 CD2 LEU A 80 -2.598 -1.632 1.287 1.00 0.00 C ATOM 0 H LEU A 80 0.609 0.361 -1.809 1.00 0.00 H new ATOM 0 HA LEU A 80 1.395 -1.625 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.537 -0.106 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.484 -1.041 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.182 -3.038 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.605 -2.555 2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.758 -2.227 1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.206 -0.879 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.928 -2.280 2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.620 -0.594 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.263 -1.754 0.432 1.00 0.00 H new ATOM 1313 N GLU A 81 -0.267 -2.957 -2.740 1.00 0.00 N ATOM 1314 CA GLU A 81 -0.524 -4.208 -3.443 1.00 0.00 C ATOM 1315 C GLU A 81 0.784 -4.889 -3.839 1.00 0.00 C ATOM 1316 O GLU A 81 1.036 -6.037 -3.473 1.00 0.00 O ATOM 1317 CB GLU A 81 -1.376 -3.954 -4.688 1.00 0.00 C ATOM 1318 CG GLU A 81 -1.693 -5.213 -5.477 1.00 0.00 C ATOM 1319 CD GLU A 81 -2.596 -4.946 -6.665 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -2.197 -4.156 -7.547 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -3.701 -5.525 -6.714 1.00 0.00 O ATOM 0 H GLU A 81 -0.631 -2.127 -3.208 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.068 -4.869 -2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.310 -3.479 -4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.855 -3.250 -5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.763 -5.662 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.170 -5.939 -4.819 1.00 0.00 H new ATOM 1328 N LYS A 82 1.612 -4.172 -4.590 1.00 0.00 N ATOM 1329 CA LYS A 82 2.895 -4.703 -5.037 1.00 0.00 C ATOM 1330 C LYS A 82 3.500 -5.623 -3.981 1.00 0.00 C ATOM 1331 O LYS A 82 3.928 -6.736 -4.286 1.00 0.00 O ATOM 1332 CB LYS A 82 3.864 -3.560 -5.348 1.00 0.00 C ATOM 1333 CG LYS A 82 3.791 -3.075 -6.785 1.00 0.00 C ATOM 1334 CD LYS A 82 3.938 -4.223 -7.769 1.00 0.00 C ATOM 1335 CE LYS A 82 4.398 -3.733 -9.133 1.00 0.00 C ATOM 1336 NZ LYS A 82 5.852 -3.410 -9.145 1.00 0.00 N ATOM 0 H LYS A 82 1.418 -3.221 -4.903 1.00 0.00 H new ATOM 0 HA LYS A 82 2.724 -5.282 -5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.653 -2.725 -4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.881 -3.889 -5.136 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.839 -2.571 -6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.576 -2.340 -6.962 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.655 -4.947 -7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.984 -4.741 -7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.189 -4.496 -9.882 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.827 -2.848 -9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.159 -3.227 -10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.025 -2.565 -8.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.389 -4.212 -8.758 1.00 0.00 H new ATOM 1350 N ASP A 83 3.529 -5.152 -2.739 1.00 0.00 N ATOM 1351 CA ASP A 83 4.079 -5.934 -1.638 1.00 0.00 C ATOM 1352 C ASP A 83 3.137 -7.070 -1.254 1.00 0.00 C ATOM 1353 O ASP A 83 3.529 -8.237 -1.236 1.00 0.00 O ATOM 1354 CB ASP A 83 4.336 -5.036 -0.426 1.00 0.00 C ATOM 1355 CG ASP A 83 5.221 -5.702 0.610 1.00 0.00 C ATOM 1356 OD1 ASP A 83 4.851 -6.792 1.095 1.00 0.00 O ATOM 1357 OD2 ASP A 83 6.284 -5.133 0.934 1.00 0.00 O ATOM 0 H ASP A 83 3.178 -4.233 -2.470 1.00 0.00 H new ATOM 0 HA ASP A 83 5.024 -6.366 -1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.803 -4.109 -0.757 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.384 -4.767 0.032 1.00 0.00 H new ATOM 1362 N VAL A 84 1.891 -6.721 -0.947 1.00 0.00 N ATOM 1363 CA VAL A 84 0.892 -7.711 -0.564 1.00 0.00 C ATOM 1364 C VAL A 84 1.009 -8.969 -1.417 1.00 0.00 C ATOM 1365 O VAL A 84 1.198 -10.068 -0.898 1.00 0.00 O ATOM 1366 CB VAL A 84 -0.535 -7.147 -0.692 1.00 0.00 C ATOM 1367 CG1 VAL A 84 -1.564 -8.219 -0.367 1.00 0.00 C ATOM 1368 CG2 VAL A 84 -0.712 -5.935 0.209 1.00 0.00 C ATOM 0 H VAL A 84 1.550 -5.760 -0.956 1.00 0.00 H new ATOM 0 HA VAL A 84 1.082 -7.965 0.479 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.690 -6.829 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.567 -7.802 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.451 -9.054 -1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.413 -8.571 0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.726 -5.550 0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.537 -6.224 1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.001 -5.162 -0.077 1.00 0.00 H new ATOM 1378 N MET A 85 0.896 -8.798 -2.731 1.00 0.00 N ATOM 1379 CA MET A 85 0.991 -9.920 -3.657 1.00 0.00 C ATOM 1380 C MET A 85 2.306 -10.670 -3.471 1.00 0.00 C ATOM 1381 O MET A 85 2.334 -11.901 -3.454 1.00 0.00 O ATOM 1382 CB MET A 85 0.870 -9.429 -5.101 1.00 0.00 C ATOM 1383 CG MET A 85 -0.509 -8.892 -5.447 1.00 0.00 C ATOM 1384 SD MET A 85 -1.807 -10.127 -5.242 1.00 0.00 S ATOM 1385 CE MET A 85 -2.375 -9.750 -3.585 1.00 0.00 C ATOM 0 H MET A 85 0.739 -7.894 -3.177 1.00 0.00 H new ATOM 0 HA MET A 85 0.170 -10.605 -3.444 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.609 -8.647 -5.273 1.00 0.00 H new ATOM 0 HB3 MET A 85 1.111 -10.250 -5.777 1.00 0.00 H new ATOM 0 HG2 MET A 85 -0.729 -8.031 -4.815 1.00 0.00 H new ATOM 0 HG3 MET A 85 -0.509 -8.538 -6.478 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.065 -10.543 -2.905 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.944 -8.803 -3.259 1.00 0.00 H new ATOM 0 HE3 MET A 85 -3.462 -9.674 -3.582 1.00 0.00 H new ATOM 1395 N LEU A 86 3.394 -9.920 -3.333 1.00 0.00 N ATOM 1396 CA LEU A 86 4.714 -10.513 -3.149 1.00 0.00 C ATOM 1397 C LEU A 86 4.725 -11.454 -1.948 1.00 0.00 C ATOM 1398 O LEU A 86 5.182 -12.594 -2.043 1.00 0.00 O ATOM 1399 CB LEU A 86 5.766 -9.418 -2.962 1.00 0.00 C ATOM 1400 CG LEU A 86 7.224 -9.877 -2.988 1.00 0.00 C ATOM 1401 CD1 LEU A 86 7.549 -10.547 -4.314 1.00 0.00 C ATOM 1402 CD2 LEU A 86 8.158 -8.701 -2.740 1.00 0.00 C ATOM 0 H LEU A 86 3.388 -8.900 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 86 4.954 -11.090 -4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.627 -8.671 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.579 -8.921 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 86 7.370 -10.606 -2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.591 -10.867 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.903 -11.414 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.386 -9.841 -5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.192 -9.046 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.010 -7.949 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.942 -8.264 -1.765 1.00 0.00 H new ATOM 1414 N LEU A 87 4.216 -10.971 -0.820 1.00 0.00 N ATOM 1415 CA LEU A 87 4.165 -11.770 0.399 1.00 0.00 C ATOM 1416 C LEU A 87 3.555 -13.141 0.127 1.00 0.00 C ATOM 1417 O LEU A 87 3.962 -14.141 0.719 1.00 0.00 O ATOM 1418 CB LEU A 87 3.355 -11.043 1.475 1.00 0.00 C ATOM 1419 CG LEU A 87 2.805 -11.915 2.604 1.00 0.00 C ATOM 1420 CD1 LEU A 87 2.696 -11.114 3.892 1.00 0.00 C ATOM 1421 CD2 LEU A 87 1.451 -12.495 2.219 1.00 0.00 C ATOM 0 H LEU A 87 3.833 -10.031 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 87 5.186 -11.911 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.984 -10.269 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.518 -10.538 0.992 1.00 0.00 H new ATOM 0 HG LEU A 87 3.498 -12.740 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.303 -11.751 4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.682 -10.747 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.025 -10.269 3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.075 -13.113 3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.749 -11.684 2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.558 -13.104 1.322 1.00 0.00 H new ATOM 1433 N CYS A 88 2.579 -13.180 -0.773 1.00 0.00 N ATOM 1434 CA CYS A 88 1.914 -14.430 -1.125 1.00 0.00 C ATOM 1435 C CYS A 88 2.815 -15.299 -1.996 1.00 0.00 C ATOM 1436 O CYS A 88 2.866 -16.518 -1.832 1.00 0.00 O ATOM 1437 CB CYS A 88 0.600 -14.144 -1.855 1.00 0.00 C ATOM 1438 SG CYS A 88 -0.665 -13.368 -0.822 1.00 0.00 S ATOM 0 H CYS A 88 2.231 -12.361 -1.272 1.00 0.00 H new ATOM 0 HA CYS A 88 1.699 -14.971 -0.203 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.804 -13.497 -2.708 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.206 -15.080 -2.252 1.00 0.00 H new ATOM 0 HG CYS A 88 -1.424 -12.613 -1.559 1.00 0.00 H new ATOM 1444 N HIS A 89 3.523 -14.664 -2.925 1.00 0.00 N ATOM 1445 CA HIS A 89 4.421 -15.380 -3.824 1.00 0.00 C ATOM 1446 C HIS A 89 5.470 -16.159 -3.036 1.00 0.00 C ATOM 1447 O HIS A 89 5.527 -17.386 -3.106 1.00 0.00 O ATOM 1448 CB HIS A 89 5.107 -14.402 -4.779 1.00 0.00 C ATOM 1449 CG HIS A 89 5.559 -15.033 -6.059 1.00 0.00 C ATOM 1450 ND1 HIS A 89 4.721 -15.235 -7.136 1.00 0.00 N ATOM 1451 CD2 HIS A 89 6.770 -15.507 -6.434 1.00 0.00 C ATOM 1452 CE1 HIS A 89 5.397 -15.807 -8.116 1.00 0.00 C ATOM 1453 NE2 HIS A 89 6.643 -15.983 -7.716 1.00 0.00 N ATOM 0 H HIS A 89 3.492 -13.656 -3.075 1.00 0.00 H new ATOM 0 HA HIS A 89 3.828 -16.087 -4.404 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.419 -13.588 -5.008 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.968 -13.961 -4.277 1.00 0.00 H new ATOM 0 HD2 HIS A 89 7.669 -15.510 -5.836 1.00 0.00 H new ATOM 0 HE1 HIS A 89 4.998 -16.084 -9.081 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.390 -16.404 -8.269 1.00 0.00 H new ATOM 1462 N ASN A 90 6.297 -15.438 -2.287 1.00 0.00 N ATOM 1463 CA ASN A 90 7.345 -16.062 -1.487 1.00 0.00 C ATOM 1464 C ASN A 90 6.868 -17.391 -0.907 1.00 0.00 C ATOM 1465 O ASN A 90 7.582 -18.391 -0.952 1.00 0.00 O ATOM 1466 CB ASN A 90 7.779 -15.126 -0.357 1.00 0.00 C ATOM 1467 CG ASN A 90 8.278 -13.790 -0.872 1.00 0.00 C ATOM 1468 OD1 ASN A 90 9.005 -13.727 -1.863 1.00 0.00 O ATOM 1469 ND2 ASN A 90 7.888 -12.714 -0.199 1.00 0.00 N ATOM 0 H ASN A 90 6.262 -14.421 -2.217 1.00 0.00 H new ATOM 0 HA ASN A 90 8.198 -16.255 -2.138 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.939 -14.961 0.318 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.566 -15.605 0.225 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.192 -11.787 -0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.285 -12.814 0.617 1.00 0.00 H new ATOM 1476 N ALA A 91 5.655 -17.391 -0.364 1.00 0.00 N ATOM 1477 CA ALA A 91 5.081 -18.596 0.222 1.00 0.00 C ATOM 1478 C ALA A 91 4.878 -19.677 -0.834 1.00 0.00 C ATOM 1479 O ALA A 91 5.428 -20.773 -0.727 1.00 0.00 O ATOM 1480 CB ALA A 91 3.762 -18.273 0.909 1.00 0.00 C ATOM 0 H ALA A 91 5.051 -16.570 -0.318 1.00 0.00 H new ATOM 0 HA ALA A 91 5.781 -18.977 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.345 -19.182 1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.933 -17.541 1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.062 -17.864 0.180 1.00 0.00 H new ATOM 1486 N GLN A 92 4.085 -19.361 -1.853 1.00 0.00 N ATOM 1487 CA GLN A 92 3.809 -20.307 -2.928 1.00 0.00 C ATOM 1488 C GLN A 92 5.097 -20.946 -3.435 1.00 0.00 C ATOM 1489 O GLN A 92 5.074 -22.014 -4.049 1.00 0.00 O ATOM 1490 CB GLN A 92 3.085 -19.607 -4.079 1.00 0.00 C ATOM 1491 CG GLN A 92 1.610 -19.359 -3.810 1.00 0.00 C ATOM 1492 CD GLN A 92 0.832 -19.040 -5.071 1.00 0.00 C ATOM 1493 OE1 GLN A 92 1.344 -19.180 -6.182 1.00 0.00 O ATOM 1494 NE2 GLN A 92 -0.413 -18.609 -4.906 1.00 0.00 N ATOM 0 H GLN A 92 3.623 -18.458 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 92 3.168 -21.093 -2.530 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.574 -18.654 -4.279 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.185 -20.211 -4.981 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.178 -20.240 -3.334 1.00 0.00 H new ATOM 0 HG3 GLN A 92 1.507 -18.534 -3.106 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.797 -18.508 -3.967 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.985 -18.379 -5.719 1.00 0.00 H new ATOM 1503 N THR A 93 6.222 -20.286 -3.175 1.00 0.00 N ATOM 1504 CA THR A 93 7.520 -20.789 -3.606 1.00 0.00 C ATOM 1505 C THR A 93 8.137 -21.696 -2.548 1.00 0.00 C ATOM 1506 O THR A 93 8.569 -22.810 -2.846 1.00 0.00 O ATOM 1507 CB THR A 93 8.495 -19.636 -3.910 1.00 0.00 C ATOM 1508 OG1 THR A 93 8.010 -18.862 -5.012 1.00 0.00 O ATOM 1509 CG2 THR A 93 9.882 -20.172 -4.231 1.00 0.00 C ATOM 0 H THR A 93 6.260 -19.402 -2.668 1.00 0.00 H new ATOM 0 HA THR A 93 7.351 -21.362 -4.517 1.00 0.00 H new ATOM 0 HB THR A 93 8.563 -19.003 -3.025 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.635 -18.130 -5.198 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.554 -19.340 -4.442 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.260 -20.736 -3.379 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.827 -20.824 -5.102 1.00 0.00 H new ATOM 1517 N PHE A 94 8.176 -21.213 -1.311 1.00 0.00 N ATOM 1518 CA PHE A 94 8.742 -21.981 -0.207 1.00 0.00 C ATOM 1519 C PHE A 94 7.917 -23.237 0.060 1.00 0.00 C ATOM 1520 O PHE A 94 8.425 -24.354 -0.017 1.00 0.00 O ATOM 1521 CB PHE A 94 8.810 -21.123 1.058 1.00 0.00 C ATOM 1522 CG PHE A 94 9.943 -21.491 1.972 1.00 0.00 C ATOM 1523 CD1 PHE A 94 11.218 -21.695 1.469 1.00 0.00 C ATOM 1524 CD2 PHE A 94 9.734 -21.634 3.334 1.00 0.00 C ATOM 1525 CE1 PHE A 94 12.263 -22.034 2.307 1.00 0.00 C ATOM 1526 CE2 PHE A 94 10.775 -21.972 4.177 1.00 0.00 C ATOM 1527 CZ PHE A 94 12.041 -22.173 3.663 1.00 0.00 C ATOM 0 H PHE A 94 7.823 -20.293 -1.047 1.00 0.00 H new ATOM 0 HA PHE A 94 9.751 -22.283 -0.487 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.910 -20.076 0.772 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.870 -21.217 1.602 1.00 0.00 H new ATOM 0 HD1 PHE A 94 11.397 -21.588 0.409 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.746 -21.479 3.741 1.00 0.00 H new ATOM 0 HE1 PHE A 94 13.252 -22.190 1.902 1.00 0.00 H new ATOM 0 HE2 PHE A 94 10.599 -22.079 5.237 1.00 0.00 H new ATOM 0 HZ PHE A 94 12.856 -22.438 4.320 1.00 0.00 H new ATOM 1537 N ASN A 95 6.640 -23.043 0.375 1.00 0.00 N ATOM 1538 CA ASN A 95 5.744 -24.159 0.655 1.00 0.00 C ATOM 1539 C ASN A 95 5.323 -24.855 -0.635 1.00 0.00 C ATOM 1540 O ASN A 95 4.986 -24.203 -1.624 1.00 0.00 O ATOM 1541 CB ASN A 95 4.508 -23.670 1.412 1.00 0.00 C ATOM 1542 CG ASN A 95 4.137 -22.244 1.053 1.00 0.00 C ATOM 1543 OD1 ASN A 95 4.670 -21.287 1.804 1.00 0.00 O flip ATOM 1544 ND2 ASN A 95 3.381 -22.005 0.111 1.00 0.00 N flip ATOM 0 H ASN A 95 6.203 -22.124 0.443 1.00 0.00 H new ATOM 0 HA ASN A 95 6.281 -24.877 1.275 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.667 -24.328 1.192 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.692 -23.736 2.484 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.994 -22.772 -0.440 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.142 -21.040 -0.119 1.00 0.00 H new ATOM 1551 N LEU A 96 5.343 -26.184 -0.618 1.00 0.00 N ATOM 1552 CA LEU A 96 4.962 -26.970 -1.786 1.00 0.00 C ATOM 1553 C LEU A 96 3.599 -26.534 -2.315 1.00 0.00 C ATOM 1554 O LEU A 96 2.919 -25.713 -1.701 1.00 0.00 O ATOM 1555 CB LEU A 96 4.934 -28.459 -1.436 1.00 0.00 C ATOM 1556 CG LEU A 96 6.245 -29.220 -1.634 1.00 0.00 C ATOM 1557 CD1 LEU A 96 6.682 -29.161 -3.090 1.00 0.00 C ATOM 1558 CD2 LEU A 96 7.330 -28.657 -0.727 1.00 0.00 C ATOM 0 H LEU A 96 5.619 -26.739 0.192 1.00 0.00 H new ATOM 0 HA LEU A 96 5.705 -26.800 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.632 -28.561 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.164 -28.939 -2.040 1.00 0.00 H new ATOM 0 HG LEU A 96 6.081 -30.264 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.617 -29.708 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.914 -29.611 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.829 -28.122 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.256 -29.210 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.492 -27.605 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.020 -28.752 0.314 1.00 0.00 H new ATOM 1570 N GLU A 97 3.207 -27.092 -3.456 1.00 0.00 N ATOM 1571 CA GLU A 97 1.924 -26.761 -4.066 1.00 0.00 C ATOM 1572 C GLU A 97 0.786 -27.513 -3.381 1.00 0.00 C ATOM 1573 O GLU A 97 1.018 -28.445 -2.613 1.00 0.00 O ATOM 1574 CB GLU A 97 1.944 -27.094 -5.559 1.00 0.00 C ATOM 1575 CG GLU A 97 2.786 -26.137 -6.385 1.00 0.00 C ATOM 1576 CD GLU A 97 4.224 -26.597 -6.525 1.00 0.00 C ATOM 1577 OE1 GLU A 97 4.443 -27.715 -7.037 1.00 0.00 O ATOM 1578 OE2 GLU A 97 5.131 -25.838 -6.123 1.00 0.00 O ATOM 0 H GLU A 97 3.758 -27.774 -3.976 1.00 0.00 H new ATOM 0 HA GLU A 97 1.756 -25.691 -3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 97 2.325 -28.107 -5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.922 -27.085 -5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.344 -26.032 -7.376 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.768 -25.150 -5.922 1.00 0.00 H new ATOM 1585 N GLY A 98 -0.445 -27.098 -3.665 1.00 0.00 N ATOM 1586 CA GLY A 98 -1.600 -27.741 -3.069 1.00 0.00 C ATOM 1587 C GLY A 98 -1.355 -28.157 -1.632 1.00 0.00 C ATOM 1588 O GLY A 98 -1.959 -29.112 -1.143 1.00 0.00 O ATOM 0 H GLY A 98 -0.662 -26.328 -4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.451 -27.061 -3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.867 -28.619 -3.658 1.00 0.00 H new ATOM 1592 N SER A 99 -0.465 -27.440 -0.954 1.00 0.00 N ATOM 1593 CA SER A 99 -0.137 -27.744 0.434 1.00 0.00 C ATOM 1594 C SER A 99 -1.019 -26.944 1.388 1.00 0.00 C ATOM 1595 O SER A 99 -1.804 -26.098 0.961 1.00 0.00 O ATOM 1596 CB SER A 99 1.337 -27.441 0.710 1.00 0.00 C ATOM 1597 OG SER A 99 1.823 -28.215 1.793 1.00 0.00 O ATOM 0 H SER A 99 0.042 -26.645 -1.343 1.00 0.00 H new ATOM 0 HA SER A 99 -0.320 -28.806 0.601 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.927 -27.648 -0.183 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.458 -26.381 0.933 1.00 0.00 H new ATOM 0 HG SER A 99 2.767 -28.004 1.948 1.00 0.00 H new ATOM 1603 N GLN A 100 -0.882 -27.219 2.681 1.00 0.00 N ATOM 1604 CA GLN A 100 -1.667 -26.526 3.696 1.00 0.00 C ATOM 1605 C GLN A 100 -1.415 -25.023 3.647 1.00 0.00 C ATOM 1606 O GLN A 100 -2.353 -24.225 3.674 1.00 0.00 O ATOM 1607 CB GLN A 100 -1.331 -27.066 5.088 1.00 0.00 C ATOM 1608 CG GLN A 100 -2.467 -26.922 6.087 1.00 0.00 C ATOM 1609 CD GLN A 100 -3.743 -27.595 5.621 1.00 0.00 C ATOM 1610 OE1 GLN A 100 -3.714 -28.708 5.093 1.00 0.00 O ATOM 1611 NE2 GLN A 100 -4.872 -26.923 5.813 1.00 0.00 N ATOM 0 H GLN A 100 -0.235 -27.916 3.050 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.722 -26.706 3.489 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.063 -28.119 5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.454 -26.543 5.470 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.163 -27.351 7.042 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.661 -25.864 6.260 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.850 -26.004 6.254 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.762 -27.326 5.519 1.00 0.00 H new ATOM 1620 N ILE A 101 -0.144 -24.643 3.574 1.00 0.00 N ATOM 1621 CA ILE A 101 0.230 -23.235 3.520 1.00 0.00 C ATOM 1622 C ILE A 101 -0.003 -22.657 2.128 1.00 0.00 C ATOM 1623 O ILE A 101 -0.273 -21.466 1.976 1.00 0.00 O ATOM 1624 CB ILE A 101 1.706 -23.029 3.908 1.00 0.00 C ATOM 1625 CG1 ILE A 101 1.930 -23.418 5.371 1.00 0.00 C ATOM 1626 CG2 ILE A 101 2.121 -21.585 3.668 1.00 0.00 C ATOM 1627 CD1 ILE A 101 3.333 -23.136 5.863 1.00 0.00 C ATOM 0 H ILE A 101 0.644 -25.290 3.551 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.402 -22.713 4.238 1.00 0.00 H new ATOM 0 HB ILE A 101 2.324 -23.672 3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.219 -22.877 5.995 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.717 -24.480 5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.167 -21.456 3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.994 -21.340 2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 101 1.500 -20.923 4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.420 -23.436 6.907 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.049 -23.698 5.263 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.543 -22.070 5.774 1.00 0.00 H new ATOM 1639 N TYR A 102 0.100 -23.510 1.115 1.00 0.00 N ATOM 1640 CA TYR A 102 -0.099 -23.085 -0.266 1.00 0.00 C ATOM 1641 C TYR A 102 -1.493 -22.497 -0.459 1.00 0.00 C ATOM 1642 O TYR A 102 -1.648 -21.295 -0.668 1.00 0.00 O ATOM 1643 CB TYR A 102 0.107 -24.263 -1.219 1.00 0.00 C ATOM 1644 CG TYR A 102 0.373 -23.846 -2.648 1.00 0.00 C ATOM 1645 CD1 TYR A 102 1.657 -23.524 -3.071 1.00 0.00 C ATOM 1646 CD2 TYR A 102 -0.659 -23.776 -3.575 1.00 0.00 C ATOM 1647 CE1 TYR A 102 1.904 -23.142 -4.375 1.00 0.00 C ATOM 1648 CE2 TYR A 102 -0.421 -23.396 -4.882 1.00 0.00 C ATOM 1649 CZ TYR A 102 0.862 -23.080 -5.277 1.00 0.00 C ATOM 1650 OH TYR A 102 1.105 -22.701 -6.577 1.00 0.00 O ATOM 0 H TYR A 102 0.320 -24.500 1.224 1.00 0.00 H new ATOM 0 HA TYR A 102 0.636 -22.312 -0.491 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.943 -24.865 -0.863 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.778 -24.899 -1.194 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.476 -23.573 -2.368 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.665 -24.023 -3.269 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.908 -22.893 -4.687 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.235 -23.347 -5.590 1.00 0.00 H new ATOM 0 HH TYR A 102 0.266 -22.710 -7.083 1.00 0.00 H new ATOM 1660 N GLU A 103 -2.506 -23.356 -0.386 1.00 0.00 N ATOM 1661 CA GLU A 103 -3.888 -22.923 -0.553 1.00 0.00 C ATOM 1662 C GLU A 103 -4.129 -21.590 0.151 1.00 0.00 C ATOM 1663 O GLU A 103 -4.697 -20.664 -0.428 1.00 0.00 O ATOM 1664 CB GLU A 103 -4.847 -23.982 -0.006 1.00 0.00 C ATOM 1665 CG GLU A 103 -4.768 -25.311 -0.737 1.00 0.00 C ATOM 1666 CD GLU A 103 -5.245 -26.473 0.111 1.00 0.00 C ATOM 1667 OE1 GLU A 103 -6.422 -26.459 0.528 1.00 0.00 O ATOM 1668 OE2 GLU A 103 -4.442 -27.397 0.359 1.00 0.00 O ATOM 0 H GLU A 103 -2.395 -24.355 -0.212 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.074 -22.790 -1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.631 -24.145 1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.867 -23.603 -0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.369 -25.258 -1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.738 -25.491 -1.046 1.00 0.00 H new ATOM 1675 N ASP A 104 -3.694 -21.502 1.403 1.00 0.00 N ATOM 1676 CA ASP A 104 -3.862 -20.284 2.187 1.00 0.00 C ATOM 1677 C ASP A 104 -3.436 -19.058 1.384 1.00 0.00 C ATOM 1678 O ASP A 104 -4.188 -18.091 1.264 1.00 0.00 O ATOM 1679 CB ASP A 104 -3.051 -20.369 3.481 1.00 0.00 C ATOM 1680 CG ASP A 104 -3.636 -21.360 4.467 1.00 0.00 C ATOM 1681 OD1 ASP A 104 -4.288 -22.327 4.021 1.00 0.00 O ATOM 1682 OD2 ASP A 104 -3.442 -21.168 5.686 1.00 0.00 O ATOM 0 H ASP A 104 -3.222 -22.260 1.897 1.00 0.00 H new ATOM 0 HA ASP A 104 -4.918 -20.184 2.436 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -2.026 -20.657 3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -3.007 -19.383 3.944 1.00 0.00 H new ATOM 1687 N SER A 105 -2.225 -19.107 0.838 1.00 0.00 N ATOM 1688 CA SER A 105 -1.697 -17.998 0.051 1.00 0.00 C ATOM 1689 C SER A 105 -2.671 -17.606 -1.056 1.00 0.00 C ATOM 1690 O SER A 105 -2.844 -16.424 -1.355 1.00 0.00 O ATOM 1691 CB SER A 105 -0.344 -18.375 -0.555 1.00 0.00 C ATOM 1692 OG SER A 105 -0.508 -19.126 -1.745 1.00 0.00 O ATOM 0 H SER A 105 -1.592 -19.902 0.926 1.00 0.00 H new ATOM 0 HA SER A 105 -1.565 -17.143 0.715 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.227 -17.471 -0.768 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.232 -18.953 0.167 1.00 0.00 H new ATOM 0 HG SER A 105 -0.650 -20.069 -1.520 1.00 0.00 H new ATOM 1698 N ILE A 106 -3.303 -18.606 -1.661 1.00 0.00 N ATOM 1699 CA ILE A 106 -4.260 -18.366 -2.734 1.00 0.00 C ATOM 1700 C ILE A 106 -5.516 -17.681 -2.208 1.00 0.00 C ATOM 1701 O ILE A 106 -6.052 -16.771 -2.842 1.00 0.00 O ATOM 1702 CB ILE A 106 -4.660 -19.678 -3.435 1.00 0.00 C ATOM 1703 CG1 ILE A 106 -3.523 -20.171 -4.332 1.00 0.00 C ATOM 1704 CG2 ILE A 106 -5.932 -19.479 -4.245 1.00 0.00 C ATOM 1705 CD1 ILE A 106 -2.515 -21.037 -3.609 1.00 0.00 C ATOM 0 H ILE A 106 -3.170 -19.590 -1.427 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.768 -17.713 -3.455 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.851 -20.435 -2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.945 -20.736 -5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.010 -19.310 -4.760 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.202 -20.415 -4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -6.740 -19.170 -3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.766 -18.710 -4.999 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.738 -21.350 -4.306 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.065 -20.469 -2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.015 -21.917 -3.204 1.00 0.00 H new ATOM 1717 N VAL A 107 -5.981 -18.121 -1.043 1.00 0.00 N ATOM 1718 CA VAL A 107 -7.172 -17.548 -0.429 1.00 0.00 C ATOM 1719 C VAL A 107 -6.959 -16.079 -0.082 1.00 0.00 C ATOM 1720 O VAL A 107 -7.739 -15.215 -0.485 1.00 0.00 O ATOM 1721 CB VAL A 107 -7.569 -18.314 0.848 1.00 0.00 C ATOM 1722 CG1 VAL A 107 -8.776 -17.663 1.507 1.00 0.00 C ATOM 1723 CG2 VAL A 107 -7.849 -19.774 0.528 1.00 0.00 C ATOM 0 H VAL A 107 -5.550 -18.873 -0.505 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.977 -17.632 -1.159 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.736 -18.273 1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -9.042 -18.217 2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -8.535 -16.634 1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.617 -17.671 0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.128 -20.300 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.665 -19.839 -0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.955 -20.232 0.105 1.00 0.00 H new ATOM 1733 N LEU A 108 -5.898 -15.802 0.668 1.00 0.00 N ATOM 1734 CA LEU A 108 -5.581 -14.436 1.069 1.00 0.00 C ATOM 1735 C LEU A 108 -5.923 -13.448 -0.042 1.00 0.00 C ATOM 1736 O LEU A 108 -6.731 -12.540 0.151 1.00 0.00 O ATOM 1737 CB LEU A 108 -4.099 -14.321 1.431 1.00 0.00 C ATOM 1738 CG LEU A 108 -3.673 -14.989 2.739 1.00 0.00 C ATOM 1739 CD1 LEU A 108 -2.160 -15.128 2.799 1.00 0.00 C ATOM 1740 CD2 LEU A 108 -4.186 -14.198 3.933 1.00 0.00 C ATOM 0 H LEU A 108 -5.243 -16.505 1.011 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.183 -14.192 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.513 -14.751 0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.840 -13.264 1.485 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.110 -15.987 2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -1.875 -15.605 3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.817 -15.737 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.701 -14.141 2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.874 -14.688 4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.778 -13.188 3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.274 -14.151 3.898 1.00 0.00 H new ATOM 1752 N GLN A 109 -5.305 -13.635 -1.203 1.00 0.00 N ATOM 1753 CA GLN A 109 -5.546 -12.761 -2.345 1.00 0.00 C ATOM 1754 C GLN A 109 -7.034 -12.464 -2.499 1.00 0.00 C ATOM 1755 O GLN A 109 -7.450 -11.306 -2.488 1.00 0.00 O ATOM 1756 CB GLN A 109 -5.006 -13.399 -3.626 1.00 0.00 C ATOM 1757 CG GLN A 109 -3.492 -13.330 -3.749 1.00 0.00 C ATOM 1758 CD GLN A 109 -2.937 -14.365 -4.707 1.00 0.00 C ATOM 1759 OE1 GLN A 109 -3.688 -15.082 -5.368 1.00 0.00 O ATOM 1760 NE2 GLN A 109 -1.614 -14.448 -4.787 1.00 0.00 N ATOM 0 H GLN A 109 -4.634 -14.383 -1.378 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.023 -11.821 -2.167 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -5.318 -14.443 -3.661 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.455 -12.903 -4.486 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -3.204 -12.335 -4.088 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -3.044 -13.474 -2.766 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -1.029 -13.834 -4.220 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.183 -15.126 -5.415 1.00 0.00 H new ATOM 1769 N SER A 110 -7.831 -13.518 -2.644 1.00 0.00 N ATOM 1770 CA SER A 110 -9.273 -13.370 -2.804 1.00 0.00 C ATOM 1771 C SER A 110 -9.839 -12.407 -1.766 1.00 0.00 C ATOM 1772 O SER A 110 -10.834 -11.726 -2.011 1.00 0.00 O ATOM 1773 CB SER A 110 -9.963 -14.730 -2.684 1.00 0.00 C ATOM 1774 OG SER A 110 -11.252 -14.702 -3.272 1.00 0.00 O ATOM 0 H SER A 110 -7.503 -14.484 -2.654 1.00 0.00 H new ATOM 0 HA SER A 110 -9.463 -12.960 -3.796 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.355 -15.494 -3.169 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.045 -15.008 -1.633 1.00 0.00 H new ATOM 0 HG SER A 110 -11.671 -15.583 -3.183 1.00 0.00 H new ATOM 1780 N VAL A 111 -9.196 -12.355 -0.603 1.00 0.00 N ATOM 1781 CA VAL A 111 -9.634 -11.475 0.474 1.00 0.00 C ATOM 1782 C VAL A 111 -9.135 -10.051 0.257 1.00 0.00 C ATOM 1783 O VAL A 111 -9.875 -9.086 0.448 1.00 0.00 O ATOM 1784 CB VAL A 111 -9.141 -11.977 1.844 1.00 0.00 C ATOM 1785 CG1 VAL A 111 -9.818 -11.208 2.969 1.00 0.00 C ATOM 1786 CG2 VAL A 111 -9.389 -13.471 1.984 1.00 0.00 C ATOM 0 H VAL A 111 -8.370 -12.912 -0.383 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.724 -11.480 0.464 1.00 0.00 H new ATOM 0 HB VAL A 111 -8.067 -11.802 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -9.458 -11.576 3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.585 -10.147 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.897 -11.349 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -9.035 -13.809 2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.457 -13.672 1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.854 -14.004 1.198 1.00 0.00 H new ATOM 1796 N PHE A 112 -7.874 -9.927 -0.144 1.00 0.00 N ATOM 1797 CA PHE A 112 -7.274 -8.620 -0.387 1.00 0.00 C ATOM 1798 C PHE A 112 -7.978 -7.904 -1.536 1.00 0.00 C ATOM 1799 O PHE A 112 -8.453 -6.778 -1.384 1.00 0.00 O ATOM 1800 CB PHE A 112 -5.784 -8.769 -0.701 1.00 0.00 C ATOM 1801 CG PHE A 112 -5.133 -7.490 -1.143 1.00 0.00 C ATOM 1802 CD1 PHE A 112 -4.698 -6.561 -0.212 1.00 0.00 C ATOM 1803 CD2 PHE A 112 -4.957 -7.216 -2.490 1.00 0.00 C ATOM 1804 CE1 PHE A 112 -4.099 -5.382 -0.616 1.00 0.00 C ATOM 1805 CE2 PHE A 112 -4.359 -6.039 -2.900 1.00 0.00 C ATOM 1806 CZ PHE A 112 -3.928 -5.122 -1.961 1.00 0.00 C ATOM 0 H PHE A 112 -7.248 -10.715 -0.308 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.389 -8.022 0.517 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.270 -9.142 0.185 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.659 -9.520 -1.481 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -4.828 -6.760 0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.291 -7.930 -3.228 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.765 -4.665 0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -4.229 -5.837 -3.953 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.458 -4.203 -2.279 1.00 0.00 H new ATOM 1816 N LYS A 113 -8.041 -8.564 -2.687 1.00 0.00 N ATOM 1817 CA LYS A 113 -8.687 -7.993 -3.863 1.00 0.00 C ATOM 1818 C LYS A 113 -10.038 -7.384 -3.500 1.00 0.00 C ATOM 1819 O LYS A 113 -10.268 -6.193 -3.710 1.00 0.00 O ATOM 1820 CB LYS A 113 -8.872 -9.065 -4.940 1.00 0.00 C ATOM 1821 CG LYS A 113 -7.658 -9.245 -5.834 1.00 0.00 C ATOM 1822 CD LYS A 113 -7.563 -10.665 -6.368 1.00 0.00 C ATOM 1823 CE LYS A 113 -6.354 -10.841 -7.273 1.00 0.00 C ATOM 1824 NZ LYS A 113 -6.259 -12.227 -7.808 1.00 0.00 N ATOM 0 H LYS A 113 -7.652 -9.496 -2.831 1.00 0.00 H new ATOM 0 HA LYS A 113 -8.045 -7.203 -4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.102 -10.015 -4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.732 -8.803 -5.557 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -7.712 -8.545 -6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -6.754 -9.005 -5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -7.500 -11.365 -5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -8.471 -10.908 -6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.415 -10.135 -8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.447 -10.603 -6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -5.422 -12.306 -8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -6.175 -12.899 -7.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -7.113 -12.446 -8.360 1.00 0.00 H new ATOM 1838 N SER A 114 -10.926 -8.208 -2.954 1.00 0.00 N ATOM 1839 CA SER A 114 -12.254 -7.750 -2.564 1.00 0.00 C ATOM 1840 C SER A 114 -12.161 -6.592 -1.576 1.00 0.00 C ATOM 1841 O SER A 114 -12.865 -5.590 -1.708 1.00 0.00 O ATOM 1842 CB SER A 114 -13.052 -8.900 -1.945 1.00 0.00 C ATOM 1843 OG SER A 114 -13.411 -9.858 -2.926 1.00 0.00 O ATOM 0 H SER A 114 -10.750 -9.196 -2.772 1.00 0.00 H new ATOM 0 HA SER A 114 -12.768 -7.401 -3.459 1.00 0.00 H new ATOM 0 HB2 SER A 114 -12.460 -9.378 -1.164 1.00 0.00 H new ATOM 0 HB3 SER A 114 -13.951 -8.508 -1.469 1.00 0.00 H new ATOM 0 HG SER A 114 -13.918 -10.583 -2.505 1.00 0.00 H new ATOM 1849 N ALA A 115 -11.288 -6.736 -0.585 1.00 0.00 N ATOM 1850 CA ALA A 115 -11.100 -5.702 0.425 1.00 0.00 C ATOM 1851 C ALA A 115 -10.962 -4.326 -0.217 1.00 0.00 C ATOM 1852 O ALA A 115 -11.660 -3.383 0.156 1.00 0.00 O ATOM 1853 CB ALA A 115 -9.880 -6.013 1.279 1.00 0.00 C ATOM 0 H ALA A 115 -10.699 -7.559 -0.460 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.983 -5.689 1.064 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.752 -5.232 2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.019 -6.974 1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -8.994 -6.056 0.646 1.00 0.00 H new ATOM 1859 N ARG A 116 -10.056 -4.218 -1.184 1.00 0.00 N ATOM 1860 CA ARG A 116 -9.825 -2.956 -1.877 1.00 0.00 C ATOM 1861 C ARG A 116 -11.096 -2.476 -2.571 1.00 0.00 C ATOM 1862 O ARG A 116 -11.580 -1.376 -2.308 1.00 0.00 O ATOM 1863 CB ARG A 116 -8.699 -3.111 -2.901 1.00 0.00 C ATOM 1864 CG ARG A 116 -8.130 -1.787 -3.385 1.00 0.00 C ATOM 1865 CD ARG A 116 -7.195 -1.983 -4.569 1.00 0.00 C ATOM 1866 NE ARG A 116 -7.176 -0.818 -5.449 1.00 0.00 N ATOM 1867 CZ ARG A 116 -8.220 -0.426 -6.171 1.00 0.00 C ATOM 1868 NH1 ARG A 116 -9.359 -1.101 -6.117 1.00 0.00 N ATOM 1869 NH2 ARG A 116 -8.125 0.645 -6.949 1.00 0.00 N ATOM 0 H ARG A 116 -9.470 -4.989 -1.505 1.00 0.00 H new ATOM 0 HA ARG A 116 -9.533 -2.212 -1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -7.897 -3.702 -2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -9.073 -3.671 -3.758 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -8.945 -1.122 -3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -7.592 -1.302 -2.571 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.186 -2.180 -4.206 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -7.506 -2.860 -5.136 1.00 0.00 H new ATOM 0 HE ARG A 116 -6.314 -0.276 -5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -9.436 -1.924 -5.520 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -10.159 -0.797 -6.673 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -7.250 1.168 -6.993 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -8.927 0.946 -7.503 1.00 0.00 H new ATOM 1883 N GLN A 117 -11.631 -3.309 -3.458 1.00 0.00 N ATOM 1884 CA GLN A 117 -12.845 -2.969 -4.190 1.00 0.00 C ATOM 1885 C GLN A 117 -13.910 -2.414 -3.250 1.00 0.00 C ATOM 1886 O GLN A 117 -14.325 -1.262 -3.377 1.00 0.00 O ATOM 1887 CB GLN A 117 -13.385 -4.198 -4.924 1.00 0.00 C ATOM 1888 CG GLN A 117 -12.632 -4.521 -6.205 1.00 0.00 C ATOM 1889 CD GLN A 117 -12.851 -5.948 -6.666 1.00 0.00 C ATOM 1890 OE1 GLN A 117 -13.966 -6.467 -6.610 1.00 0.00 O ATOM 1891 NE2 GLN A 117 -11.784 -6.592 -7.124 1.00 0.00 N ATOM 0 H GLN A 117 -11.243 -4.224 -3.687 1.00 0.00 H new ATOM 0 HA GLN A 117 -12.595 -2.200 -4.921 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -13.337 -5.059 -4.257 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -14.436 -4.036 -5.161 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -12.950 -3.836 -6.991 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -11.566 -4.353 -6.048 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.879 -6.123 -7.153 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.870 -7.556 -7.447 1.00 0.00 H new ATOM 1900 N SER A 118 -14.349 -3.242 -2.307 1.00 0.00 N ATOM 1901 CA SER A 118 -15.370 -2.836 -1.348 1.00 0.00 C ATOM 1902 C SER A 118 -14.935 -1.586 -0.589 1.00 0.00 C ATOM 1903 O SER A 118 -14.255 -1.672 0.433 1.00 0.00 O ATOM 1904 CB SER A 118 -15.655 -3.971 -0.363 1.00 0.00 C ATOM 1905 OG SER A 118 -16.449 -3.519 0.720 1.00 0.00 O ATOM 0 H SER A 118 -14.014 -4.198 -2.187 1.00 0.00 H new ATOM 0 HA SER A 118 -16.281 -2.607 -1.900 1.00 0.00 H new ATOM 0 HB2 SER A 118 -16.166 -4.784 -0.878 1.00 0.00 H new ATOM 0 HB3 SER A 118 -14.715 -4.374 0.014 1.00 0.00 H new ATOM 0 HG SER A 118 -16.618 -4.263 1.334 1.00 0.00 H new ATOM 1911 N GLY A 119 -15.333 -0.424 -1.098 1.00 0.00 N ATOM 1912 CA GLY A 119 -14.976 0.828 -0.456 1.00 0.00 C ATOM 1913 C GLY A 119 -16.180 1.711 -0.196 1.00 0.00 C ATOM 1914 O GLY A 119 -17.328 1.278 -0.301 1.00 0.00 O ATOM 0 H GLY A 119 -15.896 -0.327 -1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -14.473 0.618 0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -14.265 1.365 -1.084 1.00 0.00 H new ATOM 1918 N PRO A 120 -15.924 2.980 0.155 1.00 0.00 N ATOM 1919 CA PRO A 120 -16.984 3.952 0.440 1.00 0.00 C ATOM 1920 C PRO A 120 -17.756 4.351 -0.813 1.00 0.00 C ATOM 1921 O PRO A 120 -18.763 5.054 -0.735 1.00 0.00 O ATOM 1922 CB PRO A 120 -16.221 5.153 1.004 1.00 0.00 C ATOM 1923 CG PRO A 120 -14.852 5.037 0.428 1.00 0.00 C ATOM 1924 CD PRO A 120 -14.580 3.564 0.301 1.00 0.00 C ATOM 0 HA PRO A 120 -17.735 3.550 1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -16.693 6.092 0.716 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -16.195 5.130 2.093 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -14.794 5.530 -0.543 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -14.115 5.516 1.073 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -13.951 3.345 -0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -14.065 3.173 1.179 1.00 0.00 H new ATOM 1932 N SER A 121 -17.278 3.897 -1.967 1.00 0.00 N ATOM 1933 CA SER A 121 -17.922 4.210 -3.237 1.00 0.00 C ATOM 1934 C SER A 121 -18.787 3.045 -3.709 1.00 0.00 C ATOM 1935 O SER A 121 -19.997 3.186 -3.882 1.00 0.00 O ATOM 1936 CB SER A 121 -16.871 4.543 -4.298 1.00 0.00 C ATOM 1937 OG SER A 121 -17.481 4.891 -5.528 1.00 0.00 O ATOM 0 H SER A 121 -16.447 3.311 -2.049 1.00 0.00 H new ATOM 0 HA SER A 121 -18.563 5.078 -3.087 1.00 0.00 H new ATOM 0 HB2 SER A 121 -16.248 5.368 -3.951 1.00 0.00 H new ATOM 0 HB3 SER A 121 -16.213 3.686 -4.444 1.00 0.00 H new ATOM 0 HG SER A 121 -16.788 5.101 -6.189 1.00 0.00 H new ATOM 1943 N SER A 122 -18.155 1.894 -3.916 1.00 0.00 N ATOM 1944 CA SER A 122 -18.864 0.704 -4.372 1.00 0.00 C ATOM 1945 C SER A 122 -19.291 -0.161 -3.190 1.00 0.00 C ATOM 1946 O SER A 122 -18.462 -0.796 -2.540 1.00 0.00 O ATOM 1947 CB SER A 122 -17.982 -0.109 -5.321 1.00 0.00 C ATOM 1948 OG SER A 122 -18.056 0.394 -6.644 1.00 0.00 O ATOM 0 H SER A 122 -17.154 1.760 -3.775 1.00 0.00 H new ATOM 0 HA SER A 122 -19.758 1.027 -4.905 1.00 0.00 H new ATOM 0 HB2 SER A 122 -16.949 -0.081 -4.975 1.00 0.00 H new ATOM 0 HB3 SER A 122 -18.294 -1.153 -5.308 1.00 0.00 H new ATOM 0 HG SER A 122 -17.482 -0.142 -7.230 1.00 0.00 H new ATOM 1954 N GLY A 123 -20.593 -0.179 -2.918 1.00 0.00 N ATOM 1955 CA GLY A 123 -21.109 -0.968 -1.815 1.00 0.00 C ATOM 1956 C GLY A 123 -22.497 -1.512 -2.090 1.00 0.00 C ATOM 1957 O GLY A 123 -23.367 -0.791 -2.577 1.00 0.00 O ATOM 0 H GLY A 123 -21.299 0.339 -3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -20.430 -1.797 -1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -21.135 -0.355 -0.914 1.00 0.00 H new TER 1961 GLY A 123