USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 803 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 TYR OH : rot 180:sc= 0.0767 USER MOD Set 1.2: A 56 SER OG : rot -155:sc= 0.0795 USER MOD Set 2.1: A 41 TYR OH : rot -123:sc= 0.191 USER MOD Set 2.2: A 63 ASN : amide:sc= -0.27 X(o=-0.079,f=-0.21) USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.642 USER MOD Single : A 10 THR OG1 : rot 145:sc= 1.31 USER MOD Single : A 14 MET CE :methyl -179:sc= -0.0646 (180deg=-0.0685) USER MOD Single : A 15 HIS : no HD1:sc=-0.00116 X(o=-0.0012,f=-0.25) USER MOD Single : A 16 GLN :FLIP amide:sc= -1.12 F(o=-3.8!,f=-1.1) USER MOD Single : A 20 THR OG1 : rot 160:sc= -2.03! USER MOD Single : A 21 MET CE :methyl 175:sc= -1.53 (180deg=-1.83) USER MOD Single : A 23 SER OG : rot 11:sc= -0.35 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.682 X(o=-0.68,f=-0.78!) USER MOD Single : A 35 ASN : amide:sc= 0.539 K(o=0.54,f=-0.3) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0453 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 51 ASN : amide:sc= -1.38 K(o=-1.4,f=-2.8!) USER MOD Single : A 54 ASN : amide:sc= -0.0812 X(o=-0.081,f=-0.49) USER MOD Single : A 55 SER OG : rot -111:sc= 1.18 USER MOD Single : A 57 MET CE :methyl -172:sc= 0 (180deg=-0.108) USER MOD Single : A 60 SER OG : rot -146:sc= -1.76! USER MOD Single : A 61 GLN : amide:sc= -0.0556 K(o=-0.056,f=-1.7!) USER MOD Single : A 62 THR OG1 : rot 170:sc= -0.383! USER MOD Single : A 64 THR OG1 : rot 56:sc= 0.0579 USER MOD Single : A 74 MET CE :methyl -142:sc= -0.627 (180deg=-2.18!) USER MOD Single : A 76 TYR OH : rot -85:sc= 2.19 USER MOD Single : A 79 GLN : amide:sc= -3.79! C(o=-3.8!,f=-3.6!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -82:sc= 0.15 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl -164:sc= -0.932 (180deg=-1.55) USER MOD Single : A 96 CYS SG : rot 31:sc= 0.123 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot -167:sc= 1.37 USER MOD Single : A 101 THR OG1 : rot 18:sc= 1.08 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 8:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.939 -25.223 5.854 1.00 0.00 N ATOM 2 CA GLY A 1 -6.783 -24.051 5.716 1.00 0.00 C ATOM 3 C GLY A 1 -6.579 -23.343 4.392 1.00 0.00 C ATOM 4 O GLY A 1 -6.098 -22.211 4.353 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.116 -25.672 6.775 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.155 -25.898 5.093 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.940 -24.941 5.792 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.828 -24.347 5.809 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.574 -23.358 6.531 1.00 0.00 H new ATOM 8 N SER A 2 -6.945 -24.011 3.302 1.00 0.00 N ATOM 9 CA SER A 2 -6.795 -23.440 1.969 1.00 0.00 C ATOM 10 C SER A 2 -7.985 -22.551 1.621 1.00 0.00 C ATOM 11 O SER A 2 -9.112 -22.809 2.046 1.00 0.00 O ATOM 12 CB SER A 2 -6.653 -24.552 0.928 1.00 0.00 C ATOM 13 OG SER A 2 -5.874 -24.122 -0.174 1.00 0.00 O ATOM 0 H SER A 2 -7.347 -24.948 3.316 1.00 0.00 H new ATOM 0 HA SER A 2 -5.893 -22.828 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.190 -25.426 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.640 -24.859 0.582 1.00 0.00 H new ATOM 0 HG SER A 2 -5.797 -24.851 -0.824 1.00 0.00 H new ATOM 19 N SER A 3 -7.727 -21.503 0.845 1.00 0.00 N ATOM 20 CA SER A 3 -8.775 -20.573 0.443 1.00 0.00 C ATOM 21 C SER A 3 -8.243 -19.559 -0.566 1.00 0.00 C ATOM 22 O SER A 3 -7.391 -18.733 -0.242 1.00 0.00 O ATOM 23 CB SER A 3 -9.338 -19.846 1.665 1.00 0.00 C ATOM 24 OG SER A 3 -10.145 -18.747 1.278 1.00 0.00 O ATOM 0 H SER A 3 -6.801 -21.277 0.482 1.00 0.00 H new ATOM 0 HA SER A 3 -9.573 -21.146 -0.029 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.927 -20.540 2.265 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.519 -19.496 2.293 1.00 0.00 H new ATOM 0 HG SER A 3 -10.494 -18.300 2.077 1.00 0.00 H new ATOM 30 N GLY A 4 -8.754 -19.628 -1.791 1.00 0.00 N ATOM 31 CA GLY A 4 -8.320 -18.712 -2.829 1.00 0.00 C ATOM 32 C GLY A 4 -7.187 -19.275 -3.664 1.00 0.00 C ATOM 33 O GLY A 4 -6.316 -19.975 -3.148 1.00 0.00 O ATOM 0 H GLY A 4 -9.461 -20.302 -2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.164 -18.478 -3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.000 -17.776 -2.372 1.00 0.00 H new ATOM 37 N SER A 5 -7.200 -18.972 -4.958 1.00 0.00 N ATOM 38 CA SER A 5 -6.169 -19.459 -5.867 1.00 0.00 C ATOM 39 C SER A 5 -4.777 -19.145 -5.327 1.00 0.00 C ATOM 40 O SER A 5 -4.544 -18.075 -4.764 1.00 0.00 O ATOM 41 CB SER A 5 -6.344 -18.833 -7.252 1.00 0.00 C ATOM 42 OG SER A 5 -5.665 -19.587 -8.241 1.00 0.00 O ATOM 0 H SER A 5 -7.913 -18.392 -5.400 1.00 0.00 H new ATOM 0 HA SER A 5 -6.273 -20.541 -5.949 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.404 -18.776 -7.498 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.964 -17.812 -7.244 1.00 0.00 H new ATOM 0 HG SER A 5 -5.793 -19.168 -9.117 1.00 0.00 H new ATOM 48 N SER A 6 -3.855 -20.086 -5.503 1.00 0.00 N ATOM 49 CA SER A 6 -2.486 -19.913 -5.030 1.00 0.00 C ATOM 50 C SER A 6 -1.841 -18.687 -5.670 1.00 0.00 C ATOM 51 O SER A 6 -1.485 -18.702 -6.848 1.00 0.00 O ATOM 52 CB SER A 6 -1.655 -21.160 -5.340 1.00 0.00 C ATOM 53 OG SER A 6 -1.982 -22.221 -4.460 1.00 0.00 O ATOM 0 H SER A 6 -4.031 -20.976 -5.970 1.00 0.00 H new ATOM 0 HA SER A 6 -2.517 -19.765 -3.951 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.830 -21.471 -6.370 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.594 -20.925 -5.253 1.00 0.00 H new ATOM 0 HG SER A 6 -1.439 -23.007 -4.679 1.00 0.00 H new ATOM 59 N GLY A 7 -1.695 -17.624 -4.884 1.00 0.00 N ATOM 60 CA GLY A 7 -1.094 -16.404 -5.390 1.00 0.00 C ATOM 61 C GLY A 7 0.329 -16.214 -4.903 1.00 0.00 C ATOM 62 O GLY A 7 0.869 -17.034 -4.161 1.00 0.00 O ATOM 0 H GLY A 7 -1.982 -17.586 -3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.102 -16.423 -6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.697 -15.550 -5.082 1.00 0.00 H new ATOM 66 N PRO A 8 0.961 -15.109 -5.327 1.00 0.00 N ATOM 67 CA PRO A 8 2.338 -14.788 -4.943 1.00 0.00 C ATOM 68 C PRO A 8 2.456 -14.409 -3.471 1.00 0.00 C ATOM 69 O PRO A 8 1.551 -13.798 -2.903 1.00 0.00 O ATOM 70 CB PRO A 8 2.685 -13.592 -5.833 1.00 0.00 C ATOM 71 CG PRO A 8 1.373 -12.962 -6.150 1.00 0.00 C ATOM 72 CD PRO A 8 0.378 -14.088 -6.214 1.00 0.00 C ATOM 0 HA PRO A 8 3.006 -15.640 -5.071 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.345 -12.894 -5.318 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.201 -13.909 -6.739 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.093 -12.237 -5.386 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.417 -12.425 -7.098 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.608 -13.773 -5.871 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.258 -14.461 -7.231 1.00 0.00 H new ATOM 80 N SER A 9 3.578 -14.775 -2.858 1.00 0.00 N ATOM 81 CA SER A 9 3.813 -14.476 -1.451 1.00 0.00 C ATOM 82 C SER A 9 3.486 -13.018 -1.144 1.00 0.00 C ATOM 83 O SER A 9 3.293 -12.207 -2.051 1.00 0.00 O ATOM 84 CB SER A 9 5.267 -14.774 -1.080 1.00 0.00 C ATOM 85 OG SER A 9 5.661 -14.041 0.067 1.00 0.00 O ATOM 0 H SER A 9 4.338 -15.279 -3.315 1.00 0.00 H new ATOM 0 HA SER A 9 3.157 -15.111 -0.855 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.386 -15.841 -0.892 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.918 -14.523 -1.917 1.00 0.00 H new ATOM 0 HG SER A 9 6.593 -14.250 0.285 1.00 0.00 H new ATOM 91 N THR A 10 3.426 -12.689 0.143 1.00 0.00 N ATOM 92 CA THR A 10 3.123 -11.330 0.572 1.00 0.00 C ATOM 93 C THR A 10 4.002 -10.914 1.746 1.00 0.00 C ATOM 94 O THR A 10 4.394 -11.745 2.566 1.00 0.00 O ATOM 95 CB THR A 10 1.644 -11.186 0.977 1.00 0.00 C ATOM 96 OG1 THR A 10 1.222 -9.827 0.820 1.00 0.00 O ATOM 97 CG2 THR A 10 1.432 -11.624 2.419 1.00 0.00 C ATOM 0 H THR A 10 3.584 -13.347 0.907 1.00 0.00 H new ATOM 0 HA THR A 10 3.325 -10.678 -0.278 1.00 0.00 H new ATOM 0 HB THR A 10 1.049 -11.828 0.327 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.290 -9.807 0.519 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.380 -11.513 2.682 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.726 -12.668 2.529 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.038 -11.005 3.080 1.00 0.00 H new ATOM 105 N VAL A 11 4.308 -9.623 1.822 1.00 0.00 N ATOM 106 CA VAL A 11 5.140 -9.096 2.897 1.00 0.00 C ATOM 107 C VAL A 11 4.496 -9.335 4.258 1.00 0.00 C ATOM 108 O VAL A 11 3.300 -9.117 4.453 1.00 0.00 O ATOM 109 CB VAL A 11 5.397 -7.588 2.721 1.00 0.00 C ATOM 110 CG1 VAL A 11 6.259 -7.057 3.856 1.00 0.00 C ATOM 111 CG2 VAL A 11 6.048 -7.313 1.373 1.00 0.00 C ATOM 0 H VAL A 11 3.992 -8.922 1.151 1.00 0.00 H new ATOM 0 HA VAL A 11 6.091 -9.627 2.850 1.00 0.00 H new ATOM 0 HB VAL A 11 4.440 -7.068 2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.430 -5.990 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.750 -7.220 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.215 -7.580 3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.223 -6.243 1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.998 -7.844 1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.390 -7.656 0.574 1.00 0.00 H new ATOM 121 N PRO A 12 5.305 -9.794 5.224 1.00 0.00 N ATOM 122 CA PRO A 12 4.836 -10.072 6.584 1.00 0.00 C ATOM 123 C PRO A 12 4.486 -8.799 7.348 1.00 0.00 C ATOM 124 O PRO A 12 3.475 -8.743 8.049 1.00 0.00 O ATOM 125 CB PRO A 12 6.030 -10.774 7.235 1.00 0.00 C ATOM 126 CG PRO A 12 7.215 -10.291 6.473 1.00 0.00 C ATOM 127 CD PRO A 12 6.741 -10.077 5.062 1.00 0.00 C ATOM 0 HA PRO A 12 3.922 -10.666 6.586 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.109 -10.521 8.292 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.934 -11.858 7.173 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.602 -9.366 6.899 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.024 -11.020 6.506 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.263 -9.248 4.584 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.910 -10.958 4.443 1.00 0.00 H new ATOM 135 N ILE A 13 5.326 -7.780 7.207 1.00 0.00 N ATOM 136 CA ILE A 13 5.103 -6.508 7.882 1.00 0.00 C ATOM 137 C ILE A 13 5.556 -5.338 7.015 1.00 0.00 C ATOM 138 O ILE A 13 6.363 -5.506 6.101 1.00 0.00 O ATOM 139 CB ILE A 13 5.844 -6.449 9.231 1.00 0.00 C ATOM 140 CG1 ILE A 13 5.444 -5.190 10.003 1.00 0.00 C ATOM 141 CG2 ILE A 13 7.349 -6.486 9.011 1.00 0.00 C ATOM 142 CD1 ILE A 13 5.541 -5.346 11.505 1.00 0.00 C ATOM 0 H ILE A 13 6.167 -7.810 6.631 1.00 0.00 H new ATOM 0 HA ILE A 13 4.031 -6.430 8.062 1.00 0.00 H new ATOM 0 HB ILE A 13 5.561 -7.320 9.822 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.082 -4.363 9.690 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.421 -4.921 9.739 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.859 -6.444 9.974 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.619 -7.409 8.498 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.649 -5.632 8.404 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.243 -4.415 11.987 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.882 -6.151 11.831 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.568 -5.584 11.780 1.00 0.00 H new ATOM 154 N MET A 14 5.032 -4.153 7.309 1.00 0.00 N ATOM 155 CA MET A 14 5.385 -2.954 6.557 1.00 0.00 C ATOM 156 C MET A 14 6.174 -1.980 7.427 1.00 0.00 C ATOM 157 O MET A 14 5.938 -1.875 8.631 1.00 0.00 O ATOM 158 CB MET A 14 4.125 -2.272 6.022 1.00 0.00 C ATOM 159 CG MET A 14 3.567 -2.923 4.768 1.00 0.00 C ATOM 160 SD MET A 14 2.215 -1.980 4.037 1.00 0.00 S ATOM 161 CE MET A 14 3.119 -0.866 2.965 1.00 0.00 C ATOM 0 H MET A 14 4.362 -3.997 8.062 1.00 0.00 H new ATOM 0 HA MET A 14 6.012 -3.253 5.717 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.359 -2.282 6.798 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.350 -1.227 5.809 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.366 -3.033 4.035 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.216 -3.926 5.010 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.419 -0.204 2.455 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.813 -0.272 3.560 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.676 -1.443 2.227 1.00 0.00 H new ATOM 171 N HIS A 15 7.113 -1.270 6.810 1.00 0.00 N ATOM 172 CA HIS A 15 7.937 -0.304 7.528 1.00 0.00 C ATOM 173 C HIS A 15 7.886 1.063 6.852 1.00 0.00 C ATOM 174 O HIS A 15 8.034 1.169 5.635 1.00 0.00 O ATOM 175 CB HIS A 15 9.384 -0.793 7.605 1.00 0.00 C ATOM 176 CG HIS A 15 9.529 -2.130 8.265 1.00 0.00 C ATOM 177 ND1 HIS A 15 9.140 -2.375 9.565 1.00 0.00 N ATOM 178 CD2 HIS A 15 10.024 -3.300 7.795 1.00 0.00 C ATOM 179 CE1 HIS A 15 9.390 -3.636 9.867 1.00 0.00 C ATOM 180 NE2 HIS A 15 9.926 -4.220 8.810 1.00 0.00 N ATOM 0 H HIS A 15 7.322 -1.345 5.815 1.00 0.00 H new ATOM 0 HA HIS A 15 7.540 -0.206 8.538 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.795 -0.848 6.597 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.978 -0.061 8.152 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.422 -3.476 6.806 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.190 -4.110 10.817 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.219 -5.195 8.757 1.00 0.00 H new ATOM 189 N GLN A 16 7.674 2.105 7.650 1.00 0.00 N ATOM 190 CA GLN A 16 7.601 3.464 7.128 1.00 0.00 C ATOM 191 C GLN A 16 8.960 4.152 7.210 1.00 0.00 C ATOM 192 O GLN A 16 9.681 4.009 8.198 1.00 0.00 O ATOM 193 CB GLN A 16 6.559 4.275 7.900 1.00 0.00 C ATOM 194 CG GLN A 16 6.849 5.766 7.931 1.00 0.00 C ATOM 195 CD GLN A 16 5.592 6.602 8.071 1.00 0.00 C ATOM 196 OE1 GLN A 16 5.131 7.170 6.962 1.00 0.00 O flip ATOM 197 NE2 GLN A 16 5.040 6.737 9.164 1.00 0.00 N flip ATOM 0 H GLN A 16 7.550 2.034 8.660 1.00 0.00 H new ATOM 0 HA GLN A 16 7.304 3.408 6.081 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.579 4.113 7.451 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.506 3.902 8.923 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.520 5.985 8.761 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.370 6.050 7.017 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.428 6.283 9.991 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.195 7.303 9.242 1.00 0.00 H new ATOM 206 N VAL A 17 9.304 4.899 6.166 1.00 0.00 N ATOM 207 CA VAL A 17 10.576 5.610 6.120 1.00 0.00 C ATOM 208 C VAL A 17 10.390 7.090 6.432 1.00 0.00 C ATOM 209 O VAL A 17 11.175 7.682 7.173 1.00 0.00 O ATOM 210 CB VAL A 17 11.249 5.468 4.742 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.580 6.203 4.719 1.00 0.00 C ATOM 212 CG2 VAL A 17 11.435 4.000 4.388 1.00 0.00 C ATOM 0 H VAL A 17 8.719 5.028 5.340 1.00 0.00 H new ATOM 0 HA VAL A 17 11.217 5.160 6.878 1.00 0.00 H new ATOM 0 HB VAL A 17 10.599 5.919 3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 17 13.040 6.091 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.415 7.261 4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.240 5.785 5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.912 3.919 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 17 12.063 3.521 5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.463 3.507 4.360 1.00 0.00 H new ATOM 222 N SER A 18 9.345 7.683 5.863 1.00 0.00 N ATOM 223 CA SER A 18 9.057 9.096 6.078 1.00 0.00 C ATOM 224 C SER A 18 7.602 9.411 5.743 1.00 0.00 C ATOM 225 O SER A 18 6.898 8.591 5.155 1.00 0.00 O ATOM 226 CB SER A 18 9.987 9.963 5.228 1.00 0.00 C ATOM 227 OG SER A 18 10.238 9.360 3.970 1.00 0.00 O ATOM 0 H SER A 18 8.684 7.207 5.250 1.00 0.00 H new ATOM 0 HA SER A 18 9.226 9.320 7.131 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.539 10.946 5.081 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.928 10.117 5.755 1.00 0.00 H new ATOM 0 HG SER A 18 10.834 9.934 3.445 1.00 0.00 H new ATOM 233 N ALA A 19 7.159 10.605 6.122 1.00 0.00 N ATOM 234 CA ALA A 19 5.790 11.030 5.861 1.00 0.00 C ATOM 235 C ALA A 19 5.687 12.551 5.814 1.00 0.00 C ATOM 236 O ALA A 19 6.436 13.256 6.490 1.00 0.00 O ATOM 237 CB ALA A 19 4.852 10.468 6.919 1.00 0.00 C ATOM 0 H ALA A 19 7.729 11.295 6.611 1.00 0.00 H new ATOM 0 HA ALA A 19 5.495 10.642 4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.833 10.794 6.711 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.896 9.379 6.902 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.155 10.828 7.902 1.00 0.00 H new ATOM 243 N THR A 20 4.754 13.052 5.009 1.00 0.00 N ATOM 244 CA THR A 20 4.555 14.489 4.872 1.00 0.00 C ATOM 245 C THR A 20 3.195 14.910 5.419 1.00 0.00 C ATOM 246 O THR A 20 2.463 14.096 5.981 1.00 0.00 O ATOM 247 CB THR A 20 4.664 14.933 3.401 1.00 0.00 C ATOM 248 OG1 THR A 20 3.376 14.881 2.777 1.00 0.00 O ATOM 249 CG2 THR A 20 5.639 14.048 2.639 1.00 0.00 C ATOM 0 H THR A 20 4.125 12.483 4.442 1.00 0.00 H new ATOM 0 HA THR A 20 5.342 14.974 5.450 1.00 0.00 H new ATOM 0 HB THR A 20 5.036 15.957 3.380 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.377 15.447 1.977 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.699 14.381 1.603 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.625 14.113 3.099 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.292 13.015 2.669 1.00 0.00 H new ATOM 257 N MET A 21 2.864 16.185 5.250 1.00 0.00 N ATOM 258 CA MET A 21 1.590 16.713 5.725 1.00 0.00 C ATOM 259 C MET A 21 0.462 16.362 4.760 1.00 0.00 C ATOM 260 O MET A 21 -0.687 16.192 5.169 1.00 0.00 O ATOM 261 CB MET A 21 1.675 18.231 5.898 1.00 0.00 C ATOM 262 CG MET A 21 2.217 18.659 7.252 1.00 0.00 C ATOM 263 SD MET A 21 1.869 20.388 7.625 1.00 0.00 S ATOM 264 CE MET A 21 0.098 20.328 7.888 1.00 0.00 C ATOM 0 H MET A 21 3.460 16.872 4.788 1.00 0.00 H new ATOM 0 HA MET A 21 1.373 16.256 6.691 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.311 18.643 5.115 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.682 18.660 5.761 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.782 18.029 8.028 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.295 18.496 7.276 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.255 21.306 8.215 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.399 20.056 6.957 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.131 19.585 8.652 1.00 0.00 H new ATOM 274 N ARG A 22 0.797 16.256 3.479 1.00 0.00 N ATOM 275 CA ARG A 22 -0.188 15.926 2.456 1.00 0.00 C ATOM 276 C ARG A 22 0.186 14.634 1.736 1.00 0.00 C ATOM 277 O ARG A 22 -0.367 14.316 0.683 1.00 0.00 O ATOM 278 CB ARG A 22 -0.308 17.069 1.446 1.00 0.00 C ATOM 279 CG ARG A 22 -0.556 18.425 2.087 1.00 0.00 C ATOM 280 CD ARG A 22 -0.175 19.561 1.151 1.00 0.00 C ATOM 281 NE ARG A 22 1.245 19.889 1.240 1.00 0.00 N ATOM 282 CZ ARG A 22 1.778 20.588 2.236 1.00 0.00 C ATOM 283 NH1 ARG A 22 1.012 21.030 3.224 1.00 0.00 N ATOM 284 NH2 ARG A 22 3.079 20.846 2.246 1.00 0.00 N ATOM 0 H ARG A 22 1.743 16.394 3.124 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.150 15.781 2.948 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.607 17.118 0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.122 16.849 0.756 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.608 18.513 2.359 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.019 18.503 3.009 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.420 19.284 0.126 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.767 20.444 1.392 1.00 0.00 H new ATOM 0 HE ARG A 22 1.862 19.563 0.496 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.011 20.833 3.220 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.424 21.566 3.988 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.672 20.508 1.488 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.487 21.383 3.012 1.00 0.00 H new ATOM 298 N SER A 23 1.128 13.894 2.311 1.00 0.00 N ATOM 299 CA SER A 23 1.580 12.639 1.723 1.00 0.00 C ATOM 300 C SER A 23 2.234 11.749 2.776 1.00 0.00 C ATOM 301 O SER A 23 2.440 12.167 3.915 1.00 0.00 O ATOM 302 CB SER A 23 2.566 12.910 0.585 1.00 0.00 C ATOM 303 OG SER A 23 1.903 13.447 -0.547 1.00 0.00 O ATOM 0 H SER A 23 1.593 14.142 3.184 1.00 0.00 H new ATOM 0 HA SER A 23 0.709 12.120 1.324 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.335 13.604 0.923 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.071 11.984 0.309 1.00 0.00 H new ATOM 0 HG SER A 23 0.988 13.698 -0.302 1.00 0.00 H new ATOM 309 N ILE A 24 2.556 10.520 2.385 1.00 0.00 N ATOM 310 CA ILE A 24 3.187 9.572 3.294 1.00 0.00 C ATOM 311 C ILE A 24 4.101 8.612 2.540 1.00 0.00 C ATOM 312 O ILE A 24 3.797 8.197 1.421 1.00 0.00 O ATOM 313 CB ILE A 24 2.138 8.757 4.075 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.075 9.686 4.665 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.808 7.944 5.173 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.112 8.952 5.249 1.00 0.00 C ATOM 0 H ILE A 24 2.390 10.158 1.446 1.00 0.00 H new ATOM 0 HA ILE A 24 3.779 10.157 3.998 1.00 0.00 H new ATOM 0 HB ILE A 24 1.649 8.067 3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.531 10.299 5.442 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.725 10.365 3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.054 7.374 5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.531 7.259 4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.320 8.616 5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.825 9.673 5.649 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.593 8.360 4.470 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.225 8.293 6.049 1.00 0.00 H new ATOM 328 N THR A 25 5.222 8.260 3.161 1.00 0.00 N ATOM 329 CA THR A 25 6.181 7.349 2.550 1.00 0.00 C ATOM 330 C THR A 25 6.258 6.035 3.318 1.00 0.00 C ATOM 331 O THR A 25 6.295 6.025 4.549 1.00 0.00 O ATOM 332 CB THR A 25 7.587 7.974 2.483 1.00 0.00 C ATOM 333 OG1 THR A 25 7.487 9.376 2.209 1.00 0.00 O ATOM 334 CG2 THR A 25 8.428 7.301 1.409 1.00 0.00 C ATOM 0 H THR A 25 5.488 8.593 4.088 1.00 0.00 H new ATOM 0 HA THR A 25 5.829 7.155 1.537 1.00 0.00 H new ATOM 0 HB THR A 25 8.073 7.826 3.448 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.385 9.766 2.170 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.417 7.759 1.381 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.527 6.239 1.636 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.944 7.421 0.440 1.00 0.00 H new ATOM 342 N LEU A 26 6.282 4.927 2.586 1.00 0.00 N ATOM 343 CA LEU A 26 6.356 3.605 3.199 1.00 0.00 C ATOM 344 C LEU A 26 7.386 2.732 2.491 1.00 0.00 C ATOM 345 O LEU A 26 7.857 3.068 1.404 1.00 0.00 O ATOM 346 CB LEU A 26 4.985 2.927 3.162 1.00 0.00 C ATOM 347 CG LEU A 26 3.787 3.816 3.501 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.492 3.165 3.040 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.741 4.100 4.995 1.00 0.00 C ATOM 0 H LEU A 26 6.251 4.917 1.567 1.00 0.00 H new ATOM 0 HA LEU A 26 6.666 3.730 4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.834 2.512 2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.998 2.088 3.858 1.00 0.00 H new ATOM 0 HG LEU A 26 3.901 4.763 2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.651 3.812 3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.525 3.013 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.371 2.203 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.883 4.734 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.651 3.161 5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.656 4.609 5.297 1.00 0.00 H new ATOM 361 N SER A 27 7.732 1.610 3.113 1.00 0.00 N ATOM 362 CA SER A 27 8.708 0.689 2.542 1.00 0.00 C ATOM 363 C SER A 27 8.518 -0.718 3.101 1.00 0.00 C ATOM 364 O SER A 27 8.415 -0.908 4.313 1.00 0.00 O ATOM 365 CB SER A 27 10.129 1.177 2.830 1.00 0.00 C ATOM 366 OG SER A 27 11.056 0.617 1.916 1.00 0.00 O ATOM 0 H SER A 27 7.351 1.316 4.013 1.00 0.00 H new ATOM 0 HA SER A 27 8.554 0.657 1.463 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.163 2.265 2.767 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.410 0.908 3.848 1.00 0.00 H new ATOM 0 HG SER A 27 11.956 0.946 2.120 1.00 0.00 H new ATOM 372 N TRP A 28 8.474 -1.701 2.208 1.00 0.00 N ATOM 373 CA TRP A 28 8.297 -3.091 2.611 1.00 0.00 C ATOM 374 C TRP A 28 9.367 -3.980 1.986 1.00 0.00 C ATOM 375 O TRP A 28 9.795 -3.771 0.850 1.00 0.00 O ATOM 376 CB TRP A 28 6.906 -3.587 2.210 1.00 0.00 C ATOM 377 CG TRP A 28 6.608 -3.403 0.752 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.692 -4.351 -0.227 1.00 0.00 C ATOM 379 CD2 TRP A 28 6.181 -2.197 0.110 1.00 0.00 C ATOM 380 NE1 TRP A 28 6.342 -3.807 -1.440 1.00 0.00 N ATOM 381 CE2 TRP A 28 6.024 -2.486 -1.259 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.914 -0.900 0.559 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.613 -1.527 -2.181 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.507 0.051 -0.357 1.00 0.00 C ATOM 385 CH2 TRP A 28 5.359 -0.266 -1.713 1.00 0.00 C ATOM 0 H TRP A 28 8.558 -1.561 1.201 1.00 0.00 H new ATOM 0 HA TRP A 28 8.395 -3.144 3.695 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.819 -4.644 2.461 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.156 -3.057 2.797 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.990 -5.377 -0.071 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.322 -4.305 -2.330 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.024 -0.646 1.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.499 -1.769 -3.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.299 1.056 -0.021 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.038 0.500 -2.403 1.00 0.00 H new ATOM 396 N PRO A 29 9.810 -4.995 2.741 1.00 0.00 N ATOM 397 CA PRO A 29 10.835 -5.936 2.280 1.00 0.00 C ATOM 398 C PRO A 29 10.325 -6.853 1.174 1.00 0.00 C ATOM 399 O PRO A 29 9.160 -7.250 1.172 1.00 0.00 O ATOM 400 CB PRO A 29 11.164 -6.746 3.537 1.00 0.00 C ATOM 401 CG PRO A 29 9.936 -6.659 4.376 1.00 0.00 C ATOM 402 CD PRO A 29 9.344 -5.304 4.103 1.00 0.00 C ATOM 0 HA PRO A 29 11.695 -5.423 1.849 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.402 -7.781 3.290 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.029 -6.335 4.058 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.232 -7.451 4.121 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.176 -6.774 5.433 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.256 -5.322 4.161 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.689 -4.562 4.823 1.00 0.00 H new ATOM 410 N GLN A 30 11.205 -7.186 0.234 1.00 0.00 N ATOM 411 CA GLN A 30 10.842 -8.056 -0.878 1.00 0.00 C ATOM 412 C GLN A 30 10.699 -9.502 -0.413 1.00 0.00 C ATOM 413 O GLN A 30 11.540 -10.032 0.312 1.00 0.00 O ATOM 414 CB GLN A 30 11.891 -7.965 -1.987 1.00 0.00 C ATOM 415 CG GLN A 30 11.544 -8.783 -3.221 1.00 0.00 C ATOM 416 CD GLN A 30 12.729 -8.974 -4.147 1.00 0.00 C ATOM 417 OE1 GLN A 30 13.694 -9.657 -3.805 1.00 0.00 O ATOM 418 NE2 GLN A 30 12.662 -8.369 -5.327 1.00 0.00 N ATOM 0 H GLN A 30 12.174 -6.866 0.221 1.00 0.00 H new ATOM 0 HA GLN A 30 9.881 -7.723 -1.269 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.013 -6.921 -2.276 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.851 -8.302 -1.596 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.169 -9.758 -2.912 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.739 -8.289 -3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.842 -7.812 -5.569 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.430 -8.461 -5.992 1.00 0.00 H new ATOM 427 N PRO A 31 9.609 -10.156 -0.841 1.00 0.00 N ATOM 428 CA PRO A 31 9.330 -11.549 -0.481 1.00 0.00 C ATOM 429 C PRO A 31 10.296 -12.524 -1.146 1.00 0.00 C ATOM 430 O PRO A 31 11.093 -12.136 -1.999 1.00 0.00 O ATOM 431 CB PRO A 31 7.906 -11.771 -0.997 1.00 0.00 C ATOM 432 CG PRO A 31 7.746 -10.784 -2.102 1.00 0.00 C ATOM 433 CD PRO A 31 8.564 -9.586 -1.708 1.00 0.00 C ATOM 0 HA PRO A 31 9.442 -11.724 0.589 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.769 -12.792 -1.355 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.170 -11.607 -0.210 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.092 -11.199 -3.049 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.698 -10.514 -2.236 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.992 -9.088 -2.578 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.963 -8.846 -1.180 1.00 0.00 H new ATOM 441 N GLU A 32 10.218 -13.791 -0.751 1.00 0.00 N ATOM 442 CA GLU A 32 11.086 -14.820 -1.310 1.00 0.00 C ATOM 443 C GLU A 32 10.265 -15.952 -1.921 1.00 0.00 C ATOM 444 O GLU A 32 10.796 -16.799 -2.638 1.00 0.00 O ATOM 445 CB GLU A 32 12.016 -15.376 -0.229 1.00 0.00 C ATOM 446 CG GLU A 32 13.246 -14.518 0.017 1.00 0.00 C ATOM 447 CD GLU A 32 14.343 -14.767 -1.000 1.00 0.00 C ATOM 448 OE1 GLU A 32 14.494 -15.927 -1.438 1.00 0.00 O ATOM 449 OE2 GLU A 32 15.051 -13.802 -1.358 1.00 0.00 O ATOM 0 H GLU A 32 9.563 -14.129 -0.046 1.00 0.00 H new ATOM 0 HA GLU A 32 11.686 -14.364 -2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.459 -15.473 0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.334 -16.378 -0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.962 -13.466 -0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.630 -14.718 1.017 1.00 0.00 H new ATOM 456 N GLN A 33 8.968 -15.957 -1.631 1.00 0.00 N ATOM 457 CA GLN A 33 8.074 -16.985 -2.152 1.00 0.00 C ATOM 458 C GLN A 33 6.988 -16.369 -3.028 1.00 0.00 C ATOM 459 O GLN A 33 5.804 -16.683 -2.905 1.00 0.00 O ATOM 460 CB GLN A 33 7.436 -17.765 -1.001 1.00 0.00 C ATOM 461 CG GLN A 33 8.407 -18.681 -0.275 1.00 0.00 C ATOM 462 CD GLN A 33 9.092 -19.662 -1.206 1.00 0.00 C ATOM 463 OE1 GLN A 33 10.019 -19.303 -1.932 1.00 0.00 O ATOM 464 NE2 GLN A 33 8.637 -20.910 -1.190 1.00 0.00 N ATOM 0 H GLN A 33 8.513 -15.262 -1.039 1.00 0.00 H new ATOM 0 HA GLN A 33 8.663 -17.669 -2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.012 -17.060 -0.286 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.610 -18.360 -1.390 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.162 -18.077 0.229 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.871 -19.233 0.498 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.866 -21.164 -0.572 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.058 -21.614 -1.796 1.00 0.00 H new ATOM 473 N PRO A 34 7.398 -15.469 -3.934 1.00 0.00 N ATOM 474 CA PRO A 34 6.476 -14.790 -4.849 1.00 0.00 C ATOM 475 C PRO A 34 5.903 -15.734 -5.901 1.00 0.00 C ATOM 476 O PRO A 34 5.110 -15.326 -6.748 1.00 0.00 O ATOM 477 CB PRO A 34 7.352 -13.723 -5.509 1.00 0.00 C ATOM 478 CG PRO A 34 8.738 -14.262 -5.418 1.00 0.00 C ATOM 479 CD PRO A 34 8.794 -15.046 -4.136 1.00 0.00 C ATOM 0 HA PRO A 34 5.609 -14.386 -4.327 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.059 -13.556 -6.546 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.265 -12.766 -4.995 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.967 -14.897 -6.274 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.471 -13.455 -5.414 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.465 -15.901 -4.217 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.153 -14.436 -3.307 1.00 0.00 H new ATOM 487 N ASN A 35 6.310 -16.998 -5.839 1.00 0.00 N ATOM 488 CA ASN A 35 5.836 -18.000 -6.787 1.00 0.00 C ATOM 489 C ASN A 35 5.949 -17.490 -8.220 1.00 0.00 C ATOM 490 O ASN A 35 5.161 -17.864 -9.088 1.00 0.00 O ATOM 491 CB ASN A 35 4.385 -18.376 -6.481 1.00 0.00 C ATOM 492 CG ASN A 35 4.261 -19.243 -5.243 1.00 0.00 C ATOM 493 OD1 ASN A 35 3.917 -20.422 -5.328 1.00 0.00 O ATOM 494 ND2 ASN A 35 4.541 -18.660 -4.083 1.00 0.00 N ATOM 0 H ASN A 35 6.966 -17.352 -5.143 1.00 0.00 H new ATOM 0 HA ASN A 35 6.463 -18.886 -6.685 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.798 -17.468 -6.345 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.962 -18.904 -7.335 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.475 -19.192 -3.216 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.822 -17.680 -4.060 1.00 0.00 H new ATOM 501 N GLY A 36 6.937 -16.633 -8.461 1.00 0.00 N ATOM 502 CA GLY A 36 7.136 -16.086 -9.791 1.00 0.00 C ATOM 503 C GLY A 36 7.553 -14.628 -9.761 1.00 0.00 C ATOM 504 O GLY A 36 7.218 -13.899 -8.827 1.00 0.00 O ATOM 0 H GLY A 36 7.603 -16.308 -7.760 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.898 -16.668 -10.310 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.214 -16.185 -10.363 1.00 0.00 H new ATOM 508 N ILE A 37 8.286 -14.203 -10.785 1.00 0.00 N ATOM 509 CA ILE A 37 8.748 -12.824 -10.871 1.00 0.00 C ATOM 510 C ILE A 37 7.644 -11.848 -10.479 1.00 0.00 C ATOM 511 O ILE A 37 6.468 -12.082 -10.757 1.00 0.00 O ATOM 512 CB ILE A 37 9.239 -12.483 -12.291 1.00 0.00 C ATOM 513 CG1 ILE A 37 10.593 -13.142 -12.558 1.00 0.00 C ATOM 514 CG2 ILE A 37 9.333 -10.975 -12.471 1.00 0.00 C ATOM 515 CD1 ILE A 37 11.619 -12.873 -11.480 1.00 0.00 C ATOM 0 H ILE A 37 8.572 -14.794 -11.566 1.00 0.00 H new ATOM 0 HA ILE A 37 9.580 -12.726 -10.174 1.00 0.00 H new ATOM 0 HB ILE A 37 8.519 -12.871 -13.011 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.452 -14.219 -12.653 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.979 -12.786 -13.513 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.681 -10.750 -13.479 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.350 -10.528 -12.318 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.035 -10.565 -11.745 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.554 -13.371 -11.736 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.790 -11.799 -11.400 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.254 -13.255 -10.527 1.00 0.00 H new ATOM 527 N ILE A 38 8.032 -10.753 -9.833 1.00 0.00 N ATOM 528 CA ILE A 38 7.075 -9.740 -9.405 1.00 0.00 C ATOM 529 C ILE A 38 7.056 -8.560 -10.371 1.00 0.00 C ATOM 530 O ILE A 38 8.056 -7.860 -10.534 1.00 0.00 O ATOM 531 CB ILE A 38 7.396 -9.225 -7.989 1.00 0.00 C ATOM 532 CG1 ILE A 38 7.184 -10.337 -6.959 1.00 0.00 C ATOM 533 CG2 ILE A 38 6.534 -8.017 -7.657 1.00 0.00 C ATOM 534 CD1 ILE A 38 7.606 -9.950 -5.559 1.00 0.00 C ATOM 0 H ILE A 38 9.002 -10.545 -9.595 1.00 0.00 H new ATOM 0 HA ILE A 38 6.094 -10.215 -9.396 1.00 0.00 H new ATOM 0 HB ILE A 38 8.442 -8.920 -7.957 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.130 -10.616 -6.948 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.744 -11.220 -7.268 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.772 -7.665 -6.653 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.729 -7.222 -8.377 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.482 -8.297 -7.703 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.428 -10.785 -4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.667 -9.699 -5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.028 -9.086 -5.230 1.00 0.00 H new ATOM 546 N LEU A 39 5.910 -8.343 -11.008 1.00 0.00 N ATOM 547 CA LEU A 39 5.759 -7.245 -11.956 1.00 0.00 C ATOM 548 C LEU A 39 5.696 -5.904 -11.232 1.00 0.00 C ATOM 549 O LEU A 39 6.513 -5.017 -11.478 1.00 0.00 O ATOM 550 CB LEU A 39 4.496 -7.443 -12.797 1.00 0.00 C ATOM 551 CG LEU A 39 4.378 -8.782 -13.526 1.00 0.00 C ATOM 552 CD1 LEU A 39 2.917 -9.143 -13.746 1.00 0.00 C ATOM 553 CD2 LEU A 39 5.123 -8.736 -14.851 1.00 0.00 C ATOM 0 H LEU A 39 5.073 -8.913 -10.885 1.00 0.00 H new ATOM 0 HA LEU A 39 6.629 -7.242 -12.612 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.629 -7.329 -12.146 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.447 -6.644 -13.537 1.00 0.00 H new ATOM 0 HG LEU A 39 4.832 -9.553 -12.904 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.853 -10.099 -14.266 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.412 -9.219 -12.783 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.438 -8.370 -14.347 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.028 -9.698 -15.355 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.699 -7.953 -15.480 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.177 -8.525 -14.669 1.00 0.00 H new ATOM 565 N ASP A 40 4.724 -5.765 -10.338 1.00 0.00 N ATOM 566 CA ASP A 40 4.557 -4.534 -9.575 1.00 0.00 C ATOM 567 C ASP A 40 3.780 -4.793 -8.289 1.00 0.00 C ATOM 568 O ASP A 40 3.210 -5.868 -8.101 1.00 0.00 O ATOM 569 CB ASP A 40 3.836 -3.480 -10.418 1.00 0.00 C ATOM 570 CG ASP A 40 4.474 -3.293 -11.780 1.00 0.00 C ATOM 571 OD1 ASP A 40 5.534 -2.635 -11.854 1.00 0.00 O ATOM 572 OD2 ASP A 40 3.915 -3.805 -12.773 1.00 0.00 O ATOM 0 H ASP A 40 4.039 -6.490 -10.124 1.00 0.00 H new ATOM 0 HA ASP A 40 5.547 -4.162 -9.311 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.793 -3.772 -10.545 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.838 -2.529 -9.885 1.00 0.00 H new ATOM 577 N TYR A 41 3.761 -3.801 -7.405 1.00 0.00 N ATOM 578 CA TYR A 41 3.056 -3.923 -6.134 1.00 0.00 C ATOM 579 C TYR A 41 1.866 -2.970 -6.078 1.00 0.00 C ATOM 580 O TYR A 41 1.996 -1.780 -6.363 1.00 0.00 O ATOM 581 CB TYR A 41 4.008 -3.638 -4.971 1.00 0.00 C ATOM 582 CG TYR A 41 5.188 -4.580 -4.909 1.00 0.00 C ATOM 583 CD1 TYR A 41 5.111 -5.777 -4.209 1.00 0.00 C ATOM 584 CD2 TYR A 41 6.381 -4.273 -5.553 1.00 0.00 C ATOM 585 CE1 TYR A 41 6.188 -6.641 -4.150 1.00 0.00 C ATOM 586 CE2 TYR A 41 7.463 -5.131 -5.500 1.00 0.00 C ATOM 587 CZ TYR A 41 7.361 -6.313 -4.797 1.00 0.00 C ATOM 588 OH TYR A 41 8.436 -7.171 -4.742 1.00 0.00 O ATOM 0 H TYR A 41 4.226 -2.904 -7.545 1.00 0.00 H new ATOM 0 HA TYR A 41 2.684 -4.944 -6.049 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.375 -2.615 -5.055 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.453 -3.702 -4.035 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.194 -6.037 -3.702 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.464 -3.348 -6.104 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.112 -7.568 -3.600 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.383 -4.877 -6.006 1.00 0.00 H new ATOM 0 HH TYR A 41 9.214 -6.698 -4.380 1.00 0.00 H new ATOM 598 N GLU A 42 0.706 -3.504 -5.708 1.00 0.00 N ATOM 599 CA GLU A 42 -0.508 -2.702 -5.614 1.00 0.00 C ATOM 600 C GLU A 42 -0.698 -2.166 -4.197 1.00 0.00 C ATOM 601 O GLU A 42 -0.617 -2.916 -3.223 1.00 0.00 O ATOM 602 CB GLU A 42 -1.726 -3.530 -6.025 1.00 0.00 C ATOM 603 CG GLU A 42 -2.906 -2.691 -6.486 1.00 0.00 C ATOM 604 CD GLU A 42 -2.717 -2.137 -7.884 1.00 0.00 C ATOM 605 OE1 GLU A 42 -1.584 -1.727 -8.213 1.00 0.00 O ATOM 606 OE2 GLU A 42 -3.703 -2.113 -8.651 1.00 0.00 O ATOM 0 H GLU A 42 0.582 -4.488 -5.469 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.407 -1.856 -6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.439 -4.209 -6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.037 -4.146 -5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.811 -3.298 -6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.055 -1.866 -5.789 1.00 0.00 H new ATOM 613 N ILE A 43 -0.950 -0.866 -4.091 1.00 0.00 N ATOM 614 CA ILE A 43 -1.152 -0.230 -2.795 1.00 0.00 C ATOM 615 C ILE A 43 -2.563 0.332 -2.673 1.00 0.00 C ATOM 616 O ILE A 43 -2.984 1.162 -3.480 1.00 0.00 O ATOM 617 CB ILE A 43 -0.137 0.904 -2.560 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.256 0.326 -2.299 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.580 1.779 -1.397 1.00 0.00 C ATOM 620 CD1 ILE A 43 2.056 0.085 -3.560 1.00 0.00 C ATOM 0 H ILE A 43 -1.019 -0.232 -4.887 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.004 -1.001 -2.039 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.091 1.522 -3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.808 1.008 -1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.155 -0.614 -1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.148 2.576 -1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.554 2.215 -1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.652 1.174 -0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.032 -0.325 -3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.525 -0.621 -4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.189 1.027 -4.092 1.00 0.00 H new ATOM 632 N ARG A 44 -3.290 -0.123 -1.658 1.00 0.00 N ATOM 633 CA ARG A 44 -4.655 0.336 -1.429 1.00 0.00 C ATOM 634 C ARG A 44 -4.757 1.104 -0.114 1.00 0.00 C ATOM 635 O ARG A 44 -4.405 0.588 0.947 1.00 0.00 O ATOM 636 CB ARG A 44 -5.619 -0.852 -1.415 1.00 0.00 C ATOM 637 CG ARG A 44 -7.013 -0.499 -0.921 1.00 0.00 C ATOM 638 CD ARG A 44 -7.904 -1.729 -0.844 1.00 0.00 C ATOM 639 NE ARG A 44 -7.353 -2.750 0.042 1.00 0.00 N ATOM 640 CZ ARG A 44 -8.056 -3.778 0.505 1.00 0.00 C ATOM 641 NH1 ARG A 44 -9.330 -3.920 0.168 1.00 0.00 N ATOM 642 NH2 ARG A 44 -7.484 -4.666 1.308 1.00 0.00 N ATOM 0 H ARG A 44 -2.957 -0.809 -0.981 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.928 1.007 -2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.693 -1.261 -2.423 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.206 -1.637 -0.781 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.945 -0.035 0.063 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.462 0.236 -1.589 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.893 -1.438 -0.491 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.032 -2.147 -1.843 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.375 -2.670 0.321 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.773 -3.239 -0.448 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.867 -4.710 0.525 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.504 -4.560 1.570 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.024 -5.455 1.663 1.00 0.00 H new ATOM 656 N TYR A 45 -5.241 2.338 -0.192 1.00 0.00 N ATOM 657 CA TYR A 45 -5.388 3.178 0.991 1.00 0.00 C ATOM 658 C TYR A 45 -6.799 3.751 1.081 1.00 0.00 C ATOM 659 O TYR A 45 -7.396 4.123 0.071 1.00 0.00 O ATOM 660 CB TYR A 45 -4.365 4.315 0.964 1.00 0.00 C ATOM 661 CG TYR A 45 -4.497 5.221 -0.239 1.00 0.00 C ATOM 662 CD1 TYR A 45 -3.932 4.873 -1.460 1.00 0.00 C ATOM 663 CD2 TYR A 45 -5.186 6.424 -0.155 1.00 0.00 C ATOM 664 CE1 TYR A 45 -4.050 5.698 -2.562 1.00 0.00 C ATOM 665 CE2 TYR A 45 -5.310 7.254 -1.252 1.00 0.00 C ATOM 666 CZ TYR A 45 -4.740 6.887 -2.454 1.00 0.00 C ATOM 667 OH TYR A 45 -4.860 7.712 -3.548 1.00 0.00 O ATOM 0 H TYR A 45 -5.538 2.779 -1.062 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.211 2.558 1.870 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.473 4.911 1.870 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.361 3.890 0.980 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.392 3.942 -1.549 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.632 6.715 0.784 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.604 5.413 -3.503 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.850 8.185 -1.170 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.376 8.508 -3.302 1.00 0.00 H new ATOM 677 N TYR A 46 -7.325 3.818 2.299 1.00 0.00 N ATOM 678 CA TYR A 46 -8.667 4.343 2.523 1.00 0.00 C ATOM 679 C TYR A 46 -8.761 5.037 3.879 1.00 0.00 C ATOM 680 O TYR A 46 -8.153 4.599 4.855 1.00 0.00 O ATOM 681 CB TYR A 46 -9.699 3.217 2.441 1.00 0.00 C ATOM 682 CG TYR A 46 -9.589 2.213 3.567 1.00 0.00 C ATOM 683 CD1 TYR A 46 -10.130 2.480 4.818 1.00 0.00 C ATOM 684 CD2 TYR A 46 -8.946 0.996 3.377 1.00 0.00 C ATOM 685 CE1 TYR A 46 -10.031 1.566 5.849 1.00 0.00 C ATOM 686 CE2 TYR A 46 -8.845 0.075 4.402 1.00 0.00 C ATOM 687 CZ TYR A 46 -9.388 0.365 5.636 1.00 0.00 C ATOM 688 OH TYR A 46 -9.289 -0.549 6.660 1.00 0.00 O ATOM 0 H TYR A 46 -6.843 3.516 3.146 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.877 5.076 1.744 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.699 3.651 2.448 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.583 2.698 1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.637 3.418 4.988 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.518 0.766 2.412 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.455 1.791 6.817 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.343 -0.867 4.238 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.808 -1.343 6.345 1.00 0.00 H new ATOM 698 N GLU A 47 -9.529 6.121 3.930 1.00 0.00 N ATOM 699 CA GLU A 47 -9.702 6.875 5.166 1.00 0.00 C ATOM 700 C GLU A 47 -10.235 5.979 6.280 1.00 0.00 C ATOM 701 O GLU A 47 -11.202 5.241 6.090 1.00 0.00 O ATOM 702 CB GLU A 47 -10.656 8.051 4.942 1.00 0.00 C ATOM 703 CG GLU A 47 -9.975 9.290 4.386 1.00 0.00 C ATOM 704 CD GLU A 47 -10.956 10.269 3.770 1.00 0.00 C ATOM 705 OE1 GLU A 47 -11.929 9.811 3.134 1.00 0.00 O ATOM 706 OE2 GLU A 47 -10.752 11.491 3.924 1.00 0.00 O ATOM 0 H GLU A 47 -10.040 6.496 3.131 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.727 7.259 5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.445 7.742 4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.136 8.304 5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.425 9.787 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.245 8.992 3.634 1.00 0.00 H new ATOM 713 N LYS A 48 -9.597 6.049 7.443 1.00 0.00 N ATOM 714 CA LYS A 48 -10.004 5.246 8.590 1.00 0.00 C ATOM 715 C LYS A 48 -11.514 5.317 8.795 1.00 0.00 C ATOM 716 O LYS A 48 -12.147 4.327 9.158 1.00 0.00 O ATOM 717 CB LYS A 48 -9.284 5.722 9.854 1.00 0.00 C ATOM 718 CG LYS A 48 -9.479 4.803 11.047 1.00 0.00 C ATOM 719 CD LYS A 48 -8.478 5.102 12.150 1.00 0.00 C ATOM 720 CE LYS A 48 -9.031 4.736 13.519 1.00 0.00 C ATOM 721 NZ LYS A 48 -8.114 5.150 14.617 1.00 0.00 N ATOM 0 H LYS A 48 -8.795 6.655 7.616 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.730 4.210 8.392 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.218 5.810 9.644 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.641 6.719 10.112 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.492 4.916 11.433 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.373 3.766 10.730 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.558 4.547 11.968 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.220 6.161 12.132 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.002 5.212 13.658 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.194 3.659 13.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.527 4.883 15.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.196 4.676 14.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.978 6.181 14.586 1.00 0.00 H new ATOM 735 N GLU A 49 -12.084 6.495 8.558 1.00 0.00 N ATOM 736 CA GLU A 49 -13.520 6.693 8.716 1.00 0.00 C ATOM 737 C GLU A 49 -14.293 5.983 7.609 1.00 0.00 C ATOM 738 O GLU A 49 -15.412 5.513 7.820 1.00 0.00 O ATOM 739 CB GLU A 49 -13.855 8.186 8.709 1.00 0.00 C ATOM 740 CG GLU A 49 -13.614 8.870 10.045 1.00 0.00 C ATOM 741 CD GLU A 49 -14.202 10.267 10.100 1.00 0.00 C ATOM 742 OE1 GLU A 49 -15.400 10.394 10.428 1.00 0.00 O ATOM 743 OE2 GLU A 49 -13.463 11.232 9.814 1.00 0.00 O ATOM 0 H GLU A 49 -11.574 7.325 8.256 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.816 6.265 9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.257 8.681 7.944 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.900 8.314 8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.048 8.266 10.842 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.542 8.924 10.233 1.00 0.00 H new ATOM 750 N HIS A 50 -13.689 5.908 6.427 1.00 0.00 N ATOM 751 CA HIS A 50 -14.319 5.255 5.285 1.00 0.00 C ATOM 752 C HIS A 50 -14.046 3.754 5.299 1.00 0.00 C ATOM 753 O HIS A 50 -13.251 3.266 6.101 1.00 0.00 O ATOM 754 CB HIS A 50 -13.813 5.866 3.978 1.00 0.00 C ATOM 755 CG HIS A 50 -14.328 7.249 3.724 1.00 0.00 C ATOM 756 ND1 HIS A 50 -14.703 7.694 2.474 1.00 0.00 N ATOM 757 CD2 HIS A 50 -14.532 8.287 4.568 1.00 0.00 C ATOM 758 CE1 HIS A 50 -15.113 8.947 2.560 1.00 0.00 C ATOM 759 NE2 HIS A 50 -15.020 9.330 3.820 1.00 0.00 N ATOM 0 H HIS A 50 -12.764 6.292 6.235 1.00 0.00 H new ATOM 0 HA HIS A 50 -15.395 5.411 5.357 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.723 5.891 3.996 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -14.104 5.221 3.149 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.346 8.294 5.632 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.464 9.555 1.739 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.270 10.251 4.180 1.00 0.00 H new ATOM 768 N ASN A 51 -14.712 3.029 4.407 1.00 0.00 N ATOM 769 CA ASN A 51 -14.542 1.583 4.317 1.00 0.00 C ATOM 770 C ASN A 51 -13.751 1.204 3.069 1.00 0.00 C ATOM 771 O ASN A 51 -13.283 2.072 2.333 1.00 0.00 O ATOM 772 CB ASN A 51 -15.905 0.888 4.301 1.00 0.00 C ATOM 773 CG ASN A 51 -16.936 1.656 3.497 1.00 0.00 C ATOM 774 OD1 ASN A 51 -16.879 1.691 2.267 1.00 0.00 O ATOM 775 ND2 ASN A 51 -17.885 2.276 4.189 1.00 0.00 N ATOM 0 H ASN A 51 -15.374 3.418 3.736 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.984 1.253 5.193 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -15.795 -0.113 3.884 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -16.261 0.769 5.324 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -18.606 2.809 3.702 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -17.893 2.220 5.207 1.00 0.00 H new ATOM 782 N GLU A 52 -13.608 -0.097 2.837 1.00 0.00 N ATOM 783 CA GLU A 52 -12.874 -0.590 1.678 1.00 0.00 C ATOM 784 C GLU A 52 -13.543 -0.145 0.381 1.00 0.00 C ATOM 785 O GLU A 52 -12.876 0.295 -0.556 1.00 0.00 O ATOM 786 CB GLU A 52 -12.779 -2.117 1.718 1.00 0.00 C ATOM 787 CG GLU A 52 -11.880 -2.642 2.825 1.00 0.00 C ATOM 788 CD GLU A 52 -12.040 -4.133 3.049 1.00 0.00 C ATOM 789 OE1 GLU A 52 -12.261 -4.860 2.058 1.00 0.00 O ATOM 790 OE2 GLU A 52 -11.946 -4.572 4.214 1.00 0.00 O ATOM 0 H GLU A 52 -13.991 -0.828 3.436 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.869 -0.170 1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.779 -2.532 1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.406 -2.475 0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.841 -2.425 2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.104 -2.113 3.751 1.00 0.00 H new ATOM 797 N PHE A 53 -14.866 -0.262 0.334 1.00 0.00 N ATOM 798 CA PHE A 53 -15.626 0.126 -0.848 1.00 0.00 C ATOM 799 C PHE A 53 -15.099 1.435 -1.429 1.00 0.00 C ATOM 800 O PHE A 53 -14.699 1.494 -2.591 1.00 0.00 O ATOM 801 CB PHE A 53 -17.110 0.270 -0.502 1.00 0.00 C ATOM 802 CG PHE A 53 -17.988 0.476 -1.703 1.00 0.00 C ATOM 803 CD1 PHE A 53 -18.432 -0.605 -2.447 1.00 0.00 C ATOM 804 CD2 PHE A 53 -18.371 1.751 -2.087 1.00 0.00 C ATOM 805 CE1 PHE A 53 -19.240 -0.418 -3.552 1.00 0.00 C ATOM 806 CE2 PHE A 53 -19.179 1.944 -3.192 1.00 0.00 C ATOM 807 CZ PHE A 53 -19.615 0.858 -3.925 1.00 0.00 C ATOM 0 H PHE A 53 -15.434 -0.622 1.101 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.509 -0.657 -1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -17.439 -0.623 0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -17.236 1.112 0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -18.143 -1.605 -2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -18.034 2.604 -1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -19.578 -1.269 -4.124 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -19.469 2.943 -3.482 1.00 0.00 H new ATOM 0 HZ PHE A 53 -20.248 1.006 -4.788 1.00 0.00 H new ATOM 817 N ASN A 54 -15.102 2.482 -0.610 1.00 0.00 N ATOM 818 CA ASN A 54 -14.625 3.791 -1.042 1.00 0.00 C ATOM 819 C ASN A 54 -13.134 3.947 -0.759 1.00 0.00 C ATOM 820 O ASN A 54 -12.725 4.815 0.012 1.00 0.00 O ATOM 821 CB ASN A 54 -15.408 4.900 -0.336 1.00 0.00 C ATOM 822 CG ASN A 54 -16.640 5.322 -1.114 1.00 0.00 C ATOM 823 OD1 ASN A 54 -17.733 4.800 -0.896 1.00 0.00 O ATOM 824 ND2 ASN A 54 -16.467 6.271 -2.026 1.00 0.00 N ATOM 0 H ASN A 54 -15.429 2.450 0.356 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.783 3.871 -2.117 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.707 4.556 0.654 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.759 5.764 -0.191 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -17.259 6.596 -2.580 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.542 6.675 -2.172 1.00 0.00 H new ATOM 831 N SER A 55 -12.326 3.100 -1.389 1.00 0.00 N ATOM 832 CA SER A 55 -10.880 3.141 -1.203 1.00 0.00 C ATOM 833 C SER A 55 -10.173 3.469 -2.514 1.00 0.00 C ATOM 834 O SER A 55 -10.803 3.552 -3.568 1.00 0.00 O ATOM 835 CB SER A 55 -10.376 1.802 -0.660 1.00 0.00 C ATOM 836 OG SER A 55 -10.668 0.746 -1.557 1.00 0.00 O ATOM 0 H SER A 55 -12.648 2.377 -2.033 1.00 0.00 H new ATOM 0 HA SER A 55 -10.653 3.926 -0.482 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.300 1.855 -0.494 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.838 1.601 0.306 1.00 0.00 H new ATOM 0 HG SER A 55 -11.347 0.160 -1.162 1.00 0.00 H new ATOM 842 N SER A 56 -8.859 3.656 -2.440 1.00 0.00 N ATOM 843 CA SER A 56 -8.065 3.979 -3.619 1.00 0.00 C ATOM 844 C SER A 56 -6.976 2.934 -3.845 1.00 0.00 C ATOM 845 O SER A 56 -6.696 2.116 -2.970 1.00 0.00 O ATOM 846 CB SER A 56 -7.434 5.365 -3.471 1.00 0.00 C ATOM 847 OG SER A 56 -7.200 5.957 -4.737 1.00 0.00 O ATOM 0 H SER A 56 -8.322 3.589 -1.575 1.00 0.00 H new ATOM 0 HA SER A 56 -8.729 3.980 -4.484 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.090 6.006 -2.882 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.494 5.284 -2.925 1.00 0.00 H new ATOM 0 HG SER A 56 -6.476 6.613 -4.663 1.00 0.00 H new ATOM 853 N MET A 57 -6.367 2.968 -5.026 1.00 0.00 N ATOM 854 CA MET A 57 -5.309 2.025 -5.367 1.00 0.00 C ATOM 855 C MET A 57 -4.192 2.718 -6.142 1.00 0.00 C ATOM 856 O MET A 57 -4.447 3.604 -6.957 1.00 0.00 O ATOM 857 CB MET A 57 -5.875 0.867 -6.191 1.00 0.00 C ATOM 858 CG MET A 57 -6.787 -0.054 -5.398 1.00 0.00 C ATOM 859 SD MET A 57 -7.285 -1.513 -6.333 1.00 0.00 S ATOM 860 CE MET A 57 -6.631 -2.819 -5.296 1.00 0.00 C ATOM 0 H MET A 57 -6.588 3.638 -5.762 1.00 0.00 H new ATOM 0 HA MET A 57 -4.894 1.632 -4.439 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.429 1.271 -7.038 1.00 0.00 H new ATOM 0 HB3 MET A 57 -5.049 0.284 -6.599 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.277 -0.368 -4.487 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.676 0.497 -5.092 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.732 -3.776 -5.808 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.578 -2.627 -5.090 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.184 -2.850 -4.357 1.00 0.00 H new ATOM 870 N ALA A 58 -2.955 2.309 -5.881 1.00 0.00 N ATOM 871 CA ALA A 58 -1.801 2.889 -6.555 1.00 0.00 C ATOM 872 C ALA A 58 -0.827 1.806 -7.007 1.00 0.00 C ATOM 873 O ALA A 58 -0.772 0.724 -6.421 1.00 0.00 O ATOM 874 CB ALA A 58 -1.100 3.883 -5.641 1.00 0.00 C ATOM 0 H ALA A 58 -2.727 1.578 -5.207 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.156 3.415 -7.441 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.240 4.308 -6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.792 4.681 -5.372 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.765 3.373 -4.738 1.00 0.00 H new ATOM 880 N ARG A 59 -0.061 2.103 -8.051 1.00 0.00 N ATOM 881 CA ARG A 59 0.910 1.154 -8.582 1.00 0.00 C ATOM 882 C ARG A 59 2.335 1.606 -8.278 1.00 0.00 C ATOM 883 O ARG A 59 2.627 2.801 -8.259 1.00 0.00 O ATOM 884 CB ARG A 59 0.725 0.993 -10.092 1.00 0.00 C ATOM 885 CG ARG A 59 -0.233 -0.123 -10.474 1.00 0.00 C ATOM 886 CD ARG A 59 -0.403 -0.221 -11.981 1.00 0.00 C ATOM 887 NE ARG A 59 -1.459 0.661 -12.472 1.00 0.00 N ATOM 888 CZ ARG A 59 -1.261 1.933 -12.798 1.00 0.00 C ATOM 889 NH1 ARG A 59 -0.054 2.470 -12.687 1.00 0.00 N ATOM 890 NH2 ARG A 59 -2.272 2.672 -13.237 1.00 0.00 N ATOM 0 H ARG A 59 -0.094 2.994 -8.546 1.00 0.00 H new ATOM 0 HA ARG A 59 0.742 0.192 -8.098 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.359 1.932 -10.506 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.695 0.800 -10.550 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.139 -1.071 -10.087 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.203 0.053 -10.008 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.538 0.034 -12.469 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.635 -1.251 -12.253 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.400 0.279 -12.570 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.726 1.906 -12.350 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.094 3.447 -12.938 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.202 2.263 -13.324 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.119 3.649 -13.487 1.00 0.00 H new ATOM 904 N SER A 60 3.218 0.641 -8.041 1.00 0.00 N ATOM 905 CA SER A 60 4.612 0.940 -7.734 1.00 0.00 C ATOM 906 C SER A 60 5.542 -0.086 -8.375 1.00 0.00 C ATOM 907 O SER A 60 5.363 -1.292 -8.206 1.00 0.00 O ATOM 908 CB SER A 60 4.829 0.965 -6.220 1.00 0.00 C ATOM 909 OG SER A 60 5.980 1.719 -5.881 1.00 0.00 O ATOM 0 H SER A 60 2.993 -0.354 -8.056 1.00 0.00 H new ATOM 0 HA SER A 60 4.845 1.923 -8.144 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.954 1.393 -5.731 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.936 -0.054 -5.848 1.00 0.00 H new ATOM 0 HG SER A 60 6.410 1.323 -5.094 1.00 0.00 H new ATOM 915 N GLN A 61 6.534 0.403 -9.112 1.00 0.00 N ATOM 916 CA GLN A 61 7.492 -0.471 -9.780 1.00 0.00 C ATOM 917 C GLN A 61 8.643 -0.831 -8.846 1.00 0.00 C ATOM 918 O GLN A 61 9.721 -1.223 -9.294 1.00 0.00 O ATOM 919 CB GLN A 61 8.035 0.202 -11.042 1.00 0.00 C ATOM 920 CG GLN A 61 6.993 0.375 -12.135 1.00 0.00 C ATOM 921 CD GLN A 61 7.611 0.606 -13.499 1.00 0.00 C ATOM 922 OE1 GLN A 61 8.761 0.237 -13.743 1.00 0.00 O ATOM 923 NE2 GLN A 61 6.850 1.219 -14.399 1.00 0.00 N ATOM 0 H GLN A 61 6.696 1.399 -9.262 1.00 0.00 H new ATOM 0 HA GLN A 61 6.975 -1.389 -10.060 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.438 1.180 -10.778 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.863 -0.390 -11.432 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.361 -0.512 -12.172 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.347 1.217 -11.886 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.903 1.508 -14.154 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.213 1.401 -15.335 1.00 0.00 H new ATOM 932 N THR A 62 8.408 -0.695 -7.545 1.00 0.00 N ATOM 933 CA THR A 62 9.425 -1.004 -6.548 1.00 0.00 C ATOM 934 C THR A 62 8.791 -1.364 -5.209 1.00 0.00 C ATOM 935 O THR A 62 7.569 -1.358 -5.069 1.00 0.00 O ATOM 936 CB THR A 62 10.391 0.178 -6.345 1.00 0.00 C ATOM 937 OG1 THR A 62 11.279 -0.096 -5.256 1.00 0.00 O ATOM 938 CG2 THR A 62 9.623 1.462 -6.069 1.00 0.00 C ATOM 0 H THR A 62 7.521 -0.373 -7.157 1.00 0.00 H new ATOM 0 HA THR A 62 9.985 -1.860 -6.923 1.00 0.00 H new ATOM 0 HB THR A 62 10.969 0.308 -7.260 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.989 0.580 -5.235 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.326 2.283 -5.929 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.969 1.684 -6.913 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.023 1.340 -5.167 1.00 0.00 H new ATOM 946 N ASN A 63 9.630 -1.675 -4.227 1.00 0.00 N ATOM 947 CA ASN A 63 9.151 -2.037 -2.898 1.00 0.00 C ATOM 948 C ASN A 63 8.993 -0.799 -2.020 1.00 0.00 C ATOM 949 O ASN A 63 9.002 -0.888 -0.792 1.00 0.00 O ATOM 950 CB ASN A 63 10.115 -3.024 -2.236 1.00 0.00 C ATOM 951 CG ASN A 63 9.760 -4.468 -2.536 1.00 0.00 C ATOM 952 OD1 ASN A 63 9.971 -4.953 -3.647 1.00 0.00 O ATOM 953 ND2 ASN A 63 9.216 -5.162 -1.543 1.00 0.00 N ATOM 0 H ASN A 63 10.645 -1.684 -4.326 1.00 0.00 H new ATOM 0 HA ASN A 63 8.175 -2.510 -3.008 1.00 0.00 H new ATOM 0 HB2 ASN A 63 11.130 -2.823 -2.580 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.107 -2.867 -1.157 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.955 -6.138 -1.686 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.059 -4.719 -0.638 1.00 0.00 H new ATOM 960 N THR A 64 8.846 0.358 -2.660 1.00 0.00 N ATOM 961 CA THR A 64 8.686 1.614 -1.939 1.00 0.00 C ATOM 962 C THR A 64 7.831 2.597 -2.731 1.00 0.00 C ATOM 963 O THR A 64 8.106 2.873 -3.898 1.00 0.00 O ATOM 964 CB THR A 64 10.049 2.265 -1.636 1.00 0.00 C ATOM 965 OG1 THR A 64 9.855 3.578 -1.096 1.00 0.00 O ATOM 966 CG2 THR A 64 10.901 2.349 -2.893 1.00 0.00 C ATOM 0 H THR A 64 8.835 0.450 -3.676 1.00 0.00 H new ATOM 0 HA THR A 64 8.187 1.378 -0.999 1.00 0.00 H new ATOM 0 HB THR A 64 10.569 1.645 -0.906 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.280 3.524 -0.305 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.858 2.812 -2.653 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.071 1.346 -3.285 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.385 2.949 -3.643 1.00 0.00 H new ATOM 974 N ALA A 65 6.794 3.123 -2.088 1.00 0.00 N ATOM 975 CA ALA A 65 5.900 4.078 -2.731 1.00 0.00 C ATOM 976 C ALA A 65 5.343 5.076 -1.722 1.00 0.00 C ATOM 977 O ALA A 65 5.097 4.732 -0.566 1.00 0.00 O ATOM 978 CB ALA A 65 4.766 3.347 -3.435 1.00 0.00 C ATOM 0 H ALA A 65 6.552 2.904 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 65 6.475 4.634 -3.471 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.106 4.072 -3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.178 2.680 -4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.201 2.765 -2.707 1.00 0.00 H new ATOM 984 N ARG A 66 5.148 6.313 -2.166 1.00 0.00 N ATOM 985 CA ARG A 66 4.623 7.362 -1.300 1.00 0.00 C ATOM 986 C ARG A 66 3.191 7.719 -1.686 1.00 0.00 C ATOM 987 O ARG A 66 2.894 7.953 -2.858 1.00 0.00 O ATOM 988 CB ARG A 66 5.508 8.607 -1.375 1.00 0.00 C ATOM 989 CG ARG A 66 4.772 9.898 -1.060 1.00 0.00 C ATOM 990 CD ARG A 66 5.669 11.111 -1.248 1.00 0.00 C ATOM 991 NE ARG A 66 4.901 12.325 -1.514 1.00 0.00 N ATOM 992 CZ ARG A 66 5.451 13.523 -1.673 1.00 0.00 C ATOM 993 NH1 ARG A 66 6.767 13.668 -1.594 1.00 0.00 N ATOM 994 NH2 ARG A 66 4.685 14.580 -1.912 1.00 0.00 N ATOM 0 H ARG A 66 5.346 6.614 -3.120 1.00 0.00 H new ATOM 0 HA ARG A 66 4.623 6.987 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.339 8.494 -0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.937 8.678 -2.375 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.898 9.987 -1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.408 9.869 -0.033 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.276 11.255 -0.354 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.356 10.929 -2.074 1.00 0.00 H new ATOM 0 HE ARG A 66 3.886 12.248 -1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.359 12.858 -1.411 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.187 14.589 -1.717 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.673 14.473 -1.974 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.109 15.500 -2.034 1.00 0.00 H new ATOM 1008 N ILE A 67 2.308 7.758 -0.694 1.00 0.00 N ATOM 1009 CA ILE A 67 0.907 8.087 -0.931 1.00 0.00 C ATOM 1010 C ILE A 67 0.678 9.593 -0.867 1.00 0.00 C ATOM 1011 O ILE A 67 0.983 10.236 0.137 1.00 0.00 O ATOM 1012 CB ILE A 67 -0.014 7.395 0.091 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.429 5.947 0.311 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.460 7.447 -0.379 1.00 0.00 C ATOM 1015 CD1 ILE A 67 -0.095 4.990 -0.736 1.00 0.00 C ATOM 0 H ILE A 67 2.537 7.566 0.281 1.00 0.00 H new ATOM 0 HA ILE A 67 0.663 7.727 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 67 0.058 7.925 1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.518 5.906 0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.092 5.618 1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.099 6.954 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.770 8.486 -0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.549 6.938 -1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.258 3.982 -0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.185 5.002 -0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.263 5.295 -1.719 1.00 0.00 H new ATOM 1027 N ASP A 68 0.138 10.150 -1.946 1.00 0.00 N ATOM 1028 CA ASP A 68 -0.135 11.581 -2.012 1.00 0.00 C ATOM 1029 C ASP A 68 -1.636 11.844 -2.097 1.00 0.00 C ATOM 1030 O ASP A 68 -2.384 11.050 -2.666 1.00 0.00 O ATOM 1031 CB ASP A 68 0.573 12.201 -3.217 1.00 0.00 C ATOM 1032 CG ASP A 68 0.053 11.662 -4.535 1.00 0.00 C ATOM 1033 OD1 ASP A 68 0.492 10.566 -4.941 1.00 0.00 O ATOM 1034 OD2 ASP A 68 -0.791 12.336 -5.161 1.00 0.00 O ATOM 0 H ASP A 68 -0.119 9.632 -2.786 1.00 0.00 H new ATOM 0 HA ASP A 68 0.245 12.042 -1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.443 13.283 -3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.643 12.007 -3.145 1.00 0.00 H new ATOM 1039 N GLY A 69 -2.068 12.964 -1.525 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.477 13.311 -1.546 1.00 0.00 C ATOM 1041 C GLY A 69 -4.180 12.961 -0.250 1.00 0.00 C ATOM 1042 O GLY A 69 -5.202 12.273 -0.255 1.00 0.00 O ATOM 0 H GLY A 69 -1.468 13.637 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.582 14.379 -1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.964 12.791 -2.371 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.632 13.433 0.864 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.212 13.164 2.176 1.00 0.00 C ATOM 1048 C LEU A 70 -4.347 14.450 2.985 1.00 0.00 C ATOM 1049 O LEU A 70 -3.894 15.513 2.560 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.352 12.155 2.939 1.00 0.00 C ATOM 1051 CG LEU A 70 -2.824 10.973 2.126 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -1.898 10.114 2.973 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -3.977 10.142 1.583 1.00 0.00 C ATOM 0 H LEU A 70 -2.787 14.004 0.886 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.207 12.744 2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.501 12.684 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.938 11.765 3.772 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.254 11.362 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.532 9.278 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.054 10.714 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.443 9.733 3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.583 9.305 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.574 9.762 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.602 10.762 0.940 1.00 0.00 H new ATOM 1065 N ARG A 71 -4.970 14.345 4.154 1.00 0.00 N ATOM 1066 CA ARG A 71 -5.164 15.499 5.024 1.00 0.00 C ATOM 1067 C ARG A 71 -4.229 15.435 6.228 1.00 0.00 C ATOM 1068 O ARG A 71 -3.802 14.362 6.657 1.00 0.00 O ATOM 1069 CB ARG A 71 -6.617 15.571 5.496 1.00 0.00 C ATOM 1070 CG ARG A 71 -7.611 15.814 4.373 1.00 0.00 C ATOM 1071 CD ARG A 71 -7.828 17.300 4.132 1.00 0.00 C ATOM 1072 NE ARG A 71 -8.633 17.913 5.186 1.00 0.00 N ATOM 1073 CZ ARG A 71 -9.958 17.836 5.237 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -10.624 17.176 4.299 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -10.620 18.420 6.227 1.00 0.00 N ATOM 0 H ARG A 71 -5.349 13.472 4.521 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.931 16.397 4.452 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.873 14.639 6.001 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.712 16.369 6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.249 15.345 3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.562 15.342 4.619 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.863 17.803 4.074 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.320 17.443 3.170 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.151 18.428 5.923 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.119 16.726 3.536 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.642 17.119 4.341 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.112 18.929 6.950 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.638 18.360 6.265 1.00 0.00 H new ATOM 1089 N PRO A 72 -3.902 16.609 6.787 1.00 0.00 N ATOM 1090 CA PRO A 72 -3.015 16.713 7.949 1.00 0.00 C ATOM 1091 C PRO A 72 -3.660 16.176 9.222 1.00 0.00 C ATOM 1092 O PRO A 72 -4.813 16.483 9.522 1.00 0.00 O ATOM 1093 CB PRO A 72 -2.765 18.218 8.071 1.00 0.00 C ATOM 1094 CG PRO A 72 -3.953 18.852 7.436 1.00 0.00 C ATOM 1095 CD PRO A 72 -4.374 17.926 6.328 1.00 0.00 C ATOM 0 HA PRO A 72 -2.106 16.125 7.821 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.665 18.519 9.114 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.844 18.509 7.566 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.757 18.986 8.159 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.707 19.840 7.047 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.454 17.938 6.183 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.922 18.206 5.377 1.00 0.00 H new ATOM 1103 N GLY A 73 -2.909 15.371 9.968 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.426 14.804 11.200 1.00 0.00 C ATOM 1105 C GLY A 73 -4.553 13.821 10.957 1.00 0.00 C ATOM 1106 O GLY A 73 -5.572 13.853 11.646 1.00 0.00 O ATOM 0 H GLY A 73 -1.952 15.101 9.741 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.618 14.302 11.732 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.782 15.607 11.845 1.00 0.00 H new ATOM 1110 N MET A 74 -4.372 12.946 9.973 1.00 0.00 N ATOM 1111 CA MET A 74 -5.383 11.949 9.641 1.00 0.00 C ATOM 1112 C MET A 74 -4.752 10.573 9.461 1.00 0.00 C ATOM 1113 O MET A 74 -3.638 10.452 8.951 1.00 0.00 O ATOM 1114 CB MET A 74 -6.129 12.352 8.368 1.00 0.00 C ATOM 1115 CG MET A 74 -7.149 11.323 7.909 1.00 0.00 C ATOM 1116 SD MET A 74 -8.543 12.067 7.040 1.00 0.00 S ATOM 1117 CE MET A 74 -9.091 13.272 8.247 1.00 0.00 C ATOM 0 H MET A 74 -3.535 12.907 9.392 1.00 0.00 H new ATOM 0 HA MET A 74 -6.092 11.898 10.468 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.635 13.302 8.539 1.00 0.00 H new ATOM 0 HB3 MET A 74 -5.406 12.516 7.569 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.661 10.601 7.254 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.517 10.771 8.774 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.180 13.321 8.243 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.744 12.978 9.238 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.683 14.251 7.995 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.470 9.537 9.882 1.00 0.00 N ATOM 1128 CA VAL A 75 -4.979 8.168 9.766 1.00 0.00 C ATOM 1129 C VAL A 75 -5.495 7.506 8.493 1.00 0.00 C ATOM 1130 O VAL A 75 -6.667 7.644 8.140 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.397 7.318 10.980 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -4.876 5.895 10.840 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -4.900 7.951 12.271 1.00 0.00 C ATOM 0 H VAL A 75 -6.394 9.619 10.307 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.891 8.223 9.728 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.486 7.280 11.017 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.181 5.309 11.707 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.285 5.445 9.936 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.788 5.910 10.777 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.205 7.337 13.118 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.813 8.022 12.246 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.326 8.949 12.375 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.614 6.786 7.809 1.00 0.00 N ATOM 1144 CA TYR A 76 -4.979 6.103 6.574 1.00 0.00 C ATOM 1145 C TYR A 76 -4.489 4.658 6.585 1.00 0.00 C ATOM 1146 O TYR A 76 -3.322 4.388 6.869 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.398 6.841 5.367 1.00 0.00 C ATOM 1148 CG TYR A 76 -4.968 8.228 5.173 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -4.411 9.326 5.817 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -6.064 8.440 4.346 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -4.929 10.595 5.643 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -6.588 9.706 4.165 1.00 0.00 C ATOM 1153 CZ TYR A 76 -6.018 10.780 4.816 1.00 0.00 C ATOM 1154 OH TYR A 76 -6.536 12.042 4.640 1.00 0.00 O ATOM 0 H TYR A 76 -3.641 6.660 8.089 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.066 6.098 6.499 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.317 6.915 5.483 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.583 6.252 4.468 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.558 9.185 6.465 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.514 7.601 3.836 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.484 11.438 6.151 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.439 9.854 3.517 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.171 12.238 5.360 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.390 3.732 6.272 1.00 0.00 N ATOM 1165 CA VAL A 77 -5.051 2.314 6.243 1.00 0.00 C ATOM 1166 C VAL A 77 -4.467 1.916 4.893 1.00 0.00 C ATOM 1167 O VAL A 77 -5.201 1.648 3.941 1.00 0.00 O ATOM 1168 CB VAL A 77 -6.283 1.437 6.536 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -5.907 -0.037 6.509 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -6.898 1.814 7.875 1.00 0.00 C ATOM 0 H VAL A 77 -6.360 3.938 6.035 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.305 2.151 7.020 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.026 1.612 5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.790 -0.642 6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.515 -0.295 5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.146 -0.232 7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.767 1.185 8.066 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.163 1.668 8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.205 2.860 7.853 1.00 0.00 H new ATOM 1180 N VAL A 78 -3.140 1.879 4.816 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.456 1.512 3.582 1.00 0.00 C ATOM 1182 C VAL A 78 -2.033 0.047 3.603 1.00 0.00 C ATOM 1183 O VAL A 78 -1.599 -0.468 4.633 1.00 0.00 O ATOM 1184 CB VAL A 78 -1.213 2.390 3.346 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.582 2.073 1.999 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.578 3.864 3.440 1.00 0.00 C ATOM 0 H VAL A 78 -2.518 2.099 5.594 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.164 1.672 2.769 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.481 2.170 4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.295 2.703 1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.284 1.025 1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.304 2.263 1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.688 4.471 3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.328 4.102 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.979 4.077 4.431 1.00 0.00 H new ATOM 1196 N GLN A 79 -2.162 -0.617 2.459 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.793 -2.023 2.347 1.00 0.00 C ATOM 1198 C GLN A 79 -1.128 -2.306 1.004 1.00 0.00 C ATOM 1199 O GLN A 79 -1.540 -1.776 -0.028 1.00 0.00 O ATOM 1200 CB GLN A 79 -3.027 -2.911 2.516 1.00 0.00 C ATOM 1201 CG GLN A 79 -3.511 -3.013 3.953 1.00 0.00 C ATOM 1202 CD GLN A 79 -4.256 -4.304 4.228 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -3.660 -5.307 4.622 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -5.568 -4.287 4.021 1.00 0.00 N ATOM 0 H GLN A 79 -2.519 -0.204 1.597 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.080 -2.250 3.140 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.834 -2.519 1.897 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.798 -3.911 2.147 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.657 -2.941 4.626 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.163 -2.168 4.174 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.022 -3.434 3.694 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.122 -5.127 4.189 1.00 0.00 H new ATOM 1213 N VAL A 80 -0.097 -3.145 1.024 1.00 0.00 N ATOM 1214 CA VAL A 80 0.624 -3.499 -0.193 1.00 0.00 C ATOM 1215 C VAL A 80 0.527 -4.994 -0.474 1.00 0.00 C ATOM 1216 O VAL A 80 0.560 -5.812 0.446 1.00 0.00 O ATOM 1217 CB VAL A 80 2.109 -3.100 -0.100 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.796 -3.856 1.027 1.00 0.00 C ATOM 1219 CG2 VAL A 80 2.811 -3.351 -1.426 1.00 0.00 C ATOM 0 H VAL A 80 0.258 -3.592 1.869 1.00 0.00 H new ATOM 0 HA VAL A 80 0.157 -2.948 -1.010 1.00 0.00 H new ATOM 0 HB VAL A 80 2.168 -2.034 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.844 -3.561 1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.308 -3.622 1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.729 -4.928 0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.859 -3.064 -1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.744 -4.409 -1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.334 -2.760 -2.208 1.00 0.00 H new ATOM 1229 N ARG A 81 0.408 -5.344 -1.750 1.00 0.00 N ATOM 1230 CA ARG A 81 0.305 -6.741 -2.153 1.00 0.00 C ATOM 1231 C ARG A 81 1.288 -7.057 -3.276 1.00 0.00 C ATOM 1232 O ARG A 81 1.817 -6.154 -3.924 1.00 0.00 O ATOM 1233 CB ARG A 81 -1.121 -7.060 -2.604 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.569 -6.262 -3.818 1.00 0.00 C ATOM 1235 CD ARG A 81 -2.744 -6.926 -4.519 1.00 0.00 C ATOM 1236 NE ARG A 81 -4.026 -6.481 -3.980 1.00 0.00 N ATOM 1237 CZ ARG A 81 -5.144 -7.194 -4.061 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -5.138 -8.379 -4.655 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -6.272 -6.721 -3.546 1.00 0.00 N ATOM 0 H ARG A 81 0.381 -4.679 -2.523 1.00 0.00 H new ATOM 0 HA ARG A 81 0.553 -7.361 -1.291 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.191 -8.123 -2.833 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.806 -6.865 -1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.850 -5.255 -3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.738 -6.161 -4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.702 -6.704 -5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.663 -8.008 -4.416 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.065 -5.573 -3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.273 -8.746 -5.052 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.998 -8.924 -4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.281 -5.810 -3.088 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.130 -7.269 -3.608 1.00 0.00 H new ATOM 1253 N ALA A 82 1.528 -8.344 -3.501 1.00 0.00 N ATOM 1254 CA ALA A 82 2.446 -8.779 -4.547 1.00 0.00 C ATOM 1255 C ALA A 82 1.688 -9.338 -5.745 1.00 0.00 C ATOM 1256 O ALA A 82 0.740 -10.109 -5.588 1.00 0.00 O ATOM 1257 CB ALA A 82 3.414 -9.818 -4.000 1.00 0.00 C ATOM 0 H ALA A 82 1.100 -9.104 -2.973 1.00 0.00 H new ATOM 0 HA ALA A 82 3.013 -7.911 -4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.094 -10.134 -4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.988 -9.385 -3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.855 -10.680 -3.636 1.00 0.00 H new ATOM 1263 N ARG A 83 2.110 -8.945 -6.943 1.00 0.00 N ATOM 1264 CA ARG A 83 1.468 -9.406 -8.168 1.00 0.00 C ATOM 1265 C ARG A 83 2.496 -9.993 -9.132 1.00 0.00 C ATOM 1266 O ARG A 83 3.560 -9.413 -9.351 1.00 0.00 O ATOM 1267 CB ARG A 83 0.721 -8.254 -8.842 1.00 0.00 C ATOM 1268 CG ARG A 83 -0.040 -8.669 -10.091 1.00 0.00 C ATOM 1269 CD ARG A 83 -0.148 -7.523 -11.085 1.00 0.00 C ATOM 1270 NE ARG A 83 -0.233 -8.000 -12.462 1.00 0.00 N ATOM 1271 CZ ARG A 83 -0.529 -7.217 -13.494 1.00 0.00 C ATOM 1272 NH1 ARG A 83 -0.765 -5.926 -13.304 1.00 0.00 N ATOM 1273 NH2 ARG A 83 -0.588 -7.725 -14.718 1.00 0.00 N ATOM 0 H ARG A 83 2.893 -8.309 -7.091 1.00 0.00 H new ATOM 0 HA ARG A 83 0.755 -10.187 -7.904 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.021 -7.819 -8.128 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.435 -7.473 -9.105 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.464 -9.514 -10.561 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.039 -9.007 -9.814 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.029 -6.924 -10.854 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.718 -6.869 -10.980 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.056 -8.988 -12.642 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.719 -5.532 -12.364 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.992 -5.327 -14.098 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.406 -8.717 -14.868 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.815 -7.123 -15.510 1.00 0.00 H new ATOM 1287 N THR A 84 2.170 -11.147 -9.706 1.00 0.00 N ATOM 1288 CA THR A 84 3.064 -11.813 -10.644 1.00 0.00 C ATOM 1289 C THR A 84 2.303 -12.316 -11.866 1.00 0.00 C ATOM 1290 O THR A 84 1.073 -12.272 -11.905 1.00 0.00 O ATOM 1291 CB THR A 84 3.790 -12.999 -9.982 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.890 -14.102 -9.830 1.00 0.00 O ATOM 1293 CG2 THR A 84 4.348 -12.602 -8.624 1.00 0.00 C ATOM 0 H THR A 84 1.293 -11.640 -9.537 1.00 0.00 H new ATOM 0 HA THR A 84 3.801 -11.074 -10.957 1.00 0.00 H new ATOM 0 HB THR A 84 4.619 -13.294 -10.626 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.360 -14.852 -9.410 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.856 -13.456 -8.176 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.056 -11.782 -8.747 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.533 -12.283 -7.975 1.00 0.00 H new ATOM 1301 N VAL A 85 3.042 -12.794 -12.862 1.00 0.00 N ATOM 1302 CA VAL A 85 2.437 -13.307 -14.085 1.00 0.00 C ATOM 1303 C VAL A 85 1.450 -14.429 -13.781 1.00 0.00 C ATOM 1304 O VAL A 85 0.672 -14.835 -14.643 1.00 0.00 O ATOM 1305 CB VAL A 85 3.505 -13.828 -15.064 1.00 0.00 C ATOM 1306 CG1 VAL A 85 3.936 -15.236 -14.684 1.00 0.00 C ATOM 1307 CG2 VAL A 85 2.983 -13.789 -16.492 1.00 0.00 C ATOM 0 H VAL A 85 4.061 -12.837 -12.846 1.00 0.00 H new ATOM 0 HA VAL A 85 1.906 -12.476 -14.548 1.00 0.00 H new ATOM 0 HB VAL A 85 4.377 -13.177 -15.002 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.691 -15.588 -15.387 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.353 -15.230 -13.677 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.073 -15.901 -14.715 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.751 -14.161 -17.170 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.094 -14.415 -16.572 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.729 -12.763 -16.759 1.00 0.00 H new ATOM 1317 N ALA A 86 1.489 -14.926 -12.549 1.00 0.00 N ATOM 1318 CA ALA A 86 0.597 -15.999 -12.130 1.00 0.00 C ATOM 1319 C ALA A 86 -0.748 -15.448 -11.669 1.00 0.00 C ATOM 1320 O ALA A 86 -1.802 -15.955 -12.050 1.00 0.00 O ATOM 1321 CB ALA A 86 1.241 -16.819 -11.022 1.00 0.00 C ATOM 0 H ALA A 86 2.129 -14.602 -11.824 1.00 0.00 H new ATOM 0 HA ALA A 86 0.419 -16.645 -12.989 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.563 -17.617 -10.719 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.173 -17.253 -11.385 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.449 -16.176 -10.167 1.00 0.00 H new ATOM 1327 N GLY A 87 -0.704 -14.405 -10.846 1.00 0.00 N ATOM 1328 CA GLY A 87 -1.926 -13.802 -10.346 1.00 0.00 C ATOM 1329 C GLY A 87 -1.659 -12.695 -9.346 1.00 0.00 C ATOM 1330 O GLY A 87 -0.607 -12.055 -9.383 1.00 0.00 O ATOM 0 H GLY A 87 0.156 -13.967 -10.516 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.499 -13.401 -11.183 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.541 -14.570 -9.877 1.00 0.00 H new ATOM 1334 N TYR A 88 -2.613 -12.466 -8.450 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.478 -11.425 -7.438 1.00 0.00 C ATOM 1336 C TYR A 88 -2.283 -12.034 -6.053 1.00 0.00 C ATOM 1337 O TYR A 88 -2.715 -13.156 -5.789 1.00 0.00 O ATOM 1338 CB TYR A 88 -3.710 -10.519 -7.440 1.00 0.00 C ATOM 1339 CG TYR A 88 -3.664 -9.436 -8.493 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -3.891 -9.730 -9.832 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -3.391 -8.117 -8.150 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -3.848 -8.743 -10.798 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -3.348 -7.124 -9.109 1.00 0.00 C ATOM 1344 CZ TYR A 88 -3.577 -7.442 -10.431 1.00 0.00 C ATOM 1345 OH TYR A 88 -3.534 -6.455 -11.390 1.00 0.00 O ATOM 0 H TYR A 88 -3.488 -12.988 -8.404 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.598 -10.830 -7.681 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.599 -11.130 -7.598 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.811 -10.056 -6.459 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.105 -10.748 -10.123 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.209 -7.864 -7.116 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.026 -8.989 -11.834 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.136 -6.104 -8.825 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.332 -5.595 -10.966 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.628 -11.285 -5.171 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.387 -11.766 -3.823 1.00 0.00 C ATOM 1357 C GLY A 89 -2.219 -11.035 -2.789 1.00 0.00 C ATOM 1358 O GLY A 89 -2.763 -9.964 -3.062 1.00 0.00 O ATOM 0 H GLY A 89 -1.260 -10.354 -5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.609 -12.832 -3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.330 -11.650 -3.583 1.00 0.00 H new ATOM 1362 N LYS A 90 -2.321 -11.613 -1.597 1.00 0.00 N ATOM 1363 CA LYS A 90 -3.093 -11.010 -0.517 1.00 0.00 C ATOM 1364 C LYS A 90 -2.390 -9.771 0.028 1.00 0.00 C ATOM 1365 O LYS A 90 -1.226 -9.518 -0.283 1.00 0.00 O ATOM 1366 CB LYS A 90 -3.310 -12.023 0.610 1.00 0.00 C ATOM 1367 CG LYS A 90 -4.414 -13.026 0.322 1.00 0.00 C ATOM 1368 CD LYS A 90 -4.424 -14.153 1.341 1.00 0.00 C ATOM 1369 CE LYS A 90 -5.029 -13.704 2.662 1.00 0.00 C ATOM 1370 NZ LYS A 90 -5.456 -14.861 3.497 1.00 0.00 N ATOM 0 H LYS A 90 -1.878 -12.499 -1.354 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.061 -10.710 -0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.379 -12.561 0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.548 -11.487 1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.379 -12.519 0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.279 -13.439 -0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.992 -14.996 0.947 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.406 -14.504 1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.300 -13.109 3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.886 -13.059 2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.863 -14.514 4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.170 -15.415 2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.633 -15.463 3.703 1.00 0.00 H new ATOM 1384 N PHE A 91 -3.104 -9.002 0.844 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.548 -7.789 1.433 1.00 0.00 C ATOM 1386 C PHE A 91 -1.694 -8.119 2.653 1.00 0.00 C ATOM 1387 O PHE A 91 -1.957 -9.089 3.364 1.00 0.00 O ATOM 1388 CB PHE A 91 -3.671 -6.828 1.827 1.00 0.00 C ATOM 1389 CG PHE A 91 -4.172 -5.990 0.686 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -3.342 -5.066 0.071 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -5.472 -6.127 0.227 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.800 -4.294 -0.980 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.936 -5.357 -0.824 1.00 0.00 C ATOM 1394 CZ PHE A 91 -5.098 -4.440 -1.428 1.00 0.00 C ATOM 0 H PHE A 91 -4.069 -9.197 1.112 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.914 -7.310 0.687 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.502 -7.402 2.238 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.314 -6.171 2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.326 -4.948 0.417 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.131 -6.843 0.695 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.143 -3.577 -1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.952 -5.473 -1.172 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.457 -3.838 -2.249 1.00 0.00 H new ATOM 1404 N SER A 92 -0.670 -7.306 2.889 1.00 0.00 N ATOM 1405 CA SER A 92 0.227 -7.513 4.020 1.00 0.00 C ATOM 1406 C SER A 92 -0.419 -7.039 5.319 1.00 0.00 C ATOM 1407 O SER A 92 -1.425 -6.332 5.303 1.00 0.00 O ATOM 1408 CB SER A 92 1.547 -6.773 3.794 1.00 0.00 C ATOM 1409 OG SER A 92 1.319 -5.419 3.444 1.00 0.00 O ATOM 0 H SER A 92 -0.440 -6.497 2.312 1.00 0.00 H new ATOM 0 HA SER A 92 0.427 -8.581 4.102 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.154 -6.821 4.698 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.113 -7.266 3.004 1.00 0.00 H new ATOM 0 HG SER A 92 1.126 -5.357 2.485 1.00 0.00 H new ATOM 1415 N GLY A 93 0.169 -7.436 6.444 1.00 0.00 N ATOM 1416 CA GLY A 93 -0.362 -7.043 7.736 1.00 0.00 C ATOM 1417 C GLY A 93 -0.881 -5.619 7.742 1.00 0.00 C ATOM 1418 O GLY A 93 -0.129 -4.677 7.993 1.00 0.00 O ATOM 0 H GLY A 93 1.003 -8.022 6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.168 -7.721 8.015 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.417 -7.146 8.492 1.00 0.00 H new ATOM 1422 N LYS A 94 -2.170 -5.459 7.462 1.00 0.00 N ATOM 1423 CA LYS A 94 -2.790 -4.140 7.435 1.00 0.00 C ATOM 1424 C LYS A 94 -2.226 -3.251 8.539 1.00 0.00 C ATOM 1425 O LYS A 94 -2.137 -3.663 9.695 1.00 0.00 O ATOM 1426 CB LYS A 94 -4.307 -4.263 7.590 1.00 0.00 C ATOM 1427 CG LYS A 94 -4.935 -3.116 8.362 1.00 0.00 C ATOM 1428 CD LYS A 94 -6.362 -2.854 7.910 1.00 0.00 C ATOM 1429 CE LYS A 94 -7.271 -4.032 8.222 1.00 0.00 C ATOM 1430 NZ LYS A 94 -7.858 -3.933 9.588 1.00 0.00 N ATOM 0 H LYS A 94 -2.806 -6.228 7.250 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.566 -3.681 6.472 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.762 -4.316 6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.537 -5.200 8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.926 -3.346 9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.338 -2.214 8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.742 -1.959 8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.375 -2.657 6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.072 -4.078 7.485 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.706 -4.960 8.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.471 -4.754 9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.094 -3.915 10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.419 -3.060 9.662 1.00 0.00 H new ATOM 1444 N MET A 95 -1.849 -2.030 8.175 1.00 0.00 N ATOM 1445 CA MET A 95 -1.296 -1.083 9.136 1.00 0.00 C ATOM 1446 C MET A 95 -1.922 0.297 8.961 1.00 0.00 C ATOM 1447 O MET A 95 -2.410 0.635 7.882 1.00 0.00 O ATOM 1448 CB MET A 95 0.223 -0.990 8.979 1.00 0.00 C ATOM 1449 CG MET A 95 0.941 -0.569 10.250 1.00 0.00 C ATOM 1450 SD MET A 95 2.735 -0.691 10.108 1.00 0.00 S ATOM 1451 CE MET A 95 2.930 -2.443 9.790 1.00 0.00 C ATOM 0 H MET A 95 -1.916 -1.673 7.222 1.00 0.00 H new ATOM 0 HA MET A 95 -1.528 -1.444 10.138 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.607 -1.959 8.659 1.00 0.00 H new ATOM 0 HB3 MET A 95 0.455 -0.278 8.187 1.00 0.00 H new ATOM 0 HG2 MET A 95 0.669 0.458 10.493 1.00 0.00 H new ATOM 0 HG3 MET A 95 0.603 -1.193 11.077 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.968 -2.730 9.958 1.00 0.00 H new ATOM 0 HE2 MET A 95 2.284 -3.009 10.461 1.00 0.00 H new ATOM 0 HE3 MET A 95 2.657 -2.658 8.757 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.906 1.089 10.027 1.00 0.00 N ATOM 1462 CA CYS A 96 -2.473 2.432 9.991 1.00 0.00 C ATOM 1463 C CYS A 96 -1.378 3.488 10.100 1.00 0.00 C ATOM 1464 O CYS A 96 -0.716 3.607 11.132 1.00 0.00 O ATOM 1465 CB CYS A 96 -3.486 2.611 11.123 1.00 0.00 C ATOM 1466 SG CYS A 96 -2.791 2.388 12.777 1.00 0.00 S ATOM 0 H CYS A 96 -1.506 0.824 10.927 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.981 2.560 9.035 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -3.919 3.609 11.054 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.300 1.900 10.984 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.546 2.763 12.779 1.00 0.00 H new ATOM 1472 N PHE A 97 -1.191 4.253 9.029 1.00 0.00 N ATOM 1473 CA PHE A 97 -0.174 5.297 9.004 1.00 0.00 C ATOM 1474 C PHE A 97 -0.817 6.682 9.002 1.00 0.00 C ATOM 1475 O PHE A 97 -1.667 6.981 8.164 1.00 0.00 O ATOM 1476 CB PHE A 97 0.721 5.137 7.773 1.00 0.00 C ATOM 1477 CG PHE A 97 1.229 3.737 7.580 1.00 0.00 C ATOM 1478 CD1 PHE A 97 2.338 3.286 8.277 1.00 0.00 C ATOM 1479 CD2 PHE A 97 0.597 2.871 6.702 1.00 0.00 C ATOM 1480 CE1 PHE A 97 2.808 1.997 8.102 1.00 0.00 C ATOM 1481 CE2 PHE A 97 1.062 1.582 6.523 1.00 0.00 C ATOM 1482 CZ PHE A 97 2.169 1.145 7.223 1.00 0.00 C ATOM 0 H PHE A 97 -1.731 4.169 8.168 1.00 0.00 H new ATOM 0 HA PHE A 97 0.435 5.199 9.903 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.163 5.438 6.886 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.570 5.814 7.861 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.842 3.949 8.965 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.269 3.207 6.151 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.673 1.657 8.652 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.560 0.917 5.836 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.535 0.138 7.083 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.403 7.520 9.947 1.00 0.00 N ATOM 1493 CA GLN A 98 -0.939 8.872 10.055 1.00 0.00 C ATOM 1494 C GLN A 98 0.016 9.887 9.435 1.00 0.00 C ATOM 1495 O GLN A 98 1.203 9.612 9.257 1.00 0.00 O ATOM 1496 CB GLN A 98 -1.196 9.225 11.521 1.00 0.00 C ATOM 1497 CG GLN A 98 0.066 9.266 12.368 1.00 0.00 C ATOM 1498 CD GLN A 98 -0.040 10.238 13.527 1.00 0.00 C ATOM 1499 OE1 GLN A 98 0.760 11.165 13.649 1.00 0.00 O ATOM 1500 NE2 GLN A 98 -1.032 10.029 14.385 1.00 0.00 N ATOM 0 H GLN A 98 0.301 7.287 10.648 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.882 8.907 9.509 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.689 10.196 11.571 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -1.885 8.495 11.946 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.273 8.268 12.754 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.912 9.546 11.740 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.672 9.247 14.244 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.154 10.650 15.185 1.00 0.00 H new ATOM 1509 N THR A 99 -0.510 11.063 9.108 1.00 0.00 N ATOM 1510 CA THR A 99 0.294 12.119 8.506 1.00 0.00 C ATOM 1511 C THR A 99 0.886 13.034 9.572 1.00 0.00 C ATOM 1512 O THR A 99 0.699 12.813 10.769 1.00 0.00 O ATOM 1513 CB THR A 99 -0.535 12.966 7.522 1.00 0.00 C ATOM 1514 OG1 THR A 99 -1.767 13.364 8.136 1.00 0.00 O ATOM 1515 CG2 THR A 99 -0.826 12.186 6.249 1.00 0.00 C ATOM 0 H THR A 99 -1.490 11.308 9.250 1.00 0.00 H new ATOM 0 HA THR A 99 1.101 11.629 7.961 1.00 0.00 H new ATOM 0 HB THR A 99 0.044 13.852 7.262 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.375 13.714 7.452 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.412 12.804 5.569 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.113 11.909 5.769 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.387 11.284 6.495 1.00 0.00 H new ATOM 1523 N LEU A 100 1.602 14.063 9.131 1.00 0.00 N ATOM 1524 CA LEU A 100 2.222 15.013 10.048 1.00 0.00 C ATOM 1525 C LEU A 100 1.180 15.955 10.642 1.00 0.00 C ATOM 1526 O LEU A 100 0.324 16.482 9.929 1.00 0.00 O ATOM 1527 CB LEU A 100 3.302 15.819 9.325 1.00 0.00 C ATOM 1528 CG LEU A 100 4.479 15.017 8.768 1.00 0.00 C ATOM 1529 CD1 LEU A 100 5.484 15.940 8.097 1.00 0.00 C ATOM 1530 CD2 LEU A 100 5.145 14.211 9.873 1.00 0.00 C ATOM 0 H LEU A 100 1.767 14.261 8.144 1.00 0.00 H new ATOM 0 HA LEU A 100 2.681 14.450 10.861 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.834 16.359 8.502 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.692 16.567 10.015 1.00 0.00 H new ATOM 0 HG LEU A 100 4.099 14.323 8.019 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.314 15.352 7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.999 16.472 7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.860 16.659 8.825 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.980 13.646 9.459 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.511 14.887 10.646 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.421 13.522 10.307 1.00 0.00 H new ATOM 1542 N THR A 101 1.258 16.166 11.952 1.00 0.00 N ATOM 1543 CA THR A 101 0.324 17.046 12.642 1.00 0.00 C ATOM 1544 C THR A 101 0.922 18.433 12.846 1.00 0.00 C ATOM 1545 O THR A 101 1.805 18.622 13.683 1.00 0.00 O ATOM 1546 CB THR A 101 -0.084 16.469 14.011 1.00 0.00 C ATOM 1547 OG1 THR A 101 1.039 16.475 14.900 1.00 0.00 O ATOM 1548 CG2 THR A 101 -0.614 15.050 13.865 1.00 0.00 C ATOM 0 H THR A 101 1.959 15.739 12.557 1.00 0.00 H new ATOM 0 HA THR A 101 -0.561 17.125 12.010 1.00 0.00 H new ATOM 0 HB THR A 101 -0.876 17.095 14.422 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.725 17.085 14.557 1.00 0.00 H new ATOM 0 HG21 THR A 101 -0.895 14.664 14.845 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.487 15.053 13.212 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.160 14.415 13.434 1.00 0.00 H new ATOM 1556 N ASP A 102 0.436 19.400 12.076 1.00 0.00 N ATOM 1557 CA ASP A 102 0.922 20.772 12.174 1.00 0.00 C ATOM 1558 C ASP A 102 0.227 21.516 13.309 1.00 0.00 C ATOM 1559 O ASP A 102 -0.243 22.640 13.133 1.00 0.00 O ATOM 1560 CB ASP A 102 0.700 21.509 10.852 1.00 0.00 C ATOM 1561 CG ASP A 102 1.041 22.984 10.948 1.00 0.00 C ATOM 1562 OD1 ASP A 102 2.145 23.307 11.432 1.00 0.00 O ATOM 1563 OD2 ASP A 102 0.202 23.814 10.540 1.00 0.00 O ATOM 0 H ASP A 102 -0.294 19.260 11.377 1.00 0.00 H new ATOM 0 HA ASP A 102 1.990 20.739 12.388 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.310 21.048 10.075 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -0.341 21.399 10.548 1.00 0.00 H new ATOM 1568 N SER A 103 0.163 20.880 14.475 1.00 0.00 N ATOM 1569 CA SER A 103 -0.480 21.479 15.638 1.00 0.00 C ATOM 1570 C SER A 103 0.544 22.186 16.521 1.00 0.00 C ATOM 1571 O SER A 103 0.531 23.409 16.649 1.00 0.00 O ATOM 1572 CB SER A 103 -1.217 20.410 16.448 1.00 0.00 C ATOM 1573 OG SER A 103 -2.093 20.999 17.393 1.00 0.00 O ATOM 0 H SER A 103 0.549 19.950 14.639 1.00 0.00 H new ATOM 0 HA SER A 103 -1.200 22.217 15.284 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.783 19.766 15.775 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.494 19.777 16.963 1.00 0.00 H new ATOM 0 HG SER A 103 -2.553 20.295 17.896 1.00 0.00 H new ATOM 1579 N GLY A 104 1.432 21.404 17.129 1.00 0.00 N ATOM 1580 CA GLY A 104 2.451 21.971 17.992 1.00 0.00 C ATOM 1581 C GLY A 104 2.812 21.053 19.143 1.00 0.00 C ATOM 1582 O GLY A 104 2.602 19.842 19.089 1.00 0.00 O ATOM 0 H GLY A 104 1.463 20.388 17.039 1.00 0.00 H new ATOM 0 HA2 GLY A 104 3.345 22.181 17.404 1.00 0.00 H new ATOM 0 HA3 GLY A 104 2.099 22.924 18.388 1.00 0.00 H new ATOM 1586 N PRO A 105 3.371 21.634 20.215 1.00 0.00 N ATOM 1587 CA PRO A 105 3.775 20.878 21.405 1.00 0.00 C ATOM 1588 C PRO A 105 2.579 20.352 22.191 1.00 0.00 C ATOM 1589 O PRO A 105 2.738 19.595 23.148 1.00 0.00 O ATOM 1590 CB PRO A 105 4.549 21.907 22.233 1.00 0.00 C ATOM 1591 CG PRO A 105 4.005 23.226 21.803 1.00 0.00 C ATOM 1592 CD PRO A 105 3.651 23.074 20.349 1.00 0.00 C ATOM 0 HA PRO A 105 4.357 19.993 21.148 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.402 21.747 23.301 1.00 0.00 H new ATOM 0 HB3 PRO A 105 5.621 21.841 22.046 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.129 23.497 22.392 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.742 24.017 21.945 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.785 23.679 20.081 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.470 23.386 19.701 1.00 0.00 H new ATOM 1600 N SER A 106 1.382 20.758 21.780 1.00 0.00 N ATOM 1601 CA SER A 106 0.159 20.330 22.449 1.00 0.00 C ATOM 1602 C SER A 106 0.274 18.882 22.918 1.00 0.00 C ATOM 1603 O SER A 106 0.060 18.579 24.091 1.00 0.00 O ATOM 1604 CB SER A 106 -1.040 20.480 21.511 1.00 0.00 C ATOM 1605 OG SER A 106 -2.254 20.538 22.240 1.00 0.00 O ATOM 0 H SER A 106 1.233 21.382 20.987 1.00 0.00 H new ATOM 0 HA SER A 106 0.010 20.966 23.322 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.927 21.385 20.914 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.069 19.641 20.816 1.00 0.00 H new ATOM 0 HG SER A 106 -3.005 20.636 21.618 1.00 0.00 H new ATOM 1611 N SER A 107 0.614 17.992 21.991 1.00 0.00 N ATOM 1612 CA SER A 107 0.755 16.575 22.306 1.00 0.00 C ATOM 1613 C SER A 107 1.921 15.961 21.538 1.00 0.00 C ATOM 1614 O SER A 107 1.872 15.826 20.316 1.00 0.00 O ATOM 1615 CB SER A 107 -0.538 15.827 21.976 1.00 0.00 C ATOM 1616 OG SER A 107 -0.662 15.613 20.581 1.00 0.00 O ATOM 0 H SER A 107 0.797 18.227 21.015 1.00 0.00 H new ATOM 0 HA SER A 107 0.957 16.484 23.373 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.551 14.869 22.496 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.394 16.397 22.337 1.00 0.00 H new ATOM 0 HG SER A 107 0.170 15.875 20.135 1.00 0.00 H new ATOM 1622 N GLY A 108 2.970 15.589 22.266 1.00 0.00 N ATOM 1623 CA GLY A 108 4.135 14.994 21.637 1.00 0.00 C ATOM 1624 C GLY A 108 4.914 14.104 22.586 1.00 0.00 C ATOM 1625 O GLY A 108 5.565 13.151 22.159 1.00 0.00 O ATOM 0 H GLY A 108 3.034 15.689 23.279 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.819 14.410 20.773 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.788 15.784 21.266 1.00 0.00 H new TER 1629 GLY A 108