USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 871 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 45 HIS :FLIP no HD1:sc= -0.836 X(o=-1.8,f=-1.3) USER MOD Set 1.2: A 49 ASN :FLIP amide:sc= -0.429 F(o=-2.5,f=-1.3) USER MOD Set 2.1: A 18 ASN : amide:sc= -5.31! C(o=-5.2!,f=-7.2!) USER MOD Set 2.2: A 90 THR OG1 : rot 180:sc= 0.0684 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 41:sc= 0.485 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 50:sc= 0.246 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 44:sc= 0.278 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl 174:sc= 0 (180deg=-0.0247) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 26:sc= -3.54! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 170:sc= 0.761 USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00192) USER MOD Single : A 47 TYR OH : rot 62:sc= 1.32 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 60 SER OG : rot 86:sc= 1.24 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0007) USER MOD Single : A 77 ASN : amide:sc= -0.0871 X(o=-0.087,f=-0.56) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -154:sc= -3.96! (180deg=-4.45!) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00488 USER MOD Single : A 105 ASN : amide:sc= -0.0559 X(o=-0.056,f=-0.35) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc= -0.289 K(o=-0.29,f=-1.8!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= -0.122 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.619 -28.231 -12.893 1.00 0.00 N ATOM 2 CA GLY A 1 -28.017 -27.021 -12.361 1.00 0.00 C ATOM 3 C GLY A 1 -26.577 -26.863 -12.853 1.00 0.00 C ATOM 4 O GLY A 1 -25.679 -27.568 -12.393 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.595 -28.315 -12.545 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.625 -28.188 -13.932 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.069 -29.057 -12.584 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.605 -26.155 -12.663 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.032 -27.052 -11.272 1.00 0.00 H new ATOM 8 N SER A 2 -26.400 -25.934 -13.781 1.00 0.00 N ATOM 9 CA SER A 2 -25.084 -25.675 -14.340 1.00 0.00 C ATOM 10 C SER A 2 -25.072 -24.314 -15.039 1.00 0.00 C ATOM 11 O SER A 2 -25.463 -24.206 -16.201 1.00 0.00 O ATOM 12 CB SER A 2 -24.674 -26.778 -15.317 1.00 0.00 C ATOM 13 OG SER A 2 -23.912 -27.800 -14.679 1.00 0.00 O ATOM 0 H SER A 2 -27.146 -25.351 -14.160 1.00 0.00 H new ATOM 0 HA SER A 2 -24.361 -25.664 -13.524 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.566 -27.217 -15.764 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.091 -26.344 -16.129 1.00 0.00 H new ATOM 0 HG SER A 2 -24.294 -27.991 -13.797 1.00 0.00 H new ATOM 19 N SER A 3 -24.618 -23.310 -14.303 1.00 0.00 N ATOM 20 CA SER A 3 -24.550 -21.961 -14.839 1.00 0.00 C ATOM 21 C SER A 3 -23.444 -21.174 -14.133 1.00 0.00 C ATOM 22 O SER A 3 -22.905 -21.623 -13.123 1.00 0.00 O ATOM 23 CB SER A 3 -25.891 -21.241 -14.691 1.00 0.00 C ATOM 24 OG SER A 3 -26.507 -20.996 -15.953 1.00 0.00 O ATOM 0 H SER A 3 -24.294 -23.404 -13.340 1.00 0.00 H new ATOM 0 HA SER A 3 -24.320 -22.026 -15.902 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.558 -21.841 -14.072 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.739 -20.295 -14.172 1.00 0.00 H new ATOM 0 HG SER A 3 -27.362 -20.536 -15.816 1.00 0.00 H new ATOM 30 N GLY A 4 -23.139 -20.012 -14.693 1.00 0.00 N ATOM 31 CA GLY A 4 -22.107 -19.158 -14.130 1.00 0.00 C ATOM 32 C GLY A 4 -20.717 -19.598 -14.595 1.00 0.00 C ATOM 33 O GLY A 4 -20.062 -20.401 -13.933 1.00 0.00 O ATOM 0 H GLY A 4 -23.589 -19.642 -15.531 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.283 -18.124 -14.427 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.157 -19.190 -13.042 1.00 0.00 H new ATOM 37 N SER A 5 -20.308 -19.051 -15.731 1.00 0.00 N ATOM 38 CA SER A 5 -19.008 -19.377 -16.292 1.00 0.00 C ATOM 39 C SER A 5 -17.959 -18.381 -15.794 1.00 0.00 C ATOM 40 O SER A 5 -17.634 -17.417 -16.486 1.00 0.00 O ATOM 41 CB SER A 5 -19.053 -19.379 -17.822 1.00 0.00 C ATOM 42 OG SER A 5 -19.628 -18.183 -18.340 1.00 0.00 O ATOM 0 H SER A 5 -20.854 -18.385 -16.277 1.00 0.00 H new ATOM 0 HA SER A 5 -18.735 -20.379 -15.962 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.043 -19.495 -18.214 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.629 -20.237 -18.167 1.00 0.00 H new ATOM 0 HG SER A 5 -19.195 -17.407 -17.928 1.00 0.00 H new ATOM 48 N SER A 6 -17.457 -18.648 -14.597 1.00 0.00 N ATOM 49 CA SER A 6 -16.451 -17.788 -13.998 1.00 0.00 C ATOM 50 C SER A 6 -16.974 -16.353 -13.912 1.00 0.00 C ATOM 51 O SER A 6 -18.010 -16.030 -14.493 1.00 0.00 O ATOM 52 CB SER A 6 -15.146 -17.830 -14.794 1.00 0.00 C ATOM 53 OG SER A 6 -14.139 -18.587 -14.128 1.00 0.00 O ATOM 0 H SER A 6 -17.729 -19.448 -14.026 1.00 0.00 H new ATOM 0 HA SER A 6 -16.243 -18.154 -12.992 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.334 -18.263 -15.777 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.788 -16.814 -14.957 1.00 0.00 H new ATOM 0 HG SER A 6 -13.322 -18.591 -14.669 1.00 0.00 H new ATOM 59 N GLY A 7 -16.235 -15.530 -13.183 1.00 0.00 N ATOM 60 CA GLY A 7 -16.611 -14.136 -13.014 1.00 0.00 C ATOM 61 C GLY A 7 -17.661 -13.982 -11.913 1.00 0.00 C ATOM 62 O GLY A 7 -18.796 -13.591 -12.182 1.00 0.00 O ATOM 0 H GLY A 7 -15.377 -15.801 -12.702 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.729 -13.545 -12.766 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.003 -13.745 -13.953 1.00 0.00 H new ATOM 66 N MET A 8 -17.246 -14.297 -10.695 1.00 0.00 N ATOM 67 CA MET A 8 -18.137 -14.199 -9.551 1.00 0.00 C ATOM 68 C MET A 8 -17.347 -14.000 -8.256 1.00 0.00 C ATOM 69 O MET A 8 -16.713 -14.931 -7.763 1.00 0.00 O ATOM 70 CB MET A 8 -18.977 -15.473 -9.447 1.00 0.00 C ATOM 71 CG MET A 8 -20.102 -15.306 -8.423 1.00 0.00 C ATOM 72 SD MET A 8 -20.622 -16.904 -7.822 1.00 0.00 S ATOM 73 CE MET A 8 -19.819 -16.911 -6.228 1.00 0.00 C ATOM 0 H MET A 8 -16.304 -14.621 -10.475 1.00 0.00 H new ATOM 0 HA MET A 8 -18.787 -13.336 -9.694 1.00 0.00 H new ATOM 0 HB2 MET A 8 -19.401 -15.714 -10.422 1.00 0.00 H new ATOM 0 HB3 MET A 8 -18.341 -16.310 -9.160 1.00 0.00 H new ATOM 0 HG2 MET A 8 -19.760 -14.689 -7.592 1.00 0.00 H new ATOM 0 HG3 MET A 8 -20.946 -14.787 -8.879 1.00 0.00 H new ATOM 0 HE1 MET A 8 -20.041 -17.846 -5.713 1.00 0.00 H new ATOM 0 HE2 MET A 8 -18.741 -16.818 -6.363 1.00 0.00 H new ATOM 0 HE3 MET A 8 -20.184 -16.074 -5.633 1.00 0.00 H new ATOM 83 N SER A 9 -17.412 -12.781 -7.742 1.00 0.00 N ATOM 84 CA SER A 9 -16.711 -12.448 -6.514 1.00 0.00 C ATOM 85 C SER A 9 -17.259 -11.142 -5.935 1.00 0.00 C ATOM 86 O SER A 9 -17.252 -10.111 -6.606 1.00 0.00 O ATOM 87 CB SER A 9 -15.204 -12.331 -6.754 1.00 0.00 C ATOM 88 OG SER A 9 -14.510 -13.517 -6.376 1.00 0.00 O ATOM 0 H SER A 9 -17.940 -12.011 -8.154 1.00 0.00 H new ATOM 0 HA SER A 9 -16.876 -13.253 -5.798 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.020 -12.123 -7.808 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.811 -11.485 -6.189 1.00 0.00 H new ATOM 0 HG SER A 9 -15.001 -14.301 -6.700 1.00 0.00 H new ATOM 94 N SER A 10 -17.720 -11.229 -4.696 1.00 0.00 N ATOM 95 CA SER A 10 -18.271 -10.067 -4.020 1.00 0.00 C ATOM 96 C SER A 10 -17.242 -9.492 -3.044 1.00 0.00 C ATOM 97 O SER A 10 -16.699 -8.412 -3.274 1.00 0.00 O ATOM 98 CB SER A 10 -19.563 -10.421 -3.280 1.00 0.00 C ATOM 99 OG SER A 10 -20.695 -9.759 -3.838 1.00 0.00 O ATOM 0 H SER A 10 -17.723 -12.086 -4.143 1.00 0.00 H new ATOM 0 HA SER A 10 -18.509 -9.315 -4.773 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.719 -11.499 -3.317 1.00 0.00 H new ATOM 0 HB3 SER A 10 -19.465 -10.149 -2.229 1.00 0.00 H new ATOM 0 HG SER A 10 -21.500 -10.012 -3.340 1.00 0.00 H new ATOM 105 N HIS A 11 -17.003 -10.240 -1.977 1.00 0.00 N ATOM 106 CA HIS A 11 -16.049 -9.819 -0.966 1.00 0.00 C ATOM 107 C HIS A 11 -14.645 -10.279 -1.363 1.00 0.00 C ATOM 108 O HIS A 11 -14.492 -11.182 -2.184 1.00 0.00 O ATOM 109 CB HIS A 11 -16.467 -10.318 0.418 1.00 0.00 C ATOM 110 CG HIS A 11 -17.004 -9.236 1.325 1.00 0.00 C ATOM 111 ND1 HIS A 11 -16.194 -8.490 2.162 1.00 0.00 N ATOM 112 CD2 HIS A 11 -18.276 -8.783 1.516 1.00 0.00 C ATOM 113 CE1 HIS A 11 -16.954 -7.630 2.823 1.00 0.00 C ATOM 114 NE2 HIS A 11 -18.245 -7.813 2.421 1.00 0.00 N ATOM 0 H HIS A 11 -17.454 -11.136 -1.791 1.00 0.00 H new ATOM 0 HA HIS A 11 -16.034 -8.731 -0.906 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -17.228 -11.090 0.300 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.608 -10.787 0.898 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -19.159 -9.151 1.015 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -16.612 -6.910 3.552 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -19.053 -7.291 2.760 1.00 0.00 H new ATOM 122 N VAL A 12 -13.654 -9.637 -0.760 1.00 0.00 N ATOM 123 CA VAL A 12 -12.268 -9.969 -1.040 1.00 0.00 C ATOM 124 C VAL A 12 -12.014 -11.433 -0.673 1.00 0.00 C ATOM 125 O VAL A 12 -12.445 -11.895 0.382 1.00 0.00 O ATOM 126 CB VAL A 12 -11.339 -8.999 -0.307 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.877 -9.430 -0.444 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.538 -7.567 -0.806 1.00 0.00 C ATOM 0 H VAL A 12 -13.784 -8.889 -0.079 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.057 -9.859 -2.104 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.597 -9.023 0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.238 -8.724 0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.750 -10.425 -0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.600 -9.449 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.866 -6.898 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.321 -7.520 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.570 -7.261 -0.632 1.00 0.00 H new ATOM 138 N PRO A 13 -11.297 -12.139 -1.588 1.00 0.00 N ATOM 139 CA PRO A 13 -10.981 -13.540 -1.371 1.00 0.00 C ATOM 140 C PRO A 13 -9.872 -13.697 -0.329 1.00 0.00 C ATOM 141 O PRO A 13 -9.426 -12.714 0.261 1.00 0.00 O ATOM 142 CB PRO A 13 -10.590 -14.072 -2.740 1.00 0.00 C ATOM 143 CG PRO A 13 -10.252 -12.851 -3.581 1.00 0.00 C ATOM 144 CD PRO A 13 -10.770 -11.623 -2.849 1.00 0.00 C ATOM 0 HA PRO A 13 -11.822 -14.103 -0.965 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.736 -14.745 -2.668 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.407 -14.640 -3.186 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.175 -12.779 -3.733 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.709 -12.928 -4.568 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.974 -10.898 -2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.545 -11.116 -3.424 1.00 0.00 H new ATOM 152 N ALA A 14 -9.458 -14.941 -0.135 1.00 0.00 N ATOM 153 CA ALA A 14 -8.409 -15.239 0.825 1.00 0.00 C ATOM 154 C ALA A 14 -7.100 -15.506 0.078 1.00 0.00 C ATOM 155 O ALA A 14 -6.083 -15.821 0.694 1.00 0.00 O ATOM 156 CB ALA A 14 -8.835 -16.423 1.695 1.00 0.00 C ATOM 0 H ALA A 14 -9.830 -15.754 -0.626 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.243 -14.390 1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.048 -16.647 2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.753 -16.172 2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.008 -17.295 1.064 1.00 0.00 H new ATOM 162 N ASP A 15 -7.169 -15.370 -1.238 1.00 0.00 N ATOM 163 CA ASP A 15 -6.003 -15.593 -2.075 1.00 0.00 C ATOM 164 C ASP A 15 -5.425 -14.243 -2.507 1.00 0.00 C ATOM 165 O ASP A 15 -4.236 -14.139 -2.804 1.00 0.00 O ATOM 166 CB ASP A 15 -6.372 -16.374 -3.338 1.00 0.00 C ATOM 167 CG ASP A 15 -5.270 -17.288 -3.878 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.599 -17.925 -3.038 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.123 -17.328 -5.118 1.00 0.00 O ATOM 0 H ASP A 15 -8.014 -15.108 -1.745 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.277 -16.165 -1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.254 -16.979 -3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.649 -15.665 -4.118 1.00 0.00 H new ATOM 174 N MET A 16 -6.294 -13.243 -2.527 1.00 0.00 N ATOM 175 CA MET A 16 -5.885 -11.904 -2.917 1.00 0.00 C ATOM 176 C MET A 16 -5.799 -10.981 -1.700 1.00 0.00 C ATOM 177 O MET A 16 -6.304 -11.312 -0.629 1.00 0.00 O ATOM 178 CB MET A 16 -6.890 -11.335 -3.921 1.00 0.00 C ATOM 179 CG MET A 16 -6.953 -12.199 -5.182 1.00 0.00 C ATOM 180 SD MET A 16 -7.410 -11.196 -6.586 1.00 0.00 S ATOM 181 CE MET A 16 -5.810 -10.545 -7.036 1.00 0.00 C ATOM 0 H MET A 16 -7.279 -13.333 -2.280 1.00 0.00 H new ATOM 0 HA MET A 16 -4.897 -11.964 -3.374 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.877 -11.282 -3.462 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.607 -10.317 -4.187 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.986 -12.669 -5.360 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.678 -13.002 -5.047 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.895 -9.979 -7.964 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.448 -9.890 -6.243 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.109 -11.368 -7.176 1.00 0.00 H new ATOM 191 N ILE A 17 -5.157 -9.840 -1.907 1.00 0.00 N ATOM 192 CA ILE A 17 -4.999 -8.867 -0.840 1.00 0.00 C ATOM 193 C ILE A 17 -5.641 -7.544 -1.264 1.00 0.00 C ATOM 194 O ILE A 17 -5.240 -6.947 -2.262 1.00 0.00 O ATOM 195 CB ILE A 17 -3.526 -8.737 -0.447 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.954 -10.088 -0.013 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.338 -7.664 0.628 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.500 -10.238 -0.466 1.00 0.00 C ATOM 0 H ILE A 17 -4.741 -9.568 -2.798 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.517 -9.200 0.059 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.965 -8.416 -1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.012 -10.180 1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.555 -10.894 -0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.282 -7.592 0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.684 -6.703 0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.914 -7.932 1.514 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.117 -11.207 -0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.449 -10.169 -1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.897 -9.445 -0.023 1.00 0.00 H new ATOM 210 N ASN A 18 -6.627 -7.125 -0.484 1.00 0.00 N ATOM 211 CA ASN A 18 -7.328 -5.884 -0.767 1.00 0.00 C ATOM 212 C ASN A 18 -6.458 -4.702 -0.333 1.00 0.00 C ATOM 213 O ASN A 18 -6.073 -4.604 0.831 1.00 0.00 O ATOM 214 CB ASN A 18 -8.647 -5.808 0.005 1.00 0.00 C ATOM 215 CG ASN A 18 -9.749 -5.182 -0.852 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.772 -5.304 -2.065 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.659 -4.508 -0.155 1.00 0.00 N ATOM 0 H ASN A 18 -6.957 -7.623 0.343 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.534 -5.849 -1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.948 -6.808 0.317 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.508 -5.219 0.912 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.436 -4.054 -0.635 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.580 -4.445 0.860 1.00 0.00 H new ATOM 224 N LEU A 19 -6.175 -3.834 -1.293 1.00 0.00 N ATOM 225 CA LEU A 19 -5.358 -2.662 -1.025 1.00 0.00 C ATOM 226 C LEU A 19 -6.215 -1.404 -1.171 1.00 0.00 C ATOM 227 O LEU A 19 -7.048 -1.317 -2.073 1.00 0.00 O ATOM 228 CB LEU A 19 -4.111 -2.664 -1.913 1.00 0.00 C ATOM 229 CG LEU A 19 -2.908 -3.443 -1.378 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.147 -2.626 -0.331 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.335 -4.810 -0.839 1.00 0.00 C ATOM 0 H LEU A 19 -6.497 -3.918 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.991 -2.680 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.382 -3.076 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.805 -1.631 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.223 -3.623 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.297 -3.203 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.791 -1.699 -0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.811 -2.393 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.461 -5.343 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.051 -4.674 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.798 -5.388 -1.639 1.00 0.00 H new ATOM 243 N ARG A 20 -5.982 -0.460 -0.271 1.00 0.00 N ATOM 244 CA ARG A 20 -6.722 0.790 -0.289 1.00 0.00 C ATOM 245 C ARG A 20 -5.866 1.907 -0.889 1.00 0.00 C ATOM 246 O ARG A 20 -4.918 2.374 -0.259 1.00 0.00 O ATOM 247 CB ARG A 20 -7.157 1.193 1.122 1.00 0.00 C ATOM 248 CG ARG A 20 -8.281 2.230 1.075 1.00 0.00 C ATOM 249 CD ARG A 20 -9.000 2.321 2.422 1.00 0.00 C ATOM 250 NE ARG A 20 -10.427 1.967 2.259 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.255 1.692 3.276 1.00 0.00 C ATOM 252 NH1 ARG A 20 -10.802 1.730 4.537 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.535 1.380 3.034 1.00 0.00 N ATOM 0 H ARG A 20 -5.291 -0.536 0.475 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.610 0.639 -0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.493 0.312 1.668 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.305 1.600 1.667 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.870 3.205 0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.994 1.963 0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.530 1.649 3.140 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.911 3.330 2.824 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.805 1.930 1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.828 1.968 4.722 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.432 1.521 5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.880 1.352 2.075 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.164 1.171 3.809 1.00 0.00 H new ATOM 267 N LEU A 21 -6.230 2.302 -2.100 1.00 0.00 N ATOM 268 CA LEU A 21 -5.506 3.355 -2.793 1.00 0.00 C ATOM 269 C LEU A 21 -6.128 4.709 -2.445 1.00 0.00 C ATOM 270 O LEU A 21 -7.208 5.043 -2.930 1.00 0.00 O ATOM 271 CB LEU A 21 -5.453 3.070 -4.295 1.00 0.00 C ATOM 272 CG LEU A 21 -4.384 2.074 -4.751 1.00 0.00 C ATOM 273 CD1 LEU A 21 -2.991 2.703 -4.697 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.461 0.778 -3.942 1.00 0.00 C ATOM 0 H LEU A 21 -7.017 1.912 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.468 3.386 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.428 2.696 -4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.290 4.012 -4.818 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.580 1.815 -5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.250 1.975 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.959 3.574 -5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.770 3.010 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.691 0.088 -4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.305 0.998 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.442 0.323 -4.077 1.00 0.00 H new ATOM 286 N ILE A 22 -5.420 5.452 -1.608 1.00 0.00 N ATOM 287 CA ILE A 22 -5.889 6.762 -1.190 1.00 0.00 C ATOM 288 C ILE A 22 -5.325 7.826 -2.134 1.00 0.00 C ATOM 289 O ILE A 22 -4.167 7.750 -2.540 1.00 0.00 O ATOM 290 CB ILE A 22 -5.553 7.007 0.283 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.019 5.838 1.153 1.00 0.00 C ATOM 292 CG2 ILE A 22 -6.126 8.342 0.761 1.00 0.00 C ATOM 293 CD1 ILE A 22 -5.302 5.841 2.505 1.00 0.00 C ATOM 0 H ILE A 22 -4.525 5.172 -1.208 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.975 6.817 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.469 7.069 0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.096 5.902 1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.827 4.897 0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.873 8.492 1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.704 9.153 0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.210 8.335 0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.651 5.000 3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.227 5.752 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.516 6.773 3.028 1.00 0.00 H new ATOM 305 N LEU A 23 -6.172 8.793 -2.457 1.00 0.00 N ATOM 306 CA LEU A 23 -5.773 9.871 -3.346 1.00 0.00 C ATOM 307 C LEU A 23 -6.898 10.904 -3.425 1.00 0.00 C ATOM 308 O LEU A 23 -7.607 11.131 -2.445 1.00 0.00 O ATOM 309 CB LEU A 23 -5.352 9.314 -4.707 1.00 0.00 C ATOM 310 CG LEU A 23 -6.471 8.713 -5.560 1.00 0.00 C ATOM 311 CD1 LEU A 23 -6.421 9.254 -6.991 1.00 0.00 C ATOM 312 CD2 LEU A 23 -6.426 7.184 -5.524 1.00 0.00 C ATOM 0 H LEU A 23 -7.133 8.852 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.896 10.385 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.879 10.115 -5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.594 8.548 -4.545 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.427 9.018 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.227 8.811 -7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.538 10.338 -6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.462 8.999 -7.443 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.232 6.782 -6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.467 6.839 -5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.547 6.841 -4.497 1.00 0.00 H new ATOM 324 N VAL A 24 -7.027 11.503 -4.599 1.00 0.00 N ATOM 325 CA VAL A 24 -8.055 12.507 -4.819 1.00 0.00 C ATOM 326 C VAL A 24 -8.216 13.350 -3.553 1.00 0.00 C ATOM 327 O VAL A 24 -7.237 13.640 -2.867 1.00 0.00 O ATOM 328 CB VAL A 24 -9.357 11.835 -5.260 1.00 0.00 C ATOM 329 CG1 VAL A 24 -9.123 10.929 -6.470 1.00 0.00 C ATOM 330 CG2 VAL A 24 -9.990 11.056 -4.106 1.00 0.00 C ATOM 0 H VAL A 24 -6.437 11.313 -5.409 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.765 13.182 -5.624 1.00 0.00 H new ATOM 0 HB VAL A 24 -10.054 12.618 -5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.064 10.464 -6.763 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.737 11.522 -7.299 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.401 10.155 -6.211 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.914 10.588 -4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.298 10.286 -3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.210 11.738 -3.284 1.00 0.00 H new ATOM 340 N SER A 25 -9.459 13.720 -3.281 1.00 0.00 N ATOM 341 CA SER A 25 -9.762 14.525 -2.109 1.00 0.00 C ATOM 342 C SER A 25 -9.935 13.622 -0.886 1.00 0.00 C ATOM 343 O SER A 25 -10.883 13.785 -0.120 1.00 0.00 O ATOM 344 CB SER A 25 -11.019 15.368 -2.330 1.00 0.00 C ATOM 345 OG SER A 25 -10.709 16.678 -2.796 1.00 0.00 O ATOM 0 H SER A 25 -10.268 13.477 -3.852 1.00 0.00 H new ATOM 0 HA SER A 25 -8.928 15.205 -1.935 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.667 14.870 -3.052 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.577 15.438 -1.396 1.00 0.00 H new ATOM 0 HG SER A 25 -11.538 17.184 -2.926 1.00 0.00 H new ATOM 351 N GLY A 26 -9.004 12.691 -0.741 1.00 0.00 N ATOM 352 CA GLY A 26 -9.042 11.763 0.377 1.00 0.00 C ATOM 353 C GLY A 26 -9.710 10.447 -0.026 1.00 0.00 C ATOM 354 O GLY A 26 -9.159 9.371 0.202 1.00 0.00 O ATOM 0 H GLY A 26 -8.219 12.559 -1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.028 11.568 0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.586 12.212 1.208 1.00 0.00 H new ATOM 358 N LYS A 27 -10.889 10.576 -0.617 1.00 0.00 N ATOM 359 CA LYS A 27 -11.638 9.410 -1.054 1.00 0.00 C ATOM 360 C LYS A 27 -10.669 8.364 -1.608 1.00 0.00 C ATOM 361 O LYS A 27 -9.825 8.677 -2.447 1.00 0.00 O ATOM 362 CB LYS A 27 -12.735 9.816 -2.041 1.00 0.00 C ATOM 363 CG LYS A 27 -13.956 10.372 -1.305 1.00 0.00 C ATOM 364 CD LYS A 27 -14.360 11.737 -1.867 1.00 0.00 C ATOM 365 CE LYS A 27 -15.843 11.757 -2.242 1.00 0.00 C ATOM 366 NZ LYS A 27 -16.676 12.024 -1.048 1.00 0.00 N ATOM 0 H LYS A 27 -11.344 11.470 -0.803 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.154 8.952 -0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.349 10.566 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.028 8.953 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.789 9.675 -1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.734 10.464 -0.242 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.157 12.513 -1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.756 11.966 -2.745 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.023 12.522 -2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -16.125 10.801 -2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -17.680 12.034 -1.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.517 11.279 -0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.418 12.947 -0.644 1.00 0.00 H new ATOM 380 N THR A 28 -10.822 7.143 -1.118 1.00 0.00 N ATOM 381 CA THR A 28 -9.971 6.049 -1.554 1.00 0.00 C ATOM 382 C THR A 28 -10.815 4.924 -2.155 1.00 0.00 C ATOM 383 O THR A 28 -12.030 4.886 -1.968 1.00 0.00 O ATOM 384 CB THR A 28 -9.125 5.603 -0.359 1.00 0.00 C ATOM 385 OG1 THR A 28 -8.329 4.540 -0.875 1.00 0.00 O ATOM 386 CG2 THR A 28 -9.963 4.942 0.737 1.00 0.00 C ATOM 0 H THR A 28 -11.523 6.887 -0.423 1.00 0.00 H new ATOM 0 HA THR A 28 -9.295 6.366 -2.349 1.00 0.00 H new ATOM 0 HB THR A 28 -8.599 6.463 0.055 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.211 4.658 -1.841 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.315 4.645 1.561 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.710 5.648 1.100 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.462 4.062 0.332 1.00 0.00 H new ATOM 394 N LYS A 29 -10.137 4.033 -2.865 1.00 0.00 N ATOM 395 CA LYS A 29 -10.809 2.910 -3.495 1.00 0.00 C ATOM 396 C LYS A 29 -10.183 1.604 -3.000 1.00 0.00 C ATOM 397 O LYS A 29 -9.192 1.623 -2.272 1.00 0.00 O ATOM 398 CB LYS A 29 -10.793 3.061 -5.017 1.00 0.00 C ATOM 399 CG LYS A 29 -12.198 2.892 -5.599 1.00 0.00 C ATOM 400 CD LYS A 29 -12.160 2.883 -7.129 1.00 0.00 C ATOM 401 CE LYS A 29 -13.201 1.916 -7.698 1.00 0.00 C ATOM 402 NZ LYS A 29 -12.564 0.956 -8.627 1.00 0.00 N ATOM 0 H LYS A 29 -9.129 4.067 -3.017 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.861 2.888 -3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.400 4.042 -5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.123 2.320 -5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.636 1.962 -5.237 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.839 3.702 -5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.347 3.888 -7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.166 2.594 -7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.687 1.376 -6.885 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.978 2.475 -8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.284 0.307 -9.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.121 1.475 -9.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.839 0.410 -8.119 1.00 0.00 H new ATOM 416 N GLU A 30 -10.788 0.501 -3.415 1.00 0.00 N ATOM 417 CA GLU A 30 -10.303 -0.811 -3.023 1.00 0.00 C ATOM 418 C GLU A 30 -9.857 -1.602 -4.255 1.00 0.00 C ATOM 419 O GLU A 30 -10.632 -1.786 -5.192 1.00 0.00 O ATOM 420 CB GLU A 30 -11.368 -1.577 -2.236 1.00 0.00 C ATOM 421 CG GLU A 30 -11.631 -0.915 -0.882 1.00 0.00 C ATOM 422 CD GLU A 30 -12.801 -1.587 -0.161 1.00 0.00 C ATOM 423 OE1 GLU A 30 -12.591 -2.718 0.329 1.00 0.00 O ATOM 424 OE2 GLU A 30 -13.879 -0.956 -0.116 1.00 0.00 O ATOM 0 H GLU A 30 -11.610 0.489 -4.019 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.441 -0.678 -2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.293 -1.616 -2.812 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.043 -2.606 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.735 -0.975 -0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.848 0.143 -1.027 1.00 0.00 H new ATOM 431 N PHE A 31 -8.611 -2.049 -4.213 1.00 0.00 N ATOM 432 CA PHE A 31 -8.053 -2.815 -5.314 1.00 0.00 C ATOM 433 C PHE A 31 -7.702 -4.237 -4.870 1.00 0.00 C ATOM 434 O PHE A 31 -7.869 -4.585 -3.702 1.00 0.00 O ATOM 435 CB PHE A 31 -6.773 -2.101 -5.753 1.00 0.00 C ATOM 436 CG PHE A 31 -7.015 -0.898 -6.668 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.192 0.339 -6.132 1.00 0.00 C ATOM 438 CD2 PHE A 31 -7.053 -1.067 -8.017 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.417 1.455 -6.981 1.00 0.00 C ATOM 440 CE2 PHE A 31 -7.277 0.049 -8.866 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.455 1.287 -8.330 1.00 0.00 C ATOM 0 H PHE A 31 -7.972 -1.895 -3.433 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.779 -2.884 -6.124 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.233 -1.768 -4.867 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.130 -2.814 -6.269 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.161 0.473 -5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.913 -2.050 -8.442 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.558 2.437 -6.555 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.306 -0.085 -9.937 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.626 2.136 -8.976 1.00 0.00 H new ATOM 451 N LEU A 32 -7.221 -5.019 -5.825 1.00 0.00 N ATOM 452 CA LEU A 32 -6.845 -6.395 -5.547 1.00 0.00 C ATOM 453 C LEU A 32 -5.461 -6.670 -6.138 1.00 0.00 C ATOM 454 O LEU A 32 -5.177 -6.282 -7.270 1.00 0.00 O ATOM 455 CB LEU A 32 -7.927 -7.357 -6.041 1.00 0.00 C ATOM 456 CG LEU A 32 -9.187 -7.449 -5.179 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.448 -7.439 -6.046 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.134 -8.672 -4.260 1.00 0.00 C ATOM 0 H LEU A 32 -7.083 -4.726 -6.792 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.772 -6.560 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.220 -7.057 -7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.491 -8.353 -6.120 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.229 -6.567 -4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.329 -7.505 -5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.486 -6.514 -6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.428 -8.290 -6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.042 -8.714 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.056 -9.577 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.267 -8.597 -3.604 1.00 0.00 H new ATOM 470 N PHE A 33 -4.636 -7.338 -5.345 1.00 0.00 N ATOM 471 CA PHE A 33 -3.289 -7.670 -5.775 1.00 0.00 C ATOM 472 C PHE A 33 -2.886 -9.064 -5.292 1.00 0.00 C ATOM 473 O PHE A 33 -3.540 -9.636 -4.420 1.00 0.00 O ATOM 474 CB PHE A 33 -2.351 -6.635 -5.149 1.00 0.00 C ATOM 475 CG PHE A 33 -2.601 -5.202 -5.623 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.393 -4.871 -6.926 1.00 0.00 C ATOM 477 CD2 PHE A 33 -3.030 -4.259 -4.742 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.624 -3.541 -7.365 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.261 -2.929 -5.182 1.00 0.00 C ATOM 480 CZ PHE A 33 -3.053 -2.598 -6.484 1.00 0.00 C ATOM 0 H PHE A 33 -4.875 -7.658 -4.407 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.235 -7.663 -6.864 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.457 -6.672 -4.065 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.321 -6.908 -5.378 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.052 -5.620 -7.626 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.195 -4.522 -3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.459 -3.278 -8.399 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.602 -2.180 -4.482 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.228 -1.586 -6.819 1.00 0.00 H new ATOM 490 N SER A 34 -1.812 -9.572 -5.878 1.00 0.00 N ATOM 491 CA SER A 34 -1.314 -10.889 -5.518 1.00 0.00 C ATOM 492 C SER A 34 -0.107 -10.755 -4.587 1.00 0.00 C ATOM 493 O SER A 34 0.554 -9.719 -4.567 1.00 0.00 O ATOM 494 CB SER A 34 -0.938 -11.695 -6.762 1.00 0.00 C ATOM 495 OG SER A 34 0.329 -12.331 -6.623 1.00 0.00 O ATOM 0 H SER A 34 -1.272 -9.095 -6.600 1.00 0.00 H new ATOM 0 HA SER A 34 -2.108 -11.425 -4.998 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.703 -12.448 -6.951 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.919 -11.035 -7.629 1.00 0.00 H new ATOM 0 HG SER A 34 0.462 -12.961 -7.362 1.00 0.00 H new ATOM 501 N PRO A 35 0.149 -11.848 -3.818 1.00 0.00 N ATOM 502 CA PRO A 35 1.265 -11.863 -2.887 1.00 0.00 C ATOM 503 C PRO A 35 2.594 -12.028 -3.627 1.00 0.00 C ATOM 504 O PRO A 35 3.660 -11.972 -3.015 1.00 0.00 O ATOM 505 CB PRO A 35 0.968 -13.010 -1.936 1.00 0.00 C ATOM 506 CG PRO A 35 -0.056 -13.884 -2.643 1.00 0.00 C ATOM 507 CD PRO A 35 -0.613 -13.093 -3.815 1.00 0.00 C ATOM 0 HA PRO A 35 1.369 -10.926 -2.339 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.873 -13.574 -1.710 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.578 -12.640 -0.988 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.406 -14.808 -2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.856 -14.166 -1.958 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.490 -13.635 -4.753 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.680 -12.904 -3.694 1.00 0.00 H new ATOM 515 N ASN A 36 2.487 -12.228 -4.932 1.00 0.00 N ATOM 516 CA ASN A 36 3.667 -12.402 -5.762 1.00 0.00 C ATOM 517 C ASN A 36 3.890 -11.138 -6.595 1.00 0.00 C ATOM 518 O ASN A 36 4.846 -11.059 -7.365 1.00 0.00 O ATOM 519 CB ASN A 36 3.495 -13.579 -6.724 1.00 0.00 C ATOM 520 CG ASN A 36 3.454 -14.906 -5.965 1.00 0.00 C ATOM 521 OD1 ASN A 36 3.958 -15.037 -4.862 1.00 0.00 O ATOM 522 ND2 ASN A 36 2.826 -15.882 -6.616 1.00 0.00 N ATOM 0 H ASN A 36 1.601 -12.273 -5.435 1.00 0.00 H new ATOM 0 HA ASN A 36 4.516 -12.594 -5.106 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.575 -13.455 -7.296 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.317 -13.591 -7.440 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.745 -16.807 -6.193 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.426 -15.705 -7.538 1.00 0.00 H new ATOM 529 N ASP A 37 2.992 -10.181 -6.412 1.00 0.00 N ATOM 530 CA ASP A 37 3.079 -8.925 -7.138 1.00 0.00 C ATOM 531 C ASP A 37 3.956 -7.948 -6.352 1.00 0.00 C ATOM 532 O ASP A 37 3.898 -7.905 -5.124 1.00 0.00 O ATOM 533 CB ASP A 37 1.698 -8.290 -7.307 1.00 0.00 C ATOM 534 CG ASP A 37 0.842 -8.891 -8.424 1.00 0.00 C ATOM 535 OD1 ASP A 37 1.249 -9.953 -8.942 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.199 -8.273 -8.736 1.00 0.00 O ATOM 0 H ASP A 37 2.201 -10.250 -5.772 1.00 0.00 H new ATOM 0 HA ASP A 37 3.503 -9.131 -8.121 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.156 -8.380 -6.366 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.826 -7.225 -7.501 1.00 0.00 H new ATOM 541 N SER A 38 4.748 -7.187 -7.093 1.00 0.00 N ATOM 542 CA SER A 38 5.636 -6.212 -6.482 1.00 0.00 C ATOM 543 C SER A 38 4.984 -4.828 -6.499 1.00 0.00 C ATOM 544 O SER A 38 3.987 -4.616 -7.187 1.00 0.00 O ATOM 545 CB SER A 38 6.987 -6.172 -7.199 1.00 0.00 C ATOM 546 OG SER A 38 6.887 -5.584 -8.493 1.00 0.00 O ATOM 0 H SER A 38 4.793 -7.226 -8.111 1.00 0.00 H new ATOM 0 HA SER A 38 5.813 -6.510 -5.449 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.700 -5.607 -6.598 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.379 -7.185 -7.290 1.00 0.00 H new ATOM 0 HG SER A 38 7.770 -5.575 -8.918 1.00 0.00 H new ATOM 552 N ALA A 39 5.575 -3.922 -5.733 1.00 0.00 N ATOM 553 CA ALA A 39 5.065 -2.564 -5.652 1.00 0.00 C ATOM 554 C ALA A 39 4.792 -2.041 -7.063 1.00 0.00 C ATOM 555 O ALA A 39 3.688 -1.586 -7.358 1.00 0.00 O ATOM 556 CB ALA A 39 6.060 -1.689 -4.888 1.00 0.00 C ATOM 0 H ALA A 39 6.402 -4.102 -5.163 1.00 0.00 H new ATOM 0 HA ALA A 39 4.123 -2.540 -5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.677 -0.670 -4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.196 -2.086 -3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.017 -1.686 -5.409 1.00 0.00 H new ATOM 562 N SER A 40 5.818 -2.121 -7.898 1.00 0.00 N ATOM 563 CA SER A 40 5.703 -1.661 -9.272 1.00 0.00 C ATOM 564 C SER A 40 4.386 -2.150 -9.878 1.00 0.00 C ATOM 565 O SER A 40 3.591 -1.350 -10.370 1.00 0.00 O ATOM 566 CB SER A 40 6.886 -2.142 -10.114 1.00 0.00 C ATOM 567 OG SER A 40 6.688 -1.892 -11.503 1.00 0.00 O ATOM 0 H SER A 40 6.733 -2.498 -7.650 1.00 0.00 H new ATOM 0 HA SER A 40 5.713 -0.571 -9.271 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.795 -1.641 -9.781 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.034 -3.210 -9.955 1.00 0.00 H new ATOM 0 HG SER A 40 7.465 -2.212 -12.007 1.00 0.00 H new ATOM 573 N ASP A 41 4.196 -3.460 -9.824 1.00 0.00 N ATOM 574 CA ASP A 41 2.989 -4.064 -10.362 1.00 0.00 C ATOM 575 C ASP A 41 1.768 -3.295 -9.853 1.00 0.00 C ATOM 576 O ASP A 41 0.838 -3.027 -10.611 1.00 0.00 O ATOM 577 CB ASP A 41 2.853 -5.519 -9.911 1.00 0.00 C ATOM 578 CG ASP A 41 2.424 -6.498 -11.006 1.00 0.00 C ATOM 579 OD1 ASP A 41 1.331 -6.274 -11.571 1.00 0.00 O ATOM 580 OD2 ASP A 41 3.197 -7.449 -11.253 1.00 0.00 O ATOM 0 H ASP A 41 4.858 -4.120 -9.416 1.00 0.00 H new ATOM 0 HA ASP A 41 3.050 -4.028 -11.450 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.809 -5.848 -9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.128 -5.566 -9.098 1.00 0.00 H new ATOM 585 N ILE A 42 1.811 -2.963 -8.571 1.00 0.00 N ATOM 586 CA ILE A 42 0.719 -2.231 -7.951 1.00 0.00 C ATOM 587 C ILE A 42 0.653 -0.823 -8.546 1.00 0.00 C ATOM 588 O ILE A 42 -0.284 -0.496 -9.272 1.00 0.00 O ATOM 589 CB ILE A 42 0.859 -2.249 -6.427 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.744 -3.674 -5.883 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.148 -1.302 -5.773 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.194 -3.741 -4.422 1.00 0.00 C ATOM 0 H ILE A 42 2.584 -3.187 -7.945 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.234 -2.714 -8.166 1.00 0.00 H new ATOM 0 HB ILE A 42 1.854 -1.886 -6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.287 -4.017 -5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.353 -4.348 -6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.027 -1.334 -4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.025 -0.286 -6.128 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.160 -1.610 -6.034 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.102 -4.765 -4.060 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.233 -3.421 -4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.567 -3.085 -3.818 1.00 0.00 H new ATOM 604 N ALA A 43 1.660 -0.027 -8.216 1.00 0.00 N ATOM 605 CA ALA A 43 1.728 1.338 -8.708 1.00 0.00 C ATOM 606 C ALA A 43 1.282 1.370 -10.172 1.00 0.00 C ATOM 607 O ALA A 43 0.447 2.190 -10.552 1.00 0.00 O ATOM 608 CB ALA A 43 3.146 1.879 -8.519 1.00 0.00 C ATOM 0 H ALA A 43 2.436 -0.302 -7.613 1.00 0.00 H new ATOM 0 HA ALA A 43 1.055 1.984 -8.144 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.197 2.903 -8.888 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.404 1.862 -7.460 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.849 1.258 -9.074 1.00 0.00 H new ATOM 614 N LYS A 44 1.858 0.468 -10.953 1.00 0.00 N ATOM 615 CA LYS A 44 1.531 0.383 -12.366 1.00 0.00 C ATOM 616 C LYS A 44 0.062 -0.016 -12.521 1.00 0.00 C ATOM 617 O LYS A 44 -0.700 0.664 -13.206 1.00 0.00 O ATOM 618 CB LYS A 44 2.503 -0.555 -13.085 1.00 0.00 C ATOM 619 CG LYS A 44 3.753 0.198 -13.543 1.00 0.00 C ATOM 620 CD LYS A 44 3.572 0.755 -14.956 1.00 0.00 C ATOM 621 CE LYS A 44 4.803 1.551 -15.395 1.00 0.00 C ATOM 622 NZ LYS A 44 5.911 0.636 -15.750 1.00 0.00 N ATOM 0 H LYS A 44 2.549 -0.211 -10.634 1.00 0.00 H new ATOM 0 HA LYS A 44 1.650 1.355 -12.845 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.788 -1.369 -12.419 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.009 -1.006 -13.946 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.964 1.014 -12.851 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.613 -0.471 -13.520 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.397 -0.064 -15.654 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.690 1.395 -14.988 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.552 2.178 -16.251 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.117 2.218 -14.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.733 1.191 -16.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.172 0.068 -14.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.607 0.005 -16.519 1.00 0.00 H new ATOM 636 N HIS A 45 -0.291 -1.117 -11.874 1.00 0.00 N ATOM 637 CA HIS A 45 -1.654 -1.615 -11.932 1.00 0.00 C ATOM 638 C HIS A 45 -2.632 -0.440 -11.870 1.00 0.00 C ATOM 639 O HIS A 45 -3.478 -0.284 -12.750 1.00 0.00 O ATOM 640 CB HIS A 45 -1.902 -2.651 -10.834 1.00 0.00 C ATOM 641 CG HIS A 45 -3.343 -3.083 -10.711 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.450 -2.392 -10.313 1.00 0.00 N flip ATOM 643 CD2 HIS A 45 -3.771 -4.364 -11.014 1.00 0.00 C flip ATOM 644 CE1 HIS A 45 -5.497 -3.205 -10.372 1.00 0.00 C flip ATOM 645 NE2 HIS A 45 -5.078 -4.429 -10.806 1.00 0.00 N flip ATOM 0 H HIS A 45 0.344 -1.678 -11.307 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.817 -2.130 -12.879 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.286 -3.528 -11.031 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.574 -2.239 -9.880 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.146 -5.173 -11.361 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.513 -2.941 -10.118 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.667 -5.250 -10.946 1.00 0.00 H new ATOM 653 N VAL A 46 -2.485 0.356 -10.822 1.00 0.00 N ATOM 654 CA VAL A 46 -3.345 1.512 -10.633 1.00 0.00 C ATOM 655 C VAL A 46 -3.502 2.248 -11.965 1.00 0.00 C ATOM 656 O VAL A 46 -4.619 2.533 -12.393 1.00 0.00 O ATOM 657 CB VAL A 46 -2.788 2.403 -9.520 1.00 0.00 C ATOM 658 CG1 VAL A 46 -3.583 3.705 -9.410 1.00 0.00 C ATOM 659 CG2 VAL A 46 -2.765 1.659 -8.183 1.00 0.00 C ATOM 0 H VAL A 46 -1.783 0.223 -10.094 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.339 1.200 -10.314 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.761 2.660 -9.778 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.166 4.319 -8.612 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.525 4.248 -10.354 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.625 3.477 -9.186 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.365 2.314 -7.409 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.778 1.359 -7.916 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.135 0.774 -8.270 1.00 0.00 H new ATOM 669 N TYR A 47 -2.366 2.536 -12.583 1.00 0.00 N ATOM 670 CA TYR A 47 -2.363 3.234 -13.858 1.00 0.00 C ATOM 671 C TYR A 47 -2.891 2.333 -14.977 1.00 0.00 C ATOM 672 O TYR A 47 -3.825 2.702 -15.687 1.00 0.00 O ATOM 673 CB TYR A 47 -0.902 3.581 -14.146 1.00 0.00 C ATOM 674 CG TYR A 47 -0.464 4.939 -13.592 1.00 0.00 C ATOM 675 CD1 TYR A 47 -1.048 6.097 -14.063 1.00 0.00 C ATOM 676 CD2 TYR A 47 0.515 5.005 -12.622 1.00 0.00 C ATOM 677 CE1 TYR A 47 -0.636 7.374 -13.542 1.00 0.00 C ATOM 678 CE2 TYR A 47 0.927 6.283 -12.101 1.00 0.00 C ATOM 679 CZ TYR A 47 0.331 7.404 -12.587 1.00 0.00 C ATOM 680 OH TYR A 47 0.720 8.611 -12.095 1.00 0.00 O ATOM 0 H TYR A 47 -1.441 2.299 -12.225 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.001 4.117 -13.814 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.265 2.805 -13.723 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.743 3.571 -15.224 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.814 6.045 -14.822 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.972 4.099 -12.254 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.085 8.288 -13.902 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.692 6.349 -11.342 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.042 9.047 -11.659 1.00 0.00 H new ATOM 690 N ASP A 48 -2.270 1.169 -15.098 1.00 0.00 N ATOM 691 CA ASP A 48 -2.665 0.213 -16.118 1.00 0.00 C ATOM 692 C ASP A 48 -4.191 0.188 -16.224 1.00 0.00 C ATOM 693 O ASP A 48 -4.740 0.069 -17.318 1.00 0.00 O ATOM 694 CB ASP A 48 -2.192 -1.198 -15.764 1.00 0.00 C ATOM 695 CG ASP A 48 -0.995 -1.701 -16.572 1.00 0.00 C ATOM 696 OD1 ASP A 48 -1.141 -1.786 -17.811 1.00 0.00 O ATOM 697 OD2 ASP A 48 0.040 -1.990 -15.934 1.00 0.00 O ATOM 0 H ASP A 48 -1.496 0.866 -14.506 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.211 0.519 -17.060 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.933 -1.223 -14.706 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.023 -1.889 -15.905 1.00 0.00 H new ATOM 702 N ASN A 49 -4.834 0.302 -15.071 1.00 0.00 N ATOM 703 CA ASN A 49 -6.286 0.293 -15.019 1.00 0.00 C ATOM 704 C ASN A 49 -6.818 1.635 -15.528 1.00 0.00 C ATOM 705 O ASN A 49 -7.237 1.744 -16.679 1.00 0.00 O ATOM 706 CB ASN A 49 -6.786 0.099 -13.586 1.00 0.00 C ATOM 707 CG ASN A 49 -6.794 -1.382 -13.205 1.00 0.00 C ATOM 708 OD1 ASN A 49 -5.584 -1.900 -13.016 1.00 0.00 O flip ATOM 709 ND2 ASN A 49 -7.832 -2.014 -13.088 1.00 0.00 N flip ATOM 0 H ASN A 49 -4.376 0.401 -14.165 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.640 -0.531 -15.638 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.148 0.652 -12.896 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.791 0.509 -13.489 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.729 -1.555 -13.247 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.802 -3.001 -12.831 1.00 0.00 H new ATOM 716 N TRP A 50 -6.784 2.622 -14.644 1.00 0.00 N ATOM 717 CA TRP A 50 -7.257 3.951 -14.989 1.00 0.00 C ATOM 718 C TRP A 50 -6.699 4.309 -16.368 1.00 0.00 C ATOM 719 O TRP A 50 -5.513 4.609 -16.503 1.00 0.00 O ATOM 720 CB TRP A 50 -6.877 4.966 -13.909 1.00 0.00 C ATOM 721 CG TRP A 50 -7.559 4.724 -12.561 1.00 0.00 C ATOM 722 CD1 TRP A 50 -8.781 4.223 -12.332 1.00 0.00 C ATOM 723 CD2 TRP A 50 -7.005 4.996 -11.256 1.00 0.00 C ATOM 724 NE1 TRP A 50 -9.054 4.152 -10.981 1.00 0.00 N ATOM 725 CE2 TRP A 50 -7.939 4.636 -10.306 1.00 0.00 C ATOM 726 CE3 TRP A 50 -5.756 5.527 -10.891 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -7.723 4.769 -8.929 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -5.555 5.653 -9.511 1.00 0.00 C ATOM 729 CH2 TRP A 50 -6.485 5.296 -8.542 1.00 0.00 C ATOM 0 H TRP A 50 -6.436 2.527 -13.690 1.00 0.00 H new ATOM 0 HA TRP A 50 -8.346 3.972 -15.038 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -5.796 4.943 -13.767 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.132 5.966 -14.259 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -9.466 3.914 -13.107 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -9.915 3.808 -10.556 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.010 5.815 -11.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -8.471 4.481 -8.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.611 6.056 -9.176 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.254 5.425 -7.495 1.00 0.00 H new ATOM 740 N PRO A 51 -7.603 4.265 -17.383 1.00 0.00 N ATOM 741 CA PRO A 51 -7.212 4.581 -18.747 1.00 0.00 C ATOM 742 C PRO A 51 -7.029 6.089 -18.930 1.00 0.00 C ATOM 743 O PRO A 51 -7.763 6.719 -19.689 1.00 0.00 O ATOM 744 CB PRO A 51 -8.320 4.007 -19.616 1.00 0.00 C ATOM 745 CG PRO A 51 -9.511 3.804 -18.693 1.00 0.00 C ATOM 746 CD PRO A 51 -9.014 3.914 -17.261 1.00 0.00 C ATOM 0 HA PRO A 51 -6.248 4.152 -19.019 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.569 4.687 -20.431 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.012 3.065 -20.069 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.278 4.553 -18.889 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.966 2.829 -18.865 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.565 4.675 -16.708 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.143 2.974 -16.724 1.00 0.00 H new ATOM 754 N MET A 52 -6.047 6.623 -18.220 1.00 0.00 N ATOM 755 CA MET A 52 -5.758 8.046 -18.294 1.00 0.00 C ATOM 756 C MET A 52 -4.566 8.410 -17.407 1.00 0.00 C ATOM 757 O MET A 52 -4.030 7.558 -16.700 1.00 0.00 O ATOM 758 CB MET A 52 -6.987 8.840 -17.849 1.00 0.00 C ATOM 759 CG MET A 52 -7.777 9.349 -19.056 1.00 0.00 C ATOM 760 SD MET A 52 -9.503 8.928 -18.879 1.00 0.00 S ATOM 761 CE MET A 52 -10.250 10.346 -19.664 1.00 0.00 C ATOM 0 H MET A 52 -5.441 6.097 -17.591 1.00 0.00 H new ATOM 0 HA MET A 52 -5.508 8.294 -19.326 1.00 0.00 H new ATOM 0 HB2 MET A 52 -7.627 8.211 -17.230 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.676 9.683 -17.232 1.00 0.00 H new ATOM 0 HG2 MET A 52 -7.665 10.430 -19.145 1.00 0.00 H new ATOM 0 HG3 MET A 52 -7.380 8.911 -19.972 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.335 10.245 -19.641 1.00 0.00 H new ATOM 0 HE2 MET A 52 -9.958 11.252 -19.132 1.00 0.00 H new ATOM 0 HE3 MET A 52 -9.913 10.408 -20.699 1.00 0.00 H new ATOM 771 N ASP A 53 -4.185 9.677 -17.474 1.00 0.00 N ATOM 772 CA ASP A 53 -3.066 10.165 -16.685 1.00 0.00 C ATOM 773 C ASP A 53 -3.443 11.503 -16.046 1.00 0.00 C ATOM 774 O ASP A 53 -4.185 12.288 -16.633 1.00 0.00 O ATOM 775 CB ASP A 53 -1.832 10.391 -17.561 1.00 0.00 C ATOM 776 CG ASP A 53 -1.603 9.331 -18.641 1.00 0.00 C ATOM 777 OD1 ASP A 53 -0.947 8.319 -18.313 1.00 0.00 O ATOM 778 OD2 ASP A 53 -2.089 9.558 -19.770 1.00 0.00 O ATOM 0 H ASP A 53 -4.631 10.381 -18.062 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.838 9.417 -15.925 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.920 11.365 -18.042 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.952 10.431 -16.919 1.00 0.00 H new ATOM 783 N TRP A 54 -2.914 11.721 -14.851 1.00 0.00 N ATOM 784 CA TRP A 54 -3.185 12.950 -14.125 1.00 0.00 C ATOM 785 C TRP A 54 -2.962 14.123 -15.082 1.00 0.00 C ATOM 786 O TRP A 54 -3.919 14.738 -15.550 1.00 0.00 O ATOM 787 CB TRP A 54 -2.331 13.040 -12.859 1.00 0.00 C ATOM 788 CG TRP A 54 -3.019 12.499 -11.604 1.00 0.00 C ATOM 789 CD1 TRP A 54 -3.917 13.117 -10.825 1.00 0.00 C ATOM 790 CD2 TRP A 54 -2.827 11.197 -11.012 1.00 0.00 C ATOM 791 NE1 TRP A 54 -4.316 12.311 -9.778 1.00 0.00 N ATOM 792 CE2 TRP A 54 -3.633 11.107 -9.895 1.00 0.00 C ATOM 793 CE3 TRP A 54 -2.001 10.131 -11.407 1.00 0.00 C ATOM 794 CZ2 TRP A 54 -3.691 9.969 -9.082 1.00 0.00 C ATOM 795 CZ3 TRP A 54 -2.070 9.001 -10.584 1.00 0.00 C ATOM 796 CH2 TRP A 54 -2.875 8.894 -9.456 1.00 0.00 C ATOM 0 H TRP A 54 -2.299 11.067 -14.367 1.00 0.00 H new ATOM 0 HA TRP A 54 -4.219 12.974 -13.780 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.404 12.489 -13.019 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.058 14.082 -12.691 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.282 14.119 -10.995 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.989 12.555 -9.051 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.363 10.180 -12.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.331 9.922 -8.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.454 8.152 -10.844 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.871 7.986 -8.871 1.00 0.00 H new ATOM 807 N GLU A 55 -1.692 14.398 -15.343 1.00 0.00 N ATOM 808 CA GLU A 55 -1.331 15.486 -16.236 1.00 0.00 C ATOM 809 C GLU A 55 -0.396 14.982 -17.337 1.00 0.00 C ATOM 810 O GLU A 55 0.007 13.819 -17.330 1.00 0.00 O ATOM 811 CB GLU A 55 -0.693 16.641 -15.461 1.00 0.00 C ATOM 812 CG GLU A 55 -1.762 17.550 -14.851 1.00 0.00 C ATOM 813 CD GLU A 55 -1.177 18.410 -13.730 1.00 0.00 C ATOM 814 OE1 GLU A 55 0.010 18.781 -13.860 1.00 0.00 O ATOM 815 OE2 GLU A 55 -1.929 18.678 -12.768 1.00 0.00 O ATOM 0 H GLU A 55 -0.901 13.886 -14.952 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.240 15.863 -16.704 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.054 16.245 -14.672 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.054 17.221 -16.127 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.183 18.192 -15.625 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.580 16.944 -14.460 1.00 0.00 H new ATOM 822 N GLU A 56 -0.077 15.881 -18.256 1.00 0.00 N ATOM 823 CA GLU A 56 0.803 15.541 -19.361 1.00 0.00 C ATOM 824 C GLU A 56 2.007 14.745 -18.856 1.00 0.00 C ATOM 825 O GLU A 56 2.864 15.285 -18.157 1.00 0.00 O ATOM 826 CB GLU A 56 1.252 16.798 -20.111 1.00 0.00 C ATOM 827 CG GLU A 56 1.274 16.557 -21.621 1.00 0.00 C ATOM 828 CD GLU A 56 2.690 16.709 -22.180 1.00 0.00 C ATOM 829 OE1 GLU A 56 3.037 17.853 -22.543 1.00 0.00 O ATOM 830 OE2 GLU A 56 3.394 15.677 -22.232 1.00 0.00 O ATOM 0 H GLU A 56 -0.412 16.844 -18.258 1.00 0.00 H new ATOM 0 HA GLU A 56 0.249 14.917 -20.062 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.578 17.623 -19.881 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.245 17.093 -19.772 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.899 15.557 -21.839 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.606 17.263 -22.115 1.00 0.00 H new ATOM 837 N GLU A 57 2.034 13.474 -19.228 1.00 0.00 N ATOM 838 CA GLU A 57 3.120 12.597 -18.821 1.00 0.00 C ATOM 839 C GLU A 57 3.364 11.526 -19.885 1.00 0.00 C ATOM 840 O GLU A 57 2.687 11.499 -20.911 1.00 0.00 O ATOM 841 CB GLU A 57 2.830 11.963 -17.459 1.00 0.00 C ATOM 842 CG GLU A 57 1.610 11.042 -17.532 1.00 0.00 C ATOM 843 CD GLU A 57 1.617 10.032 -16.383 1.00 0.00 C ATOM 844 OE1 GLU A 57 1.392 10.476 -15.236 1.00 0.00 O ATOM 845 OE2 GLU A 57 1.845 8.839 -16.677 1.00 0.00 O ATOM 0 H GLU A 57 1.321 13.030 -19.807 1.00 0.00 H new ATOM 0 HA GLU A 57 4.027 13.194 -18.721 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.699 11.396 -17.125 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.656 12.745 -16.719 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.698 11.637 -17.492 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.605 10.514 -18.485 1.00 0.00 H new ATOM 852 N GLN A 58 4.334 10.668 -19.603 1.00 0.00 N ATOM 853 CA GLN A 58 4.676 9.597 -20.524 1.00 0.00 C ATOM 854 C GLN A 58 5.767 8.708 -19.922 1.00 0.00 C ATOM 855 O GLN A 58 5.746 7.491 -20.093 1.00 0.00 O ATOM 856 CB GLN A 58 5.111 10.157 -21.879 1.00 0.00 C ATOM 857 CG GLN A 58 4.328 9.502 -23.019 1.00 0.00 C ATOM 858 CD GLN A 58 4.834 9.986 -24.380 1.00 0.00 C ATOM 859 OE1 GLN A 58 6.019 10.173 -24.600 1.00 0.00 O ATOM 860 NE2 GLN A 58 3.871 10.178 -25.278 1.00 0.00 N ATOM 0 H GLN A 58 4.893 10.693 -18.750 1.00 0.00 H new ATOM 0 HA GLN A 58 3.787 8.988 -20.688 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.955 11.236 -21.898 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.178 9.987 -22.021 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.424 8.418 -22.956 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.268 9.734 -22.917 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.898 10.002 -25.028 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.106 10.501 -26.217 1.00 0.00 H new ATOM 869 N VAL A 59 6.695 9.352 -19.229 1.00 0.00 N ATOM 870 CA VAL A 59 7.792 8.636 -18.601 1.00 0.00 C ATOM 871 C VAL A 59 7.266 7.330 -18.002 1.00 0.00 C ATOM 872 O VAL A 59 7.711 6.247 -18.378 1.00 0.00 O ATOM 873 CB VAL A 59 8.479 9.532 -17.568 1.00 0.00 C ATOM 874 CG1 VAL A 59 9.338 10.598 -18.253 1.00 0.00 C ATOM 875 CG2 VAL A 59 7.455 10.173 -16.630 1.00 0.00 C ATOM 0 H VAL A 59 6.709 10.362 -19.089 1.00 0.00 H new ATOM 0 HA VAL A 59 8.549 8.374 -19.340 1.00 0.00 H new ATOM 0 HB VAL A 59 9.138 8.906 -16.966 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.815 11.222 -17.497 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.103 10.114 -18.860 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.708 11.219 -18.890 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.970 10.804 -15.906 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.759 10.779 -17.210 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.905 9.393 -16.104 1.00 0.00 H new ATOM 885 N SER A 60 6.325 7.475 -17.080 1.00 0.00 N ATOM 886 CA SER A 60 5.734 6.320 -16.426 1.00 0.00 C ATOM 887 C SER A 60 6.810 5.270 -16.144 1.00 0.00 C ATOM 888 O SER A 60 6.977 4.324 -16.912 1.00 0.00 O ATOM 889 CB SER A 60 4.615 5.717 -17.279 1.00 0.00 C ATOM 890 OG SER A 60 4.063 6.668 -18.185 1.00 0.00 O ATOM 0 H SER A 60 5.958 8.375 -16.771 1.00 0.00 H new ATOM 0 HA SER A 60 5.299 6.647 -15.482 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.004 4.866 -17.839 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.828 5.337 -16.628 1.00 0.00 H new ATOM 0 HG SER A 60 4.594 6.682 -19.009 1.00 0.00 H new ATOM 896 N SER A 61 7.513 5.473 -15.039 1.00 0.00 N ATOM 897 CA SER A 61 8.569 4.555 -14.645 1.00 0.00 C ATOM 898 C SER A 61 8.412 4.178 -13.171 1.00 0.00 C ATOM 899 O SER A 61 7.902 4.966 -12.376 1.00 0.00 O ATOM 900 CB SER A 61 9.950 5.166 -14.893 1.00 0.00 C ATOM 901 OG SER A 61 10.458 4.834 -16.182 1.00 0.00 O ATOM 0 H SER A 61 7.372 6.259 -14.405 1.00 0.00 H new ATOM 0 HA SER A 61 8.485 3.655 -15.254 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.889 6.250 -14.796 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.644 4.816 -14.129 1.00 0.00 H new ATOM 0 HG SER A 61 11.340 5.244 -16.302 1.00 0.00 H new ATOM 907 N PRO A 62 8.871 2.941 -12.842 1.00 0.00 N ATOM 908 CA PRO A 62 8.786 2.450 -11.477 1.00 0.00 C ATOM 909 C PRO A 62 9.840 3.114 -10.589 1.00 0.00 C ATOM 910 O PRO A 62 9.709 3.124 -9.366 1.00 0.00 O ATOM 911 CB PRO A 62 8.968 0.945 -11.589 1.00 0.00 C ATOM 912 CG PRO A 62 9.608 0.701 -12.946 1.00 0.00 C ATOM 913 CD PRO A 62 9.480 1.980 -13.757 1.00 0.00 C ATOM 0 HA PRO A 62 7.834 2.689 -11.002 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.601 0.567 -10.786 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.011 0.429 -11.510 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.656 0.426 -12.830 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.116 -0.126 -13.457 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.453 2.327 -14.105 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.861 1.828 -14.641 1.00 0.00 H new ATOM 921 N ASN A 63 10.861 3.654 -11.239 1.00 0.00 N ATOM 922 CA ASN A 63 11.936 4.319 -10.523 1.00 0.00 C ATOM 923 C ASN A 63 11.420 5.640 -9.949 1.00 0.00 C ATOM 924 O ASN A 63 12.031 6.210 -9.046 1.00 0.00 O ATOM 925 CB ASN A 63 13.106 4.635 -11.457 1.00 0.00 C ATOM 926 CG ASN A 63 14.069 3.449 -11.550 1.00 0.00 C ATOM 927 OD1 ASN A 63 14.989 3.300 -10.763 1.00 0.00 O ATOM 928 ND2 ASN A 63 13.806 2.617 -12.554 1.00 0.00 N ATOM 0 H ASN A 63 10.966 3.644 -12.254 1.00 0.00 H new ATOM 0 HA ASN A 63 12.276 3.653 -9.730 1.00 0.00 H new ATOM 0 HB2 ASN A 63 12.728 4.880 -12.450 1.00 0.00 H new ATOM 0 HB3 ASN A 63 13.639 5.513 -11.094 1.00 0.00 H new ATOM 0 HD21 ASN A 63 14.391 1.795 -12.701 1.00 0.00 H new ATOM 0 HD22 ASN A 63 13.019 2.801 -13.176 1.00 0.00 H new ATOM 935 N ILE A 64 10.299 6.089 -10.496 1.00 0.00 N ATOM 936 CA ILE A 64 9.694 7.332 -10.049 1.00 0.00 C ATOM 937 C ILE A 64 8.287 7.048 -9.519 1.00 0.00 C ATOM 938 O ILE A 64 7.342 7.767 -9.839 1.00 0.00 O ATOM 939 CB ILE A 64 9.731 8.377 -11.166 1.00 0.00 C ATOM 940 CG1 ILE A 64 9.684 7.711 -12.542 1.00 0.00 C ATOM 941 CG2 ILE A 64 10.944 9.298 -11.015 1.00 0.00 C ATOM 942 CD1 ILE A 64 9.336 8.727 -13.631 1.00 0.00 C ATOM 0 H ILE A 64 9.794 5.614 -11.244 1.00 0.00 H new ATOM 0 HA ILE A 64 10.265 7.759 -9.225 1.00 0.00 H new ATOM 0 HB ILE A 64 8.841 9.000 -11.080 1.00 0.00 H new ATOM 0 HG12 ILE A 64 10.649 7.253 -12.762 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.945 6.910 -12.537 1.00 0.00 H new ATOM 0 HG21 ILE A 64 10.947 10.031 -11.821 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.892 9.813 -10.056 1.00 0.00 H new ATOM 0 HG23 ILE A 64 11.858 8.706 -11.060 1.00 0.00 H new ATOM 0 HD11 ILE A 64 9.309 8.228 -14.599 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.360 9.165 -13.421 1.00 0.00 H new ATOM 0 HD13 ILE A 64 10.090 9.514 -13.649 1.00 0.00 H new ATOM 954 N LEU A 65 8.193 5.997 -8.717 1.00 0.00 N ATOM 955 CA LEU A 65 6.917 5.609 -8.140 1.00 0.00 C ATOM 956 C LEU A 65 7.155 4.980 -6.765 1.00 0.00 C ATOM 957 O LEU A 65 7.562 3.823 -6.670 1.00 0.00 O ATOM 958 CB LEU A 65 6.145 4.706 -9.104 1.00 0.00 C ATOM 959 CG LEU A 65 5.189 5.413 -10.066 1.00 0.00 C ATOM 960 CD1 LEU A 65 4.839 4.513 -11.252 1.00 0.00 C ATOM 961 CD2 LEU A 65 3.940 5.906 -9.332 1.00 0.00 C ATOM 0 H LEU A 65 8.979 5.403 -8.453 1.00 0.00 H new ATOM 0 HA LEU A 65 6.286 6.485 -7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.865 4.136 -9.692 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.573 3.987 -8.517 1.00 0.00 H new ATOM 0 HG LEU A 65 5.695 6.291 -10.467 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.158 5.040 -11.920 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.749 4.253 -11.793 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.360 3.603 -10.890 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.276 6.405 -10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.422 5.058 -8.885 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.231 6.607 -8.550 1.00 0.00 H new ATOM 973 N ARG A 66 6.890 5.770 -5.735 1.00 0.00 N ATOM 974 CA ARG A 66 7.070 5.305 -4.370 1.00 0.00 C ATOM 975 C ARG A 66 5.712 5.123 -3.689 1.00 0.00 C ATOM 976 O ARG A 66 4.879 6.027 -3.704 1.00 0.00 O ATOM 977 CB ARG A 66 7.912 6.292 -3.559 1.00 0.00 C ATOM 978 CG ARG A 66 9.392 5.908 -3.592 1.00 0.00 C ATOM 979 CD ARG A 66 9.855 5.391 -2.229 1.00 0.00 C ATOM 980 NE ARG A 66 11.286 5.015 -2.289 1.00 0.00 N ATOM 981 CZ ARG A 66 11.750 3.923 -2.912 1.00 0.00 C ATOM 982 NH1 ARG A 66 10.900 3.093 -3.531 1.00 0.00 N ATOM 983 NH2 ARG A 66 13.064 3.662 -2.915 1.00 0.00 N ATOM 0 H ARG A 66 6.552 6.729 -5.818 1.00 0.00 H new ATOM 0 HA ARG A 66 7.591 4.349 -4.411 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.785 7.298 -3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.561 6.312 -2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.556 5.142 -4.350 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.990 6.773 -3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.704 6.158 -1.469 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.256 4.529 -1.935 1.00 0.00 H new ATOM 0 HE ARG A 66 11.961 5.625 -1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.900 3.292 -3.528 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.253 2.262 -4.005 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.711 4.294 -2.443 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.418 2.831 -3.389 1.00 0.00 H new ATOM 997 N LEU A 67 5.532 3.946 -3.106 1.00 0.00 N ATOM 998 CA LEU A 67 4.290 3.633 -2.421 1.00 0.00 C ATOM 999 C LEU A 67 4.511 3.722 -0.909 1.00 0.00 C ATOM 1000 O LEU A 67 5.389 3.053 -0.366 1.00 0.00 O ATOM 1001 CB LEU A 67 3.748 2.279 -2.884 1.00 0.00 C ATOM 1002 CG LEU A 67 3.355 1.300 -1.777 1.00 0.00 C ATOM 1003 CD1 LEU A 67 2.114 1.789 -1.028 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.167 -0.112 -2.336 1.00 0.00 C ATOM 0 H LEU A 67 6.226 3.198 -3.094 1.00 0.00 H new ATOM 0 HA LEU A 67 3.521 4.362 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.875 2.455 -3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.502 1.804 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 67 4.170 1.255 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.856 1.075 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.320 2.760 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.281 1.881 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.888 -0.789 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.380 -0.103 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.099 -0.451 -2.788 1.00 0.00 H new ATOM 1016 N ILE A 68 3.699 4.554 -0.273 1.00 0.00 N ATOM 1017 CA ILE A 68 3.794 4.739 1.165 1.00 0.00 C ATOM 1018 C ILE A 68 2.803 3.804 1.862 1.00 0.00 C ATOM 1019 O ILE A 68 1.674 3.638 1.404 1.00 0.00 O ATOM 1020 CB ILE A 68 3.610 6.213 1.529 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.741 7.066 0.951 1.00 0.00 C ATOM 1022 CG2 ILE A 68 3.474 6.392 3.043 1.00 0.00 C ATOM 1023 CD1 ILE A 68 4.292 7.778 -0.327 1.00 0.00 C ATOM 0 H ILE A 68 2.972 5.107 -0.727 1.00 0.00 H new ATOM 0 HA ILE A 68 4.789 4.470 1.519 1.00 0.00 H new ATOM 0 HB ILE A 68 2.681 6.562 1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.060 7.802 1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.604 6.435 0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.344 7.449 3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.608 5.834 3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.373 6.020 3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.114 8.378 -0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.997 7.038 -1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.445 8.426 -0.104 1.00 0.00 H new ATOM 1035 N TYR A 69 3.261 3.220 2.959 1.00 0.00 N ATOM 1036 CA TYR A 69 2.429 2.307 3.724 1.00 0.00 C ATOM 1037 C TYR A 69 2.642 2.499 5.227 1.00 0.00 C ATOM 1038 O TYR A 69 3.752 2.322 5.728 1.00 0.00 O ATOM 1039 CB TYR A 69 2.879 0.898 3.333 1.00 0.00 C ATOM 1040 CG TYR A 69 2.177 -0.218 4.110 1.00 0.00 C ATOM 1041 CD1 TYR A 69 0.909 -0.015 4.614 1.00 0.00 C ATOM 1042 CD2 TYR A 69 2.813 -1.427 4.307 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.248 -1.065 5.345 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.152 -2.477 5.038 1.00 0.00 C ATOM 1045 CZ TYR A 69 0.902 -2.244 5.521 1.00 0.00 C ATOM 1046 OH TYR A 69 0.278 -3.236 6.212 1.00 0.00 O ATOM 0 H TYR A 69 4.198 3.361 3.337 1.00 0.00 H new ATOM 0 HA TYR A 69 1.374 2.482 3.514 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.700 0.753 2.268 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.954 0.815 3.490 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.412 0.931 4.460 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.806 -1.586 3.913 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.745 -0.919 5.744 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.638 -3.428 5.199 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.691 -3.161 6.088 1.00 0.00 H new ATOM 1056 N GLN A 70 1.562 2.858 5.904 1.00 0.00 N ATOM 1057 CA GLN A 70 1.616 3.075 7.340 1.00 0.00 C ATOM 1058 C GLN A 70 2.458 4.313 7.657 1.00 0.00 C ATOM 1059 O GLN A 70 2.781 4.568 8.816 1.00 0.00 O ATOM 1060 CB GLN A 70 2.161 1.841 8.061 1.00 0.00 C ATOM 1061 CG GLN A 70 1.024 0.992 8.632 1.00 0.00 C ATOM 1062 CD GLN A 70 1.360 0.500 10.041 1.00 0.00 C ATOM 1063 OE1 GLN A 70 2.288 -0.263 10.255 1.00 0.00 O ATOM 1064 NE2 GLN A 70 0.557 0.978 10.987 1.00 0.00 N ATOM 0 H GLN A 70 0.644 3.004 5.485 1.00 0.00 H new ATOM 0 HA GLN A 70 0.602 3.247 7.701 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.753 1.243 7.368 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.828 2.151 8.866 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.105 1.578 8.657 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.840 0.139 7.979 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.201 1.613 10.739 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.700 0.709 11.961 1.00 0.00 H new ATOM 1073 N GLY A 71 2.790 5.049 6.607 1.00 0.00 N ATOM 1074 CA GLY A 71 3.588 6.254 6.759 1.00 0.00 C ATOM 1075 C GLY A 71 4.940 6.108 6.057 1.00 0.00 C ATOM 1076 O GLY A 71 5.421 7.049 5.428 1.00 0.00 O ATOM 0 H GLY A 71 2.521 4.834 5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.049 7.106 6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.744 6.460 7.818 1.00 0.00 H new ATOM 1080 N ARG A 72 5.514 4.921 6.190 1.00 0.00 N ATOM 1081 CA ARG A 72 6.801 4.640 5.577 1.00 0.00 C ATOM 1082 C ARG A 72 6.625 4.344 4.086 1.00 0.00 C ATOM 1083 O ARG A 72 5.512 4.401 3.565 1.00 0.00 O ATOM 1084 CB ARG A 72 7.483 3.448 6.250 1.00 0.00 C ATOM 1085 CG ARG A 72 6.625 2.187 6.132 1.00 0.00 C ATOM 1086 CD ARG A 72 7.391 0.955 6.617 1.00 0.00 C ATOM 1087 NE ARG A 72 7.937 0.210 5.461 1.00 0.00 N ATOM 1088 CZ ARG A 72 8.705 -0.883 5.566 1.00 0.00 C ATOM 1089 NH1 ARG A 72 9.023 -1.365 6.775 1.00 0.00 N ATOM 1090 NH2 ARG A 72 9.156 -1.494 4.461 1.00 0.00 N ATOM 0 H ARG A 72 5.112 4.143 6.713 1.00 0.00 H new ATOM 0 HA ARG A 72 7.429 5.522 5.704 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.456 3.274 5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.662 3.673 7.301 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.714 2.307 6.718 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.321 2.046 5.095 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.201 1.258 7.280 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.730 0.310 7.196 1.00 0.00 H new ATOM 0 HE ARG A 72 7.715 0.550 4.525 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.680 -0.900 7.616 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.608 -2.197 6.855 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.914 -1.127 3.541 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.741 -2.326 4.541 1.00 0.00 H new ATOM 1104 N PHE A 73 7.740 4.033 3.441 1.00 0.00 N ATOM 1105 CA PHE A 73 7.723 3.727 2.021 1.00 0.00 C ATOM 1106 C PHE A 73 8.118 2.271 1.769 1.00 0.00 C ATOM 1107 O PHE A 73 8.901 1.696 2.524 1.00 0.00 O ATOM 1108 CB PHE A 73 8.750 4.645 1.354 1.00 0.00 C ATOM 1109 CG PHE A 73 8.422 6.134 1.469 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.643 6.791 2.639 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.908 6.802 0.401 1.00 0.00 C ATOM 1112 CE1 PHE A 73 8.338 8.174 2.746 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.603 8.185 0.508 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.825 8.842 1.678 1.00 0.00 C ATOM 0 H PHE A 73 8.661 3.986 3.876 1.00 0.00 H new ATOM 0 HA PHE A 73 6.721 3.878 1.620 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.728 4.464 1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.827 4.381 0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.051 6.261 3.487 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.732 6.281 -0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.513 8.695 3.675 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.195 8.715 -0.340 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.594 9.894 1.759 1.00 0.00 H new ATOM 1124 N LEU A 74 7.559 1.715 0.704 1.00 0.00 N ATOM 1125 CA LEU A 74 7.843 0.337 0.343 1.00 0.00 C ATOM 1126 C LEU A 74 8.774 0.314 -0.871 1.00 0.00 C ATOM 1127 O LEU A 74 8.721 1.206 -1.716 1.00 0.00 O ATOM 1128 CB LEU A 74 6.542 -0.441 0.135 1.00 0.00 C ATOM 1129 CG LEU A 74 5.560 -0.432 1.308 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.318 -1.268 0.990 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.243 -0.889 2.598 1.00 0.00 C ATOM 0 H LEU A 74 6.911 2.194 0.079 1.00 0.00 H new ATOM 0 HA LEU A 74 8.364 -0.170 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.035 -0.035 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.794 -1.476 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 74 5.226 0.594 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.636 -1.245 1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.818 -0.858 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.614 -2.298 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.523 -0.873 3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.624 -1.902 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.070 -0.218 2.830 1.00 0.00 H new ATOM 1143 N HIS A 75 9.606 -0.717 -0.919 1.00 0.00 N ATOM 1144 CA HIS A 75 10.547 -0.868 -2.015 1.00 0.00 C ATOM 1145 C HIS A 75 9.794 -1.254 -3.289 1.00 0.00 C ATOM 1146 O HIS A 75 8.658 -1.722 -3.225 1.00 0.00 O ATOM 1147 CB HIS A 75 11.649 -1.866 -1.651 1.00 0.00 C ATOM 1148 CG HIS A 75 13.038 -1.415 -2.034 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.681 -1.858 -3.176 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.898 -0.556 -1.416 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.875 -1.286 -3.233 1.00 0.00 C ATOM 1152 NE2 HIS A 75 15.007 -0.479 -2.140 1.00 0.00 N ATOM 0 H HIS A 75 9.647 -1.455 -0.216 1.00 0.00 H new ATOM 0 HA HIS A 75 11.046 0.082 -2.204 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.620 -2.047 -0.577 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.439 -2.817 -2.140 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.708 -0.028 -0.493 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.613 -1.432 -4.007 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.824 0.090 -1.917 1.00 0.00 H new ATOM 1160 N GLY A 76 10.457 -1.045 -4.417 1.00 0.00 N ATOM 1161 CA GLY A 76 9.865 -1.365 -5.704 1.00 0.00 C ATOM 1162 C GLY A 76 9.939 -2.867 -5.983 1.00 0.00 C ATOM 1163 O GLY A 76 9.165 -3.393 -6.782 1.00 0.00 O ATOM 0 H GLY A 76 11.399 -0.658 -4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.825 -1.039 -5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.383 -0.819 -6.492 1.00 0.00 H new ATOM 1167 N ASN A 77 10.878 -3.516 -5.309 1.00 0.00 N ATOM 1168 CA ASN A 77 11.063 -4.948 -5.475 1.00 0.00 C ATOM 1169 C ASN A 77 10.191 -5.691 -4.461 1.00 0.00 C ATOM 1170 O ASN A 77 9.909 -6.876 -4.631 1.00 0.00 O ATOM 1171 CB ASN A 77 12.520 -5.347 -5.228 1.00 0.00 C ATOM 1172 CG ASN A 77 13.101 -6.077 -6.440 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.846 -5.737 -7.584 1.00 0.00 O ATOM 1174 ND2 ASN A 77 13.895 -7.098 -6.127 1.00 0.00 N ATOM 0 H ASN A 77 11.518 -3.077 -4.647 1.00 0.00 H new ATOM 0 HA ASN A 77 10.786 -5.208 -6.497 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.113 -4.458 -5.016 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.581 -5.988 -4.349 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.332 -7.649 -6.866 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.067 -7.329 -5.149 1.00 0.00 H new ATOM 1181 N VAL A 78 9.789 -4.965 -3.429 1.00 0.00 N ATOM 1182 CA VAL A 78 8.955 -5.541 -2.388 1.00 0.00 C ATOM 1183 C VAL A 78 7.711 -6.164 -3.024 1.00 0.00 C ATOM 1184 O VAL A 78 7.230 -5.689 -4.052 1.00 0.00 O ATOM 1185 CB VAL A 78 8.621 -4.479 -1.338 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.336 -4.835 -0.588 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.787 -4.283 -0.366 1.00 0.00 C ATOM 0 H VAL A 78 10.025 -3.982 -3.291 1.00 0.00 H new ATOM 0 HA VAL A 78 9.488 -6.337 -1.868 1.00 0.00 H new ATOM 0 HB VAL A 78 8.455 -3.535 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.121 -4.064 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.509 -4.900 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.461 -5.795 -0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.524 -3.523 0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.998 -5.223 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.671 -3.963 -0.918 1.00 0.00 H new ATOM 1197 N THR A 79 7.225 -7.219 -2.386 1.00 0.00 N ATOM 1198 CA THR A 79 6.046 -7.913 -2.877 1.00 0.00 C ATOM 1199 C THR A 79 5.113 -8.265 -1.717 1.00 0.00 C ATOM 1200 O THR A 79 5.570 -8.670 -0.649 1.00 0.00 O ATOM 1201 CB THR A 79 6.513 -9.132 -3.674 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.383 -9.820 -2.779 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.413 -8.753 -4.852 1.00 0.00 C ATOM 0 H THR A 79 7.626 -7.610 -1.534 1.00 0.00 H new ATOM 0 HA THR A 79 5.461 -7.278 -3.542 1.00 0.00 H new ATOM 0 HB THR A 79 5.645 -9.678 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.730 -10.626 -3.215 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.716 -9.655 -5.383 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.867 -8.098 -5.531 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.298 -8.236 -4.482 1.00 0.00 H new ATOM 1211 N LEU A 80 3.823 -8.098 -1.965 1.00 0.00 N ATOM 1212 CA LEU A 80 2.821 -8.394 -0.954 1.00 0.00 C ATOM 1213 C LEU A 80 3.226 -9.660 -0.197 1.00 0.00 C ATOM 1214 O LEU A 80 3.015 -9.760 1.011 1.00 0.00 O ATOM 1215 CB LEU A 80 1.430 -8.473 -1.585 1.00 0.00 C ATOM 1216 CG LEU A 80 0.730 -7.136 -1.836 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.568 -7.335 -2.620 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.497 -6.385 -0.523 1.00 0.00 C ATOM 0 H LEU A 80 3.448 -7.761 -2.852 1.00 0.00 H new ATOM 0 HA LEU A 80 2.768 -7.588 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.513 -9.001 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.794 -9.078 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 80 1.385 -6.517 -2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.045 -6.369 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.345 -7.798 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.240 -7.980 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.002 -5.438 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.128 -6.989 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.455 -6.193 -0.039 1.00 0.00 H new ATOM 1230 N GLY A 81 3.801 -10.597 -0.938 1.00 0.00 N ATOM 1231 CA GLY A 81 4.237 -11.852 -0.352 1.00 0.00 C ATOM 1232 C GLY A 81 5.263 -11.613 0.757 1.00 0.00 C ATOM 1233 O GLY A 81 5.116 -12.126 1.866 1.00 0.00 O ATOM 0 H GLY A 81 3.975 -10.511 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.377 -12.387 0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.672 -12.486 -1.124 1.00 0.00 H new ATOM 1237 N ALA A 82 6.279 -10.832 0.421 1.00 0.00 N ATOM 1238 CA ALA A 82 7.330 -10.518 1.374 1.00 0.00 C ATOM 1239 C ALA A 82 6.732 -9.736 2.546 1.00 0.00 C ATOM 1240 O ALA A 82 7.317 -9.687 3.626 1.00 0.00 O ATOM 1241 CB ALA A 82 8.446 -9.747 0.668 1.00 0.00 C ATOM 0 H ALA A 82 6.397 -10.407 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 82 7.769 -11.431 1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.234 -9.512 1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.857 -10.357 -0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.044 -8.822 0.254 1.00 0.00 H new ATOM 1247 N LEU A 83 5.574 -9.145 2.291 1.00 0.00 N ATOM 1248 CA LEU A 83 4.890 -8.368 3.311 1.00 0.00 C ATOM 1249 C LEU A 83 3.987 -9.292 4.131 1.00 0.00 C ATOM 1250 O LEU A 83 3.296 -8.842 5.043 1.00 0.00 O ATOM 1251 CB LEU A 83 4.151 -7.187 2.680 1.00 0.00 C ATOM 1252 CG LEU A 83 5.010 -6.211 1.873 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.157 -5.083 1.290 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.170 -5.677 2.714 1.00 0.00 C ATOM 0 H LEU A 83 5.092 -9.188 1.393 1.00 0.00 H new ATOM 0 HA LEU A 83 5.610 -7.930 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.371 -7.579 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.652 -6.630 3.473 1.00 0.00 H new ATOM 0 HG LEU A 83 5.445 -6.753 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.792 -4.404 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.396 -5.504 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.674 -4.536 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.765 -4.986 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.777 -5.156 3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.797 -6.508 3.039 1.00 0.00 H new ATOM 1266 N LYS A 84 4.022 -10.568 3.775 1.00 0.00 N ATOM 1267 CA LYS A 84 3.215 -11.559 4.466 1.00 0.00 C ATOM 1268 C LYS A 84 1.922 -10.906 4.957 1.00 0.00 C ATOM 1269 O LYS A 84 1.499 -11.133 6.090 1.00 0.00 O ATOM 1270 CB LYS A 84 4.026 -12.231 5.576 1.00 0.00 C ATOM 1271 CG LYS A 84 4.726 -11.188 6.451 1.00 0.00 C ATOM 1272 CD LYS A 84 3.756 -10.589 7.471 1.00 0.00 C ATOM 1273 CE LYS A 84 4.510 -10.025 8.677 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.564 -9.657 9.754 1.00 0.00 N ATOM 0 H LYS A 84 4.596 -10.938 3.018 1.00 0.00 H new ATOM 0 HA LYS A 84 2.928 -12.359 3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.368 -12.845 6.191 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.767 -12.899 5.137 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.567 -11.648 6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.134 -10.396 5.823 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.171 -9.799 7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.053 -11.353 7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.221 -10.764 9.046 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.086 -9.150 8.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.092 -9.276 10.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.901 -8.936 9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.033 -10.500 10.052 1.00 0.00 H new ATOM 1288 N LEU A 85 1.330 -10.107 4.082 1.00 0.00 N ATOM 1289 CA LEU A 85 0.094 -9.419 4.412 1.00 0.00 C ATOM 1290 C LEU A 85 -1.037 -10.442 4.533 1.00 0.00 C ATOM 1291 O LEU A 85 -1.011 -11.482 3.878 1.00 0.00 O ATOM 1292 CB LEU A 85 -0.188 -8.307 3.400 1.00 0.00 C ATOM 1293 CG LEU A 85 -0.219 -6.883 3.959 1.00 0.00 C ATOM 1294 CD1 LEU A 85 0.879 -6.680 5.005 1.00 0.00 C ATOM 1295 CD2 LEU A 85 -0.136 -5.850 2.833 1.00 0.00 C ATOM 0 H LEU A 85 1.684 -9.921 3.144 1.00 0.00 H new ATOM 0 HA LEU A 85 0.181 -8.923 5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.571 -8.353 2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.148 -8.510 2.925 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.174 -6.735 4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.834 -5.660 5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.733 -7.381 5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.853 -6.855 4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.160 -4.846 3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.793 -5.988 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.982 -5.979 2.158 1.00 0.00 H new ATOM 1307 N PRO A 86 -2.030 -10.101 5.398 1.00 0.00 N ATOM 1308 CA PRO A 86 -3.169 -10.978 5.613 1.00 0.00 C ATOM 1309 C PRO A 86 -4.135 -10.923 4.427 1.00 0.00 C ATOM 1310 O PRO A 86 -4.449 -9.844 3.927 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.795 -10.498 6.912 1.00 0.00 C ATOM 1312 CG PRO A 86 -3.269 -9.089 7.133 1.00 0.00 C ATOM 1313 CD PRO A 86 -2.095 -8.877 6.190 1.00 0.00 C ATOM 0 HA PRO A 86 -2.884 -12.027 5.688 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.883 -10.503 6.846 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.523 -11.151 7.741 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -4.051 -8.355 6.940 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.956 -8.956 8.169 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.249 -8.003 5.557 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.169 -8.712 6.741 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.579 -12.100 4.012 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.503 -12.199 2.895 1.00 0.00 C ATOM 1323 C PHE A 87 -6.927 -11.844 3.328 1.00 0.00 C ATOM 1324 O PHE A 87 -7.227 -11.812 4.520 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.475 -13.653 2.420 1.00 0.00 C ATOM 1326 CG PHE A 87 -4.115 -14.108 1.887 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.309 -13.225 1.239 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.712 -15.395 2.061 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -2.046 -13.647 0.744 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.449 -15.817 1.567 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.643 -14.934 0.919 1.00 0.00 C ATOM 0 H PHE A 87 -4.316 -12.993 4.429 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.209 -11.507 2.106 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.764 -14.300 3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.222 -13.783 1.637 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.629 -12.203 1.101 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.352 -16.096 2.575 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.406 -12.946 0.229 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.129 -16.839 1.706 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.683 -15.255 0.543 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.765 -11.585 2.335 1.00 0.00 N ATOM 1342 CA GLY A 88 -9.150 -11.234 2.598 1.00 0.00 C ATOM 1343 C GLY A 88 -9.243 -10.082 3.601 1.00 0.00 C ATOM 1344 O GLY A 88 -10.181 -10.019 4.394 1.00 0.00 O ATOM 0 H GLY A 88 -7.512 -11.611 1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.640 -10.950 1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.682 -12.103 2.986 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.256 -9.201 3.534 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.214 -8.055 4.427 1.00 0.00 C ATOM 1350 C LYS A 89 -8.065 -6.776 3.601 1.00 0.00 C ATOM 1351 O LYS A 89 -7.980 -6.830 2.375 1.00 0.00 O ATOM 1352 CB LYS A 89 -7.120 -8.237 5.481 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.599 -9.142 6.618 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.862 -8.333 7.889 1.00 0.00 C ATOM 1355 CE LYS A 89 -7.138 -8.946 9.089 1.00 0.00 C ATOM 1356 NZ LYS A 89 -7.902 -10.097 9.623 1.00 0.00 N ATOM 0 H LYS A 89 -7.479 -9.257 2.875 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.148 -7.970 4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.232 -8.668 5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.831 -7.265 5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.510 -9.659 6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.849 -9.908 6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.529 -7.305 7.745 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.933 -8.297 8.086 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.140 -9.270 8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.011 -8.194 9.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.397 -10.501 10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.845 -9.778 9.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.002 -10.821 8.883 1.00 0.00 H new ATOM 1370 N THR A 90 -8.038 -5.654 4.306 1.00 0.00 N ATOM 1371 CA THR A 90 -7.901 -4.363 3.654 1.00 0.00 C ATOM 1372 C THR A 90 -6.713 -3.595 4.236 1.00 0.00 C ATOM 1373 O THR A 90 -6.650 -3.363 5.442 1.00 0.00 O ATOM 1374 CB THR A 90 -9.232 -3.620 3.791 1.00 0.00 C ATOM 1375 OG1 THR A 90 -10.160 -4.436 3.081 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.243 -2.293 3.030 1.00 0.00 C ATOM 0 H THR A 90 -8.109 -5.613 5.323 1.00 0.00 H new ATOM 0 HA THR A 90 -7.684 -4.477 2.592 1.00 0.00 H new ATOM 0 HB THR A 90 -9.437 -3.435 4.845 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.050 -4.029 3.120 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.210 -1.807 3.160 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.456 -1.645 3.417 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.071 -2.480 1.970 1.00 0.00 H new ATOM 1384 N THR A 91 -5.801 -3.220 3.351 1.00 0.00 N ATOM 1385 CA THR A 91 -4.618 -2.482 3.762 1.00 0.00 C ATOM 1386 C THR A 91 -4.714 -1.025 3.307 1.00 0.00 C ATOM 1387 O THR A 91 -5.376 -0.723 2.315 1.00 0.00 O ATOM 1388 CB THR A 91 -3.391 -3.212 3.211 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.135 -4.233 4.171 1.00 0.00 O ATOM 1390 CG2 THR A 91 -2.131 -2.345 3.244 1.00 0.00 C ATOM 0 H THR A 91 -5.857 -3.413 2.351 1.00 0.00 H new ATOM 0 HA THR A 91 -4.532 -2.445 4.848 1.00 0.00 H new ATOM 0 HB THR A 91 -3.587 -3.529 2.187 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.355 -4.757 3.891 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.290 -2.910 2.842 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.289 -1.451 2.641 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.915 -2.055 4.272 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.043 -0.160 4.053 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.045 1.259 3.739 1.00 0.00 C ATOM 1400 C VAL A 92 -2.687 1.647 3.150 1.00 0.00 C ATOM 1401 O VAL A 92 -1.645 1.337 3.726 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.411 2.070 4.983 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.258 3.570 4.724 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -5.827 1.737 5.458 1.00 0.00 C ATOM 0 H VAL A 92 -3.494 -0.414 4.874 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.802 1.483 2.988 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.718 1.795 5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.524 4.124 5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.225 3.789 4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.916 3.867 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.062 2.327 6.344 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.540 1.970 4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.889 0.676 5.702 1.00 0.00 H new ATOM 1414 N MET A 93 -2.743 2.320 2.010 1.00 0.00 N ATOM 1415 CA MET A 93 -1.530 2.755 1.337 1.00 0.00 C ATOM 1416 C MET A 93 -1.774 4.040 0.544 1.00 0.00 C ATOM 1417 O MET A 93 -2.874 4.263 0.040 1.00 0.00 O ATOM 1418 CB MET A 93 -1.050 1.653 0.390 1.00 0.00 C ATOM 1419 CG MET A 93 -0.345 0.535 1.162 1.00 0.00 C ATOM 1420 SD MET A 93 0.199 -0.736 0.034 1.00 0.00 S ATOM 1421 CE MET A 93 1.109 -1.781 1.161 1.00 0.00 C ATOM 0 H MET A 93 -3.609 2.575 1.535 1.00 0.00 H new ATOM 0 HA MET A 93 -0.769 2.956 2.091 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.899 1.243 -0.157 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.369 2.075 -0.349 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.509 0.940 1.706 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.023 0.110 1.903 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.872 -2.331 0.611 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.585 -1.165 1.924 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.426 -2.485 1.636 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.730 4.851 0.457 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.817 6.108 -0.267 1.00 0.00 C ATOM 1433 C HIS A 94 -0.071 5.987 -1.597 1.00 0.00 C ATOM 1434 O HIS A 94 0.897 5.235 -1.703 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.309 7.266 0.594 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.370 7.892 1.469 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -1.530 7.562 2.804 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.319 8.829 1.187 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -2.535 8.274 3.293 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.023 9.059 2.289 1.00 0.00 N ATOM 0 H HIS A 94 0.181 4.662 0.876 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.860 6.330 -0.494 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.503 6.906 1.226 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.110 8.033 -0.057 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.472 9.304 0.229 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -2.903 8.239 4.308 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -3.800 9.714 2.372 1.00 0.00 H new ATOM 1448 N LEU A 95 -0.549 6.738 -2.578 1.00 0.00 N ATOM 1449 CA LEU A 95 0.060 6.724 -3.897 1.00 0.00 C ATOM 1450 C LEU A 95 0.649 8.104 -4.196 1.00 0.00 C ATOM 1451 O LEU A 95 0.090 9.122 -3.791 1.00 0.00 O ATOM 1452 CB LEU A 95 -0.944 6.243 -4.946 1.00 0.00 C ATOM 1453 CG LEU A 95 -0.393 5.305 -6.022 1.00 0.00 C ATOM 1454 CD1 LEU A 95 -1.456 5.000 -7.080 1.00 0.00 C ATOM 1455 CD2 LEU A 95 0.886 5.871 -6.640 1.00 0.00 C ATOM 0 H LEU A 95 -1.352 7.361 -2.486 1.00 0.00 H new ATOM 0 HA LEU A 95 0.884 6.011 -3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.760 5.735 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.372 7.117 -5.438 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.130 4.359 -5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.039 4.331 -7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.314 4.523 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.773 5.928 -7.555 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.257 5.185 -7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.673 6.838 -7.096 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.641 5.994 -5.864 1.00 0.00 H new ATOM 1467 N VAL A 96 1.770 8.093 -4.902 1.00 0.00 N ATOM 1468 CA VAL A 96 2.441 9.331 -5.260 1.00 0.00 C ATOM 1469 C VAL A 96 3.297 9.100 -6.508 1.00 0.00 C ATOM 1470 O VAL A 96 3.495 7.960 -6.926 1.00 0.00 O ATOM 1471 CB VAL A 96 3.249 9.852 -4.070 1.00 0.00 C ATOM 1472 CG1 VAL A 96 2.338 10.146 -2.876 1.00 0.00 C ATOM 1473 CG2 VAL A 96 4.355 8.867 -3.685 1.00 0.00 C ATOM 0 H VAL A 96 2.231 7.246 -5.236 1.00 0.00 H new ATOM 0 HA VAL A 96 1.712 10.103 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 96 3.722 10.787 -4.370 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.937 10.515 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.603 10.900 -3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.824 9.232 -2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.914 9.261 -2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.911 7.909 -3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.029 8.728 -4.530 1.00 0.00 H new ATOM 1483 N ALA A 97 3.780 10.200 -7.067 1.00 0.00 N ATOM 1484 CA ALA A 97 4.609 10.131 -8.258 1.00 0.00 C ATOM 1485 C ALA A 97 5.927 10.863 -7.999 1.00 0.00 C ATOM 1486 O ALA A 97 5.928 12.028 -7.604 1.00 0.00 O ATOM 1487 CB ALA A 97 3.843 10.714 -9.447 1.00 0.00 C ATOM 0 H ALA A 97 3.613 11.143 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 97 4.848 9.096 -8.500 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.465 10.662 -10.341 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.929 10.142 -9.607 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.589 11.754 -9.241 1.00 0.00 H new ATOM 1493 N ARG A 98 7.019 10.149 -8.231 1.00 0.00 N ATOM 1494 CA ARG A 98 8.341 10.715 -8.028 1.00 0.00 C ATOM 1495 C ARG A 98 8.870 11.312 -9.334 1.00 0.00 C ATOM 1496 O ARG A 98 8.292 11.095 -10.398 1.00 0.00 O ATOM 1497 CB ARG A 98 9.323 9.655 -7.525 1.00 0.00 C ATOM 1498 CG ARG A 98 9.929 10.063 -6.180 1.00 0.00 C ATOM 1499 CD ARG A 98 8.835 10.333 -5.146 1.00 0.00 C ATOM 1500 NE ARG A 98 9.024 11.674 -4.548 1.00 0.00 N ATOM 1501 CZ ARG A 98 8.127 12.276 -3.754 1.00 0.00 C ATOM 1502 NH1 ARG A 98 6.974 11.661 -3.459 1.00 0.00 N ATOM 1503 NH2 ARG A 98 8.384 13.493 -3.256 1.00 0.00 N ATOM 0 H ARG A 98 7.015 9.183 -8.558 1.00 0.00 H new ATOM 0 HA ARG A 98 8.254 11.499 -7.276 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.810 8.699 -7.422 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.117 9.513 -8.258 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.588 9.273 -5.820 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.541 10.956 -6.309 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.854 10.271 -5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.863 9.571 -4.367 1.00 0.00 H new ATOM 0 HE ARG A 98 9.891 12.171 -4.753 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.778 10.735 -3.838 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.292 12.119 -2.855 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.262 13.961 -3.481 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.702 13.951 -2.652 1.00 0.00 H new ATOM 1517 N GLU A 99 9.963 12.050 -9.210 1.00 0.00 N ATOM 1518 CA GLU A 99 10.576 12.680 -10.368 1.00 0.00 C ATOM 1519 C GLU A 99 12.099 12.549 -10.298 1.00 0.00 C ATOM 1520 O GLU A 99 12.690 11.751 -11.024 1.00 0.00 O ATOM 1521 CB GLU A 99 10.156 14.146 -10.481 1.00 0.00 C ATOM 1522 CG GLU A 99 8.645 14.270 -10.688 1.00 0.00 C ATOM 1523 CD GLU A 99 8.313 14.546 -12.156 1.00 0.00 C ATOM 1524 OE1 GLU A 99 8.650 13.674 -12.987 1.00 0.00 O ATOM 1525 OE2 GLU A 99 7.731 15.621 -12.414 1.00 0.00 O ATOM 0 H GLU A 99 10.440 12.226 -8.326 1.00 0.00 H new ATOM 0 HA GLU A 99 10.227 12.167 -11.264 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.448 14.682 -9.578 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.680 14.615 -11.314 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.154 13.351 -10.367 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.254 15.075 -10.066 1.00 0.00 H new ATOM 1532 N THR A 100 12.690 13.345 -9.420 1.00 0.00 N ATOM 1533 CA THR A 100 14.132 13.328 -9.246 1.00 0.00 C ATOM 1534 C THR A 100 14.558 12.099 -8.441 1.00 0.00 C ATOM 1535 O THR A 100 13.807 11.131 -8.334 1.00 0.00 O ATOM 1536 CB THR A 100 14.546 14.651 -8.600 1.00 0.00 C ATOM 1537 OG1 THR A 100 13.911 14.629 -7.325 1.00 0.00 O ATOM 1538 CG2 THR A 100 13.930 15.864 -9.302 1.00 0.00 C ATOM 0 H THR A 100 12.196 14.006 -8.821 1.00 0.00 H new ATOM 0 HA THR A 100 14.645 13.243 -10.204 1.00 0.00 H new ATOM 0 HB THR A 100 15.633 14.737 -8.614 1.00 0.00 H new ATOM 0 HG1 THR A 100 14.128 15.451 -6.837 1.00 0.00 H new ATOM 0 HG21 THR A 100 14.256 16.777 -8.804 1.00 0.00 H new ATOM 0 HG22 THR A 100 14.252 15.884 -10.343 1.00 0.00 H new ATOM 0 HG23 THR A 100 12.843 15.796 -9.259 1.00 0.00 H new ATOM 1546 N LEU A 101 15.763 12.178 -7.893 1.00 0.00 N ATOM 1547 CA LEU A 101 16.298 11.084 -7.101 1.00 0.00 C ATOM 1548 C LEU A 101 15.426 10.886 -5.859 1.00 0.00 C ATOM 1549 O LEU A 101 14.765 11.819 -5.405 1.00 0.00 O ATOM 1550 CB LEU A 101 17.775 11.326 -6.783 1.00 0.00 C ATOM 1551 CG LEU A 101 18.719 11.380 -7.985 1.00 0.00 C ATOM 1552 CD1 LEU A 101 19.831 12.408 -7.763 1.00 0.00 C ATOM 1553 CD2 LEU A 101 19.277 9.993 -8.307 1.00 0.00 C ATOM 0 H LEU A 101 16.383 12.983 -7.982 1.00 0.00 H new ATOM 0 HA LEU A 101 16.266 10.152 -7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 101 17.860 12.266 -6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 101 18.116 10.537 -6.113 1.00 0.00 H new ATOM 0 HG LEU A 101 18.147 11.706 -8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 101 20.488 12.426 -8.632 1.00 0.00 H new ATOM 0 HD12 LEU A 101 19.391 13.395 -7.620 1.00 0.00 H new ATOM 0 HD13 LEU A 101 20.407 12.136 -6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 101 19.945 10.060 -9.166 1.00 0.00 H new ATOM 0 HD22 LEU A 101 19.829 9.614 -7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 101 18.455 9.315 -8.539 1.00 0.00 H new ATOM 1565 N PRO A 102 15.454 9.633 -5.331 1.00 0.00 N ATOM 1566 CA PRO A 102 14.674 9.301 -4.151 1.00 0.00 C ATOM 1567 C PRO A 102 15.314 9.884 -2.889 1.00 0.00 C ATOM 1568 O PRO A 102 16.480 10.275 -2.904 1.00 0.00 O ATOM 1569 CB PRO A 102 14.610 7.782 -4.137 1.00 0.00 C ATOM 1570 CG PRO A 102 15.738 7.309 -5.039 1.00 0.00 C ATOM 1571 CD PRO A 102 16.225 8.504 -5.842 1.00 0.00 C ATOM 0 HA PRO A 102 13.672 9.729 -4.175 1.00 0.00 H new ATOM 0 HB2 PRO A 102 14.731 7.395 -3.125 1.00 0.00 H new ATOM 0 HB3 PRO A 102 13.645 7.428 -4.500 1.00 0.00 H new ATOM 0 HG2 PRO A 102 16.551 6.891 -4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 102 15.389 6.519 -5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 102 17.295 8.662 -5.707 1.00 0.00 H new ATOM 0 HD3 PRO A 102 16.056 8.360 -6.909 1.00 0.00 H new ATOM 1579 N GLU A 103 14.522 9.924 -1.827 1.00 0.00 N ATOM 1580 CA GLU A 103 14.996 10.453 -0.560 1.00 0.00 C ATOM 1581 C GLU A 103 16.239 9.690 -0.098 1.00 0.00 C ATOM 1582 O GLU A 103 16.470 8.558 -0.522 1.00 0.00 O ATOM 1583 CB GLU A 103 13.896 10.402 0.502 1.00 0.00 C ATOM 1584 CG GLU A 103 12.795 11.421 0.199 1.00 0.00 C ATOM 1585 CD GLU A 103 12.983 12.693 1.028 1.00 0.00 C ATOM 1586 OE1 GLU A 103 12.715 12.622 2.247 1.00 0.00 O ATOM 1587 OE2 GLU A 103 13.390 13.709 0.424 1.00 0.00 O ATOM 0 H GLU A 103 13.555 9.599 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 103 15.268 11.499 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.469 9.400 0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.324 10.604 1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.806 11.669 -0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.820 10.983 0.414 1.00 0.00 H new ATOM 1594 N PRO A 104 17.028 10.357 0.787 1.00 0.00 N ATOM 1595 CA PRO A 104 18.241 9.753 1.311 1.00 0.00 C ATOM 1596 C PRO A 104 17.915 8.683 2.355 1.00 0.00 C ATOM 1597 O PRO A 104 18.667 7.724 2.521 1.00 0.00 O ATOM 1598 CB PRO A 104 19.043 10.913 1.879 1.00 0.00 C ATOM 1599 CG PRO A 104 18.053 12.050 2.072 1.00 0.00 C ATOM 1600 CD PRO A 104 16.785 11.698 1.311 1.00 0.00 C ATOM 0 HA PRO A 104 18.813 9.226 0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 104 19.511 10.638 2.824 1.00 0.00 H new ATOM 0 HB3 PRO A 104 19.844 11.204 1.199 1.00 0.00 H new ATOM 0 HG2 PRO A 104 17.836 12.192 3.131 1.00 0.00 H new ATOM 0 HG3 PRO A 104 18.471 12.987 1.704 1.00 0.00 H new ATOM 0 HD2 PRO A 104 15.913 11.716 1.965 1.00 0.00 H new ATOM 0 HD3 PRO A 104 16.595 12.409 0.507 1.00 0.00 H new ATOM 1608 N ASN A 105 16.793 8.884 3.031 1.00 0.00 N ATOM 1609 CA ASN A 105 16.359 7.948 4.054 1.00 0.00 C ATOM 1610 C ASN A 105 15.940 6.634 3.392 1.00 0.00 C ATOM 1611 O ASN A 105 14.879 6.557 2.774 1.00 0.00 O ATOM 1612 CB ASN A 105 15.155 8.494 4.824 1.00 0.00 C ATOM 1613 CG ASN A 105 15.408 8.462 6.333 1.00 0.00 C ATOM 1614 OD1 ASN A 105 16.003 7.541 6.869 1.00 0.00 O ATOM 1615 ND2 ASN A 105 14.926 9.516 6.985 1.00 0.00 N ATOM 0 H ASN A 105 16.172 9.681 2.890 1.00 0.00 H new ATOM 0 HA ASN A 105 17.189 7.793 4.744 1.00 0.00 H new ATOM 0 HB2 ASN A 105 14.950 9.517 4.508 1.00 0.00 H new ATOM 0 HB3 ASN A 105 14.270 7.904 4.588 1.00 0.00 H new ATOM 0 HD21 ASN A 105 15.045 9.589 7.995 1.00 0.00 H new ATOM 0 HD22 ASN A 105 14.438 10.252 6.475 1.00 0.00 H new ATOM 1622 N SER A 106 16.795 5.633 3.544 1.00 0.00 N ATOM 1623 CA SER A 106 16.526 4.326 2.968 1.00 0.00 C ATOM 1624 C SER A 106 17.653 3.355 3.327 1.00 0.00 C ATOM 1625 O SER A 106 18.735 3.413 2.745 1.00 0.00 O ATOM 1626 CB SER A 106 16.366 4.415 1.450 1.00 0.00 C ATOM 1627 OG SER A 106 15.606 3.328 0.928 1.00 0.00 O ATOM 0 H SER A 106 17.674 5.701 4.057 1.00 0.00 H new ATOM 0 HA SER A 106 15.589 3.955 3.383 1.00 0.00 H new ATOM 0 HB2 SER A 106 15.879 5.355 1.191 1.00 0.00 H new ATOM 0 HB3 SER A 106 17.350 4.427 0.982 1.00 0.00 H new ATOM 0 HG SER A 106 15.525 3.422 -0.044 1.00 0.00 H new ATOM 1633 N GLN A 107 17.361 2.486 4.283 1.00 0.00 N ATOM 1634 CA GLN A 107 18.336 1.504 4.726 1.00 0.00 C ATOM 1635 C GLN A 107 17.637 0.350 5.448 1.00 0.00 C ATOM 1636 O GLN A 107 16.515 0.502 5.927 1.00 0.00 O ATOM 1637 CB GLN A 107 19.395 2.149 5.622 1.00 0.00 C ATOM 1638 CG GLN A 107 18.780 2.639 6.934 1.00 0.00 C ATOM 1639 CD GLN A 107 19.313 4.025 7.306 1.00 0.00 C ATOM 1640 OE1 GLN A 107 18.856 5.046 6.818 1.00 0.00 O ATOM 1641 NE2 GLN A 107 20.302 4.003 8.194 1.00 0.00 N ATOM 0 H GLN A 107 16.462 2.441 4.764 1.00 0.00 H new ATOM 0 HA GLN A 107 18.844 1.104 3.849 1.00 0.00 H new ATOM 0 HB2 GLN A 107 20.185 1.428 5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 107 19.858 2.986 5.099 1.00 0.00 H new ATOM 0 HG2 GLN A 107 17.695 2.676 6.839 1.00 0.00 H new ATOM 0 HG3 GLN A 107 19.006 1.932 7.732 1.00 0.00 H new ATOM 0 HE21 GLN A 107 20.637 3.113 8.562 1.00 0.00 H new ATOM 0 HE22 GLN A 107 20.726 4.876 8.507 1.00 0.00 H new ATOM 1650 N GLY A 108 18.330 -0.778 5.502 1.00 0.00 N ATOM 1651 CA GLY A 108 17.790 -1.957 6.157 1.00 0.00 C ATOM 1652 C GLY A 108 18.762 -3.134 6.055 1.00 0.00 C ATOM 1653 O GLY A 108 18.626 -3.982 5.174 1.00 0.00 O ATOM 0 H GLY A 108 19.261 -0.900 5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 108 17.590 -1.736 7.205 1.00 0.00 H new ATOM 0 HA3 GLY A 108 16.837 -2.227 5.701 1.00 0.00 H new ATOM 1657 N GLN A 109 19.721 -3.149 6.969 1.00 0.00 N ATOM 1658 CA GLN A 109 20.716 -4.208 6.994 1.00 0.00 C ATOM 1659 C GLN A 109 21.146 -4.499 8.433 1.00 0.00 C ATOM 1660 O GLN A 109 20.969 -3.663 9.318 1.00 0.00 O ATOM 1661 CB GLN A 109 21.921 -3.848 6.123 1.00 0.00 C ATOM 1662 CG GLN A 109 22.468 -5.084 5.406 1.00 0.00 C ATOM 1663 CD GLN A 109 23.804 -5.522 6.009 1.00 0.00 C ATOM 1664 OE1 GLN A 109 24.544 -4.737 6.579 1.00 0.00 O ATOM 1665 NE2 GLN A 109 24.071 -6.815 5.852 1.00 0.00 N ATOM 0 H GLN A 109 19.830 -2.444 7.698 1.00 0.00 H new ATOM 0 HA GLN A 109 20.268 -5.111 6.581 1.00 0.00 H new ATOM 0 HB2 GLN A 109 21.632 -3.096 5.389 1.00 0.00 H new ATOM 0 HB3 GLN A 109 22.702 -3.406 6.742 1.00 0.00 H new ATOM 0 HG2 GLN A 109 21.748 -5.899 5.478 1.00 0.00 H new ATOM 0 HG3 GLN A 109 22.598 -4.866 4.346 1.00 0.00 H new ATOM 0 HE21 GLN A 109 23.408 -7.417 5.364 1.00 0.00 H new ATOM 0 HE22 GLN A 109 24.939 -7.205 6.219 1.00 0.00 H new ATOM 1674 N ARG A 110 21.702 -5.686 8.622 1.00 0.00 N ATOM 1675 CA ARG A 110 22.159 -6.098 9.938 1.00 0.00 C ATOM 1676 C ARG A 110 22.896 -7.436 9.850 1.00 0.00 C ATOM 1677 O ARG A 110 22.769 -8.155 8.860 1.00 0.00 O ATOM 1678 CB ARG A 110 20.986 -6.233 10.911 1.00 0.00 C ATOM 1679 CG ARG A 110 19.875 -7.099 10.313 1.00 0.00 C ATOM 1680 CD ARG A 110 19.454 -8.200 11.289 1.00 0.00 C ATOM 1681 NE ARG A 110 20.238 -9.429 11.034 1.00 0.00 N ATOM 1682 CZ ARG A 110 20.050 -10.587 11.680 1.00 0.00 C ATOM 1683 NH1 ARG A 110 19.103 -10.682 12.624 1.00 0.00 N ATOM 1684 NH2 ARG A 110 20.809 -11.651 11.383 1.00 0.00 N ATOM 0 H ARG A 110 21.847 -6.376 7.885 1.00 0.00 H new ATOM 0 HA ARG A 110 22.837 -5.330 10.309 1.00 0.00 H new ATOM 0 HB2 ARG A 110 21.333 -6.674 11.845 1.00 0.00 H new ATOM 0 HB3 ARG A 110 20.593 -5.245 11.151 1.00 0.00 H new ATOM 0 HG2 ARG A 110 19.015 -6.476 10.069 1.00 0.00 H new ATOM 0 HG3 ARG A 110 20.219 -7.546 9.381 1.00 0.00 H new ATOM 0 HD2 ARG A 110 19.609 -7.866 12.315 1.00 0.00 H new ATOM 0 HD3 ARG A 110 18.390 -8.408 11.178 1.00 0.00 H new ATOM 0 HE ARG A 110 20.967 -9.392 10.322 1.00 0.00 H new ATOM 0 HH11 ARG A 110 18.525 -9.872 12.850 1.00 0.00 H new ATOM 0 HH12 ARG A 110 18.960 -11.564 13.116 1.00 0.00 H new ATOM 0 HH21 ARG A 110 21.530 -11.579 10.665 1.00 0.00 H new ATOM 0 HH22 ARG A 110 20.666 -12.533 11.875 1.00 0.00 H new ATOM 1698 N SER A 111 23.651 -7.729 10.898 1.00 0.00 N ATOM 1699 CA SER A 111 24.409 -8.968 10.952 1.00 0.00 C ATOM 1700 C SER A 111 23.769 -9.930 11.954 1.00 0.00 C ATOM 1701 O SER A 111 23.359 -11.031 11.589 1.00 0.00 O ATOM 1702 CB SER A 111 25.869 -8.705 11.326 1.00 0.00 C ATOM 1703 OG SER A 111 26.627 -9.909 11.398 1.00 0.00 O ATOM 0 H SER A 111 23.754 -7.130 11.717 1.00 0.00 H new ATOM 0 HA SER A 111 24.393 -9.422 9.961 1.00 0.00 H new ATOM 0 HB2 SER A 111 26.317 -8.038 10.590 1.00 0.00 H new ATOM 0 HB3 SER A 111 25.910 -8.193 12.287 1.00 0.00 H new ATOM 0 HG SER A 111 27.554 -9.698 11.638 1.00 0.00 H new ATOM 1709 N GLY A 112 23.703 -9.480 13.199 1.00 0.00 N ATOM 1710 CA GLY A 112 23.119 -10.287 14.257 1.00 0.00 C ATOM 1711 C GLY A 112 24.207 -10.893 15.147 1.00 0.00 C ATOM 1712 O GLY A 112 24.790 -11.921 14.807 1.00 0.00 O ATOM 0 H GLY A 112 24.044 -8.567 13.498 1.00 0.00 H new ATOM 0 HA2 GLY A 112 22.450 -9.673 14.861 1.00 0.00 H new ATOM 0 HA3 GLY A 112 22.515 -11.083 13.821 1.00 0.00 H new ATOM 1716 N PRO A 113 24.452 -10.213 16.298 1.00 0.00 N ATOM 1717 CA PRO A 113 25.458 -10.674 17.240 1.00 0.00 C ATOM 1718 C PRO A 113 24.961 -11.890 18.023 1.00 0.00 C ATOM 1719 O PRO A 113 23.792 -12.261 17.924 1.00 0.00 O ATOM 1720 CB PRO A 113 25.747 -9.474 18.126 1.00 0.00 C ATOM 1721 CG PRO A 113 24.565 -8.533 17.952 1.00 0.00 C ATOM 1722 CD PRO A 113 23.780 -8.992 16.734 1.00 0.00 C ATOM 0 HA PRO A 113 26.368 -11.017 16.748 1.00 0.00 H new ATOM 0 HB2 PRO A 113 25.856 -9.775 19.168 1.00 0.00 H new ATOM 0 HB3 PRO A 113 26.679 -8.989 17.835 1.00 0.00 H new ATOM 0 HG2 PRO A 113 23.933 -8.545 18.840 1.00 0.00 H new ATOM 0 HG3 PRO A 113 24.910 -7.507 17.820 1.00 0.00 H new ATOM 0 HD2 PRO A 113 22.736 -9.182 16.984 1.00 0.00 H new ATOM 0 HD3 PRO A 113 23.787 -8.235 15.950 1.00 0.00 H new ATOM 1730 N SER A 114 25.872 -12.478 18.784 1.00 0.00 N ATOM 1731 CA SER A 114 25.541 -13.645 19.584 1.00 0.00 C ATOM 1732 C SER A 114 25.614 -13.297 21.072 1.00 0.00 C ATOM 1733 O SER A 114 26.178 -12.269 21.446 1.00 0.00 O ATOM 1734 CB SER A 114 26.474 -14.814 19.265 1.00 0.00 C ATOM 1735 OG SER A 114 26.137 -15.983 20.007 1.00 0.00 O ATOM 0 H SER A 114 26.840 -12.168 18.864 1.00 0.00 H new ATOM 0 HA SER A 114 24.524 -13.951 19.339 1.00 0.00 H new ATOM 0 HB2 SER A 114 26.427 -15.035 18.199 1.00 0.00 H new ATOM 0 HB3 SER A 114 27.502 -14.528 19.486 1.00 0.00 H new ATOM 0 HG SER A 114 26.754 -16.708 19.774 1.00 0.00 H new ATOM 1741 N SER A 115 25.037 -14.173 21.881 1.00 0.00 N ATOM 1742 CA SER A 115 25.031 -13.972 23.320 1.00 0.00 C ATOM 1743 C SER A 115 25.998 -14.950 23.990 1.00 0.00 C ATOM 1744 O SER A 115 25.942 -16.153 23.741 1.00 0.00 O ATOM 1745 CB SER A 115 23.623 -14.142 23.894 1.00 0.00 C ATOM 1746 OG SER A 115 22.676 -13.297 23.245 1.00 0.00 O ATOM 0 H SER A 115 24.570 -15.024 21.567 1.00 0.00 H new ATOM 0 HA SER A 115 25.357 -12.952 23.523 1.00 0.00 H new ATOM 0 HB2 SER A 115 23.312 -15.182 23.790 1.00 0.00 H new ATOM 0 HB3 SER A 115 23.637 -13.919 24.961 1.00 0.00 H new ATOM 0 HG SER A 115 21.789 -13.436 23.639 1.00 0.00 H new ATOM 1752 N GLY A 116 26.864 -14.396 24.826 1.00 0.00 N ATOM 1753 CA GLY A 116 27.843 -15.204 25.533 1.00 0.00 C ATOM 1754 C GLY A 116 28.769 -14.328 26.380 1.00 0.00 C ATOM 1755 O GLY A 116 28.420 -13.199 26.722 1.00 0.00 O ATOM 0 H GLY A 116 26.908 -13.397 25.030 1.00 0.00 H new ATOM 0 HA2 GLY A 116 27.332 -15.924 26.173 1.00 0.00 H new ATOM 0 HA3 GLY A 116 28.433 -15.776 24.817 1.00 0.00 H new TER 1759 GLY A 116