USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 716 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 23 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 27 HIS : no HD1:sc= -3.95! C(o=-3.9!,f=-4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -55:sc= 0.0823 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 116:sc= 0.34 USER MOD Single : A 6 SER OG : rot 34:sc= 0.213 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 173:sc= 0 (180deg=-0.132) USER MOD Single : A 19 LYS NZ :NH3+ 146:sc= 0.0485 (180deg=-0.407) USER MOD Single : A 21 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.0092) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl -160:sc= -0.0232 (180deg=-0.286) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.132 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -5.93! C(o=-5.9!,f=-5.4!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.983 K(o=-0.98,f=-3.8!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0174 USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= -0.0324 (180deg=-0.218) USER MOD Single : A 67 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.69) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.014) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 21:sc= 0.4 USER MOD Single : A 90 HIS : no HE2:sc= -0.559 K(o=-0.56,f=-3!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= -0.0144 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.690 -24.680 -11.031 1.00 0.00 N ATOM 2 CA GLY A 1 18.445 -23.575 -10.123 1.00 0.00 C ATOM 3 C GLY A 1 16.972 -23.399 -9.809 1.00 0.00 C ATOM 4 O GLY A 1 16.338 -24.294 -9.251 1.00 0.00 O ATOM 0 H1 GLY A 1 19.711 -24.759 -11.214 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.346 -25.563 -10.604 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.189 -24.511 -11.927 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.994 -23.742 -9.196 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.832 -22.655 -10.562 1.00 0.00 H new ATOM 8 N SER A 2 16.427 -22.240 -10.167 1.00 0.00 N ATOM 9 CA SER A 2 15.021 -21.947 -9.915 1.00 0.00 C ATOM 10 C SER A 2 14.659 -22.231 -8.460 1.00 0.00 C ATOM 11 O SER A 2 13.600 -22.787 -8.169 1.00 0.00 O ATOM 12 CB SER A 2 14.131 -22.774 -10.844 1.00 0.00 C ATOM 13 OG SER A 2 12.819 -22.241 -10.902 1.00 0.00 O ATOM 0 H SER A 2 16.938 -21.489 -10.632 1.00 0.00 H new ATOM 0 HA SER A 2 14.855 -20.888 -10.113 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.563 -22.794 -11.844 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.093 -23.805 -10.493 1.00 0.00 H new ATOM 0 HG SER A 2 12.453 -22.172 -9.995 1.00 0.00 H new ATOM 19 N SER A 3 15.547 -21.844 -7.550 1.00 0.00 N ATOM 20 CA SER A 3 15.324 -22.060 -6.125 1.00 0.00 C ATOM 21 C SER A 3 15.100 -20.735 -5.403 1.00 0.00 C ATOM 22 O SER A 3 16.051 -20.049 -5.031 1.00 0.00 O ATOM 23 CB SER A 3 16.515 -22.795 -5.506 1.00 0.00 C ATOM 24 OG SER A 3 16.410 -22.838 -4.094 1.00 0.00 O ATOM 0 H SER A 3 16.427 -21.380 -7.774 1.00 0.00 H new ATOM 0 HA SER A 3 14.429 -22.672 -6.012 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.565 -23.810 -5.901 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.442 -22.296 -5.790 1.00 0.00 H new ATOM 0 HG SER A 3 17.182 -23.314 -3.723 1.00 0.00 H new ATOM 30 N GLY A 4 13.833 -20.381 -5.210 1.00 0.00 N ATOM 31 CA GLY A 4 13.505 -19.139 -4.534 1.00 0.00 C ATOM 32 C GLY A 4 12.996 -18.076 -5.488 1.00 0.00 C ATOM 33 O GLY A 4 13.047 -18.250 -6.705 1.00 0.00 O ATOM 0 H GLY A 4 13.028 -20.932 -5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.749 -19.332 -3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.389 -18.766 -4.017 1.00 0.00 H new ATOM 37 N SER A 5 12.503 -16.973 -4.934 1.00 0.00 N ATOM 38 CA SER A 5 11.977 -15.881 -5.744 1.00 0.00 C ATOM 39 C SER A 5 12.816 -14.619 -5.565 1.00 0.00 C ATOM 40 O SER A 5 13.673 -14.551 -4.684 1.00 0.00 O ATOM 41 CB SER A 5 10.521 -15.596 -5.371 1.00 0.00 C ATOM 42 OG SER A 5 10.439 -14.839 -4.176 1.00 0.00 O ATOM 0 H SER A 5 12.457 -16.812 -3.928 1.00 0.00 H new ATOM 0 HA SER A 5 12.024 -16.183 -6.790 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.034 -15.055 -6.182 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.983 -16.536 -5.247 1.00 0.00 H new ATOM 0 HG SER A 5 10.041 -13.964 -4.369 1.00 0.00 H new ATOM 48 N SER A 6 12.562 -13.622 -6.406 1.00 0.00 N ATOM 49 CA SER A 6 13.295 -12.364 -6.344 1.00 0.00 C ATOM 50 C SER A 6 13.342 -11.832 -4.915 1.00 0.00 C ATOM 51 O SER A 6 12.306 -11.636 -4.280 1.00 0.00 O ATOM 52 CB SER A 6 12.650 -11.327 -7.266 1.00 0.00 C ATOM 53 OG SER A 6 11.367 -10.953 -6.793 1.00 0.00 O ATOM 0 H SER A 6 11.854 -13.661 -7.139 1.00 0.00 H new ATOM 0 HA SER A 6 14.316 -12.550 -6.677 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.288 -10.446 -7.331 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.565 -11.734 -8.274 1.00 0.00 H new ATOM 0 HG SER A 6 11.361 -10.973 -5.813 1.00 0.00 H new ATOM 59 N GLY A 7 14.552 -11.600 -4.416 1.00 0.00 N ATOM 60 CA GLY A 7 14.712 -11.093 -3.065 1.00 0.00 C ATOM 61 C GLY A 7 15.037 -9.613 -3.036 1.00 0.00 C ATOM 62 O GLY A 7 16.188 -9.227 -2.833 1.00 0.00 O ATOM 0 H GLY A 7 15.424 -11.754 -4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.796 -11.272 -2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.507 -11.646 -2.564 1.00 0.00 H new ATOM 66 N MET A 8 14.021 -8.781 -3.242 1.00 0.00 N ATOM 67 CA MET A 8 14.205 -7.335 -3.238 1.00 0.00 C ATOM 68 C MET A 8 13.289 -6.672 -2.214 1.00 0.00 C ATOM 69 O MET A 8 12.199 -6.209 -2.550 1.00 0.00 O ATOM 70 CB MET A 8 13.932 -6.762 -4.630 1.00 0.00 C ATOM 71 CG MET A 8 14.666 -5.460 -4.906 1.00 0.00 C ATOM 72 SD MET A 8 16.424 -5.708 -5.225 1.00 0.00 S ATOM 73 CE MET A 8 16.878 -4.104 -5.880 1.00 0.00 C ATOM 0 H MET A 8 13.062 -9.084 -3.414 1.00 0.00 H new ATOM 0 HA MET A 8 15.239 -7.126 -2.962 1.00 0.00 H new ATOM 0 HB2 MET A 8 14.221 -7.498 -5.380 1.00 0.00 H new ATOM 0 HB3 MET A 8 12.861 -6.596 -4.742 1.00 0.00 H new ATOM 0 HG2 MET A 8 14.211 -4.966 -5.764 1.00 0.00 H new ATOM 0 HG3 MET A 8 14.546 -4.792 -4.053 1.00 0.00 H new ATOM 0 HE1 MET A 8 17.940 -4.099 -6.126 1.00 0.00 H new ATOM 0 HE2 MET A 8 16.296 -3.900 -6.779 1.00 0.00 H new ATOM 0 HE3 MET A 8 16.674 -3.336 -5.134 1.00 0.00 H new ATOM 83 N ALA A 9 13.738 -6.631 -0.964 1.00 0.00 N ATOM 84 CA ALA A 9 12.959 -6.024 0.108 1.00 0.00 C ATOM 85 C ALA A 9 13.640 -4.766 0.637 1.00 0.00 C ATOM 86 O ALA A 9 14.837 -4.564 0.432 1.00 0.00 O ATOM 87 CB ALA A 9 12.744 -7.023 1.235 1.00 0.00 C ATOM 0 H ALA A 9 14.637 -7.011 -0.669 1.00 0.00 H new ATOM 0 HA ALA A 9 11.989 -5.737 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.161 -6.556 2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.208 -7.892 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.709 -7.338 1.631 1.00 0.00 H new ATOM 93 N SER A 10 12.870 -3.923 1.317 1.00 0.00 N ATOM 94 CA SER A 10 13.398 -2.682 1.871 1.00 0.00 C ATOM 95 C SER A 10 13.901 -2.894 3.296 1.00 0.00 C ATOM 96 O SER A 10 13.294 -3.627 4.077 1.00 0.00 O ATOM 97 CB SER A 10 12.324 -1.593 1.854 1.00 0.00 C ATOM 98 OG SER A 10 11.183 -1.991 2.594 1.00 0.00 O ATOM 0 H SER A 10 11.878 -4.077 1.498 1.00 0.00 H new ATOM 0 HA SER A 10 14.237 -2.364 1.251 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.729 -0.672 2.272 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.037 -1.377 0.825 1.00 0.00 H new ATOM 0 HG SER A 10 10.512 -1.277 2.569 1.00 0.00 H new ATOM 104 N ASP A 11 15.013 -2.248 3.627 1.00 0.00 N ATOM 105 CA ASP A 11 15.598 -2.363 4.957 1.00 0.00 C ATOM 106 C ASP A 11 14.918 -1.409 5.935 1.00 0.00 C ATOM 107 O ASP A 11 15.581 -0.638 6.630 1.00 0.00 O ATOM 108 CB ASP A 11 17.099 -2.075 4.905 1.00 0.00 C ATOM 109 CG ASP A 11 17.866 -3.140 4.145 1.00 0.00 C ATOM 110 OD1 ASP A 11 17.409 -4.302 4.126 1.00 0.00 O ATOM 111 OD2 ASP A 11 18.924 -2.811 3.570 1.00 0.00 O ATOM 0 H ASP A 11 15.528 -1.638 2.992 1.00 0.00 H new ATOM 0 HA ASP A 11 15.444 -3.384 5.307 1.00 0.00 H new ATOM 0 HB2 ASP A 11 17.264 -1.106 4.434 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.488 -2.006 5.921 1.00 0.00 H new ATOM 116 N THR A 12 13.591 -1.465 5.982 1.00 0.00 N ATOM 117 CA THR A 12 12.821 -0.605 6.872 1.00 0.00 C ATOM 118 C THR A 12 11.534 -1.289 7.320 1.00 0.00 C ATOM 119 O THR A 12 10.829 -1.917 6.530 1.00 0.00 O ATOM 120 CB THR A 12 12.469 0.733 6.195 1.00 0.00 C ATOM 121 OG1 THR A 12 13.517 1.118 5.298 1.00 0.00 O ATOM 122 CG2 THR A 12 12.256 1.825 7.232 1.00 0.00 C ATOM 0 H THR A 12 13.027 -2.097 5.414 1.00 0.00 H new ATOM 0 HA THR A 12 13.447 -0.409 7.742 1.00 0.00 H new ATOM 0 HB THR A 12 11.543 0.600 5.636 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.285 1.969 4.870 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.009 2.760 6.730 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.439 1.542 7.896 1.00 0.00 H new ATOM 0 HG23 THR A 12 13.168 1.956 7.815 1.00 0.00 H new ATOM 130 N PRO A 13 11.217 -1.164 8.617 1.00 0.00 N ATOM 131 CA PRO A 13 10.012 -1.762 9.199 1.00 0.00 C ATOM 132 C PRO A 13 8.736 -1.077 8.721 1.00 0.00 C ATOM 133 O PRO A 13 7.630 -1.534 9.007 1.00 0.00 O ATOM 134 CB PRO A 13 10.201 -1.551 10.703 1.00 0.00 C ATOM 135 CG PRO A 13 11.097 -0.366 10.809 1.00 0.00 C ATOM 136 CD PRO A 13 12.011 -0.429 9.616 1.00 0.00 C ATOM 0 HA PRO A 13 9.898 -2.808 8.913 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.248 -1.372 11.201 1.00 0.00 H new ATOM 0 HB3 PRO A 13 10.647 -2.428 11.173 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.521 0.560 10.811 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.666 -0.389 11.738 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.280 0.566 9.263 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.942 -0.946 9.849 1.00 0.00 H new ATOM 144 N GLY A 14 8.898 0.022 7.990 1.00 0.00 N ATOM 145 CA GLY A 14 7.750 0.752 7.484 1.00 0.00 C ATOM 146 C GLY A 14 8.129 2.102 6.908 1.00 0.00 C ATOM 147 O GLY A 14 7.910 3.137 7.538 1.00 0.00 O ATOM 0 H GLY A 14 9.803 0.420 7.739 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.256 0.158 6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.029 0.893 8.290 1.00 0.00 H new ATOM 151 N PHE A 15 8.702 2.092 5.709 1.00 0.00 N ATOM 152 CA PHE A 15 9.115 3.325 5.049 1.00 0.00 C ATOM 153 C PHE A 15 7.950 3.952 4.289 1.00 0.00 C ATOM 154 O PHE A 15 7.648 5.134 4.459 1.00 0.00 O ATOM 155 CB PHE A 15 10.276 3.051 4.091 1.00 0.00 C ATOM 156 CG PHE A 15 11.040 4.286 3.707 1.00 0.00 C ATOM 157 CD1 PHE A 15 10.524 5.174 2.777 1.00 0.00 C ATOM 158 CD2 PHE A 15 12.275 4.557 4.274 1.00 0.00 C ATOM 159 CE1 PHE A 15 11.225 6.312 2.421 1.00 0.00 C ATOM 160 CE2 PHE A 15 12.979 5.693 3.923 1.00 0.00 C ATOM 161 CZ PHE A 15 12.454 6.571 2.994 1.00 0.00 C ATOM 0 H PHE A 15 8.891 1.244 5.175 1.00 0.00 H new ATOM 0 HA PHE A 15 9.444 4.026 5.816 1.00 0.00 H new ATOM 0 HB2 PHE A 15 10.960 2.340 4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.888 2.578 3.189 1.00 0.00 H new ATOM 0 HD1 PHE A 15 9.564 4.975 2.325 1.00 0.00 H new ATOM 0 HD2 PHE A 15 12.692 3.873 4.998 1.00 0.00 H new ATOM 0 HE1 PHE A 15 10.811 6.997 1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.939 5.895 4.375 1.00 0.00 H new ATOM 0 HZ PHE A 15 13.004 7.458 2.717 1.00 0.00 H new ATOM 171 N TYR A 16 7.300 3.153 3.451 1.00 0.00 N ATOM 172 CA TYR A 16 6.171 3.629 2.662 1.00 0.00 C ATOM 173 C TYR A 16 4.971 3.930 3.555 1.00 0.00 C ATOM 174 O TYR A 16 4.449 5.044 3.557 1.00 0.00 O ATOM 175 CB TYR A 16 5.787 2.592 1.605 1.00 0.00 C ATOM 176 CG TYR A 16 6.680 2.611 0.385 1.00 0.00 C ATOM 177 CD1 TYR A 16 6.893 3.784 -0.327 1.00 0.00 C ATOM 178 CD2 TYR A 16 7.313 1.454 -0.054 1.00 0.00 C ATOM 179 CE1 TYR A 16 7.708 3.805 -1.442 1.00 0.00 C ATOM 180 CE2 TYR A 16 8.131 1.466 -1.167 1.00 0.00 C ATOM 181 CZ TYR A 16 8.325 2.644 -1.858 1.00 0.00 C ATOM 182 OH TYR A 16 9.139 2.662 -2.967 1.00 0.00 O ATOM 0 H TYR A 16 7.536 2.172 3.301 1.00 0.00 H new ATOM 0 HA TYR A 16 6.471 4.551 2.164 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.820 1.599 2.054 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.757 2.767 1.294 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.413 4.696 -0.003 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.163 0.530 0.484 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.861 4.726 -1.985 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.616 0.558 -1.494 1.00 0.00 H new ATOM 0 HH TYR A 16 9.497 1.763 -3.125 1.00 0.00 H new ATOM 192 N MET A 17 4.539 2.927 4.313 1.00 0.00 N ATOM 193 CA MET A 17 3.402 3.084 5.212 1.00 0.00 C ATOM 194 C MET A 17 3.463 4.425 5.937 1.00 0.00 C ATOM 195 O MET A 17 2.447 5.101 6.097 1.00 0.00 O ATOM 196 CB MET A 17 3.368 1.942 6.230 1.00 0.00 C ATOM 197 CG MET A 17 2.769 0.657 5.681 1.00 0.00 C ATOM 198 SD MET A 17 3.126 -0.774 6.719 1.00 0.00 S ATOM 199 CE MET A 17 2.294 -0.309 8.235 1.00 0.00 C ATOM 0 H MET A 17 4.959 1.998 4.322 1.00 0.00 H new ATOM 0 HA MET A 17 2.491 3.055 4.614 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.383 1.742 6.574 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.793 2.259 7.100 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.689 0.774 5.589 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.157 0.479 4.678 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.317 -1.145 8.934 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.799 0.549 8.679 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.259 -0.047 8.016 1.00 0.00 H new ATOM 209 N ASP A 18 4.660 4.802 6.373 1.00 0.00 N ATOM 210 CA ASP A 18 4.853 6.063 7.080 1.00 0.00 C ATOM 211 C ASP A 18 4.565 7.249 6.165 1.00 0.00 C ATOM 212 O ASP A 18 4.022 8.265 6.600 1.00 0.00 O ATOM 213 CB ASP A 18 6.280 6.155 7.622 1.00 0.00 C ATOM 214 CG ASP A 18 6.446 5.432 8.944 1.00 0.00 C ATOM 215 OD1 ASP A 18 5.920 4.307 9.075 1.00 0.00 O ATOM 216 OD2 ASP A 18 7.102 5.991 9.847 1.00 0.00 O ATOM 0 H ASP A 18 5.511 4.253 6.249 1.00 0.00 H new ATOM 0 HA ASP A 18 4.153 6.094 7.915 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.971 5.733 6.892 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.550 7.203 7.748 1.00 0.00 H new ATOM 221 N LYS A 19 4.933 7.113 4.896 1.00 0.00 N ATOM 222 CA LYS A 19 4.715 8.172 3.918 1.00 0.00 C ATOM 223 C LYS A 19 3.224 8.423 3.710 1.00 0.00 C ATOM 224 O LYS A 19 2.789 9.568 3.583 1.00 0.00 O ATOM 225 CB LYS A 19 5.372 7.807 2.585 1.00 0.00 C ATOM 226 CG LYS A 19 6.885 7.698 2.662 1.00 0.00 C ATOM 227 CD LYS A 19 7.538 8.057 1.338 1.00 0.00 C ATOM 228 CE LYS A 19 7.455 6.906 0.346 1.00 0.00 C ATOM 229 NZ LYS A 19 8.402 7.084 -0.790 1.00 0.00 N ATOM 0 H LYS A 19 5.384 6.279 4.520 1.00 0.00 H new ATOM 0 HA LYS A 19 5.169 9.085 4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.965 6.858 2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.108 8.559 1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.259 8.359 3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.164 6.682 2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.051 8.937 0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.582 8.320 1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.674 5.969 0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.438 6.830 -0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.754 6.155 -1.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.911 7.547 -1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.202 7.675 -0.486 1.00 0.00 H new ATOM 243 N LEU A 20 2.447 7.346 3.679 1.00 0.00 N ATOM 244 CA LEU A 20 1.004 7.450 3.489 1.00 0.00 C ATOM 245 C LEU A 20 0.368 8.285 4.595 1.00 0.00 C ATOM 246 O LEU A 20 -0.346 9.250 4.325 1.00 0.00 O ATOM 247 CB LEU A 20 0.373 6.057 3.458 1.00 0.00 C ATOM 248 CG LEU A 20 0.384 5.344 2.105 1.00 0.00 C ATOM 249 CD1 LEU A 20 0.042 3.872 2.274 1.00 0.00 C ATOM 250 CD2 LEU A 20 -0.588 6.012 1.143 1.00 0.00 C ATOM 0 H LEU A 20 2.791 6.391 3.783 1.00 0.00 H new ATOM 0 HA LEU A 20 0.822 7.946 2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.893 5.429 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.661 6.141 3.793 1.00 0.00 H new ATOM 0 HG LEU A 20 1.388 5.417 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.055 3.381 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.776 3.401 2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.950 3.777 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.567 5.492 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.596 5.971 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.298 7.053 0.997 1.00 0.00 H new ATOM 262 N ASN A 21 0.633 7.907 5.841 1.00 0.00 N ATOM 263 CA ASN A 21 0.087 8.623 6.989 1.00 0.00 C ATOM 264 C ASN A 21 0.435 10.107 6.921 1.00 0.00 C ATOM 265 O ASN A 21 -0.396 10.965 7.220 1.00 0.00 O ATOM 266 CB ASN A 21 0.620 8.022 8.292 1.00 0.00 C ATOM 267 CG ASN A 21 0.557 9.001 9.448 1.00 0.00 C ATOM 268 OD1 ASN A 21 -0.470 9.124 10.116 1.00 0.00 O ATOM 269 ND2 ASN A 21 1.658 9.703 9.689 1.00 0.00 N ATOM 0 H ASN A 21 1.222 7.110 6.082 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.998 8.521 6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.042 7.132 8.541 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.652 7.702 8.146 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.676 10.377 10.454 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.486 9.568 9.109 1.00 0.00 H new ATOM 276 N LYS A 22 1.668 10.402 6.524 1.00 0.00 N ATOM 277 CA LYS A 22 2.127 11.782 6.413 1.00 0.00 C ATOM 278 C LYS A 22 1.308 12.546 5.378 1.00 0.00 C ATOM 279 O LYS A 22 1.240 13.775 5.410 1.00 0.00 O ATOM 280 CB LYS A 22 3.609 11.819 6.036 1.00 0.00 C ATOM 281 CG LYS A 22 4.543 11.794 7.233 1.00 0.00 C ATOM 282 CD LYS A 22 6.000 11.848 6.806 1.00 0.00 C ATOM 283 CE LYS A 22 6.936 11.694 7.995 1.00 0.00 C ATOM 284 NZ LYS A 22 8.303 12.202 7.694 1.00 0.00 N ATOM 0 H LYS A 22 2.368 9.704 6.274 1.00 0.00 H new ATOM 0 HA LYS A 22 1.993 12.263 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.833 10.967 5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.804 12.719 5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.323 12.639 7.885 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.367 10.889 7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.197 11.058 6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.199 12.796 6.306 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.528 12.233 8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.993 10.643 8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.911 12.079 8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.702 11.671 6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.252 13.211 7.448 1.00 0.00 H new ATOM 298 N TYR A 23 0.686 11.812 4.462 1.00 0.00 N ATOM 299 CA TYR A 23 -0.127 12.421 3.417 1.00 0.00 C ATOM 300 C TYR A 23 -1.598 12.456 3.822 1.00 0.00 C ATOM 301 O TYR A 23 -2.314 13.411 3.519 1.00 0.00 O ATOM 302 CB TYR A 23 0.033 11.653 2.104 1.00 0.00 C ATOM 303 CG TYR A 23 -0.921 12.101 1.020 1.00 0.00 C ATOM 304 CD1 TYR A 23 -2.212 11.593 0.950 1.00 0.00 C ATOM 305 CD2 TYR A 23 -0.531 13.033 0.066 1.00 0.00 C ATOM 306 CE1 TYR A 23 -3.087 11.999 -0.039 1.00 0.00 C ATOM 307 CE2 TYR A 23 -1.400 13.446 -0.925 1.00 0.00 C ATOM 308 CZ TYR A 23 -2.676 12.926 -0.975 1.00 0.00 C ATOM 309 OH TYR A 23 -3.545 13.334 -1.961 1.00 0.00 O ATOM 0 H TYR A 23 0.730 10.794 4.422 1.00 0.00 H new ATOM 0 HA TYR A 23 0.217 13.445 3.275 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.056 11.770 1.747 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.119 10.590 2.294 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.537 10.868 1.681 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.468 13.441 0.100 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.087 11.593 -0.079 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.081 14.173 -1.657 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.101 13.990 -2.538 1.00 0.00 H new ATOM 319 N ARG A 24 -2.041 11.408 4.509 1.00 0.00 N ATOM 320 CA ARG A 24 -3.425 11.318 4.957 1.00 0.00 C ATOM 321 C ARG A 24 -3.754 12.439 5.938 1.00 0.00 C ATOM 322 O ARG A 24 -4.869 12.961 5.948 1.00 0.00 O ATOM 323 CB ARG A 24 -3.684 9.960 5.611 1.00 0.00 C ATOM 324 CG ARG A 24 -3.463 9.956 7.115 1.00 0.00 C ATOM 325 CD ARG A 24 -3.892 8.638 7.738 1.00 0.00 C ATOM 326 NE ARG A 24 -3.973 8.721 9.194 1.00 0.00 N ATOM 327 CZ ARG A 24 -4.958 9.333 9.842 1.00 0.00 C ATOM 328 NH1 ARG A 24 -5.941 9.912 9.166 1.00 0.00 N ATOM 329 NH2 ARG A 24 -4.962 9.367 11.168 1.00 0.00 N ATOM 0 H ARG A 24 -1.461 10.610 4.767 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.070 11.422 4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.710 9.655 5.402 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.031 9.216 5.154 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.409 10.135 7.329 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.024 10.773 7.568 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.863 8.347 7.337 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.184 7.858 7.458 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.232 8.285 9.743 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.942 9.888 8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.696 10.381 9.666 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.208 8.923 11.692 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.719 9.837 11.664 1.00 0.00 H new ATOM 343 N GLN A 25 -2.777 12.802 6.762 1.00 0.00 N ATOM 344 CA GLN A 25 -2.963 13.860 7.748 1.00 0.00 C ATOM 345 C GLN A 25 -2.733 15.233 7.124 1.00 0.00 C ATOM 346 O GLN A 25 -3.164 16.251 7.665 1.00 0.00 O ATOM 347 CB GLN A 25 -2.014 13.658 8.930 1.00 0.00 C ATOM 348 CG GLN A 25 -0.615 14.202 8.686 1.00 0.00 C ATOM 349 CD GLN A 25 0.279 14.081 9.905 1.00 0.00 C ATOM 350 OE1 GLN A 25 0.707 12.985 10.269 1.00 0.00 O ATOM 351 NE2 GLN A 25 0.566 15.209 10.543 1.00 0.00 N ATOM 0 H GLN A 25 -1.849 12.379 6.767 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.992 13.812 8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.435 14.143 9.811 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.947 12.593 9.154 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.161 13.666 7.853 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.683 15.249 8.392 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.190 16.095 10.206 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.163 15.190 11.370 1.00 0.00 H new ATOM 360 N MET A 26 -2.051 15.252 5.984 1.00 0.00 N ATOM 361 CA MET A 26 -1.765 16.500 5.286 1.00 0.00 C ATOM 362 C MET A 26 -2.965 16.949 4.459 1.00 0.00 C ATOM 363 O MET A 26 -3.361 18.114 4.503 1.00 0.00 O ATOM 364 CB MET A 26 -0.541 16.335 4.382 1.00 0.00 C ATOM 365 CG MET A 26 0.773 16.665 5.071 1.00 0.00 C ATOM 366 SD MET A 26 1.232 18.400 4.896 1.00 0.00 S ATOM 367 CE MET A 26 1.722 18.448 3.174 1.00 0.00 C ATOM 0 H MET A 26 -1.686 14.418 5.524 1.00 0.00 H new ATOM 0 HA MET A 26 -1.555 17.265 6.034 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.503 15.308 4.019 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.655 16.977 3.509 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.695 16.419 6.130 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.564 16.040 4.655 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.351 19.321 2.999 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.279 17.544 2.929 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.834 18.509 2.545 1.00 0.00 H new ATOM 377 N HIS A 27 -3.541 16.017 3.706 1.00 0.00 N ATOM 378 CA HIS A 27 -4.697 16.318 2.869 1.00 0.00 C ATOM 379 C HIS A 27 -5.993 16.178 3.662 1.00 0.00 C ATOM 380 O HIS A 27 -6.927 16.959 3.487 1.00 0.00 O ATOM 381 CB HIS A 27 -4.728 15.391 1.653 1.00 0.00 C ATOM 382 CG HIS A 27 -3.782 15.799 0.566 1.00 0.00 C ATOM 383 ND1 HIS A 27 -4.202 16.259 -0.664 1.00 0.00 N ATOM 384 CD2 HIS A 27 -2.429 15.815 0.529 1.00 0.00 C ATOM 385 CE1 HIS A 27 -3.149 16.539 -1.411 1.00 0.00 C ATOM 386 NE2 HIS A 27 -2.060 16.278 -0.710 1.00 0.00 N ATOM 0 H HIS A 27 -3.226 15.048 3.658 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.609 17.350 2.528 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.486 14.377 1.973 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.741 15.365 1.251 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.763 15.519 1.326 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.174 16.917 -2.422 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -1.101 16.400 -1.036 1.00 0.00 H new ATOM 395 N GLY A 28 -6.042 15.176 4.536 1.00 0.00 N ATOM 396 CA GLY A 28 -7.228 14.952 5.342 1.00 0.00 C ATOM 397 C GLY A 28 -8.070 13.802 4.827 1.00 0.00 C ATOM 398 O GLY A 28 -9.294 13.908 4.743 1.00 0.00 O ATOM 0 H GLY A 28 -5.282 14.516 4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.931 14.749 6.371 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.830 15.861 5.358 1.00 0.00 H new ATOM 402 N VAL A 29 -7.414 12.700 4.478 1.00 0.00 N ATOM 403 CA VAL A 29 -8.111 11.525 3.968 1.00 0.00 C ATOM 404 C VAL A 29 -8.092 10.390 4.986 1.00 0.00 C ATOM 405 O VAL A 29 -7.431 10.480 6.020 1.00 0.00 O ATOM 406 CB VAL A 29 -7.484 11.029 2.651 1.00 0.00 C ATOM 407 CG1 VAL A 29 -7.720 12.036 1.535 1.00 0.00 C ATOM 408 CG2 VAL A 29 -5.998 10.764 2.835 1.00 0.00 C ATOM 0 H VAL A 29 -6.401 12.596 4.539 1.00 0.00 H new ATOM 0 HA VAL A 29 -9.142 11.824 3.781 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.965 10.092 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.270 11.669 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.791 12.171 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.268 12.990 1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.572 10.414 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.499 11.684 3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.856 10.003 3.603 1.00 0.00 H new ATOM 418 N ALA A 30 -8.822 9.321 4.685 1.00 0.00 N ATOM 419 CA ALA A 30 -8.888 8.167 5.572 1.00 0.00 C ATOM 420 C ALA A 30 -8.270 6.936 4.918 1.00 0.00 C ATOM 421 O ALA A 30 -8.796 6.413 3.936 1.00 0.00 O ATOM 422 CB ALA A 30 -10.330 7.887 5.969 1.00 0.00 C ATOM 0 H ALA A 30 -9.376 9.231 3.833 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.314 8.397 6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.364 7.022 6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.741 8.755 6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.920 7.683 5.076 1.00 0.00 H new ATOM 428 N ILE A 31 -7.150 6.479 5.468 1.00 0.00 N ATOM 429 CA ILE A 31 -6.460 5.309 4.938 1.00 0.00 C ATOM 430 C ILE A 31 -6.789 4.062 5.752 1.00 0.00 C ATOM 431 O ILE A 31 -6.689 4.063 6.979 1.00 0.00 O ATOM 432 CB ILE A 31 -4.934 5.513 4.925 1.00 0.00 C ATOM 433 CG1 ILE A 31 -4.580 6.835 4.241 1.00 0.00 C ATOM 434 CG2 ILE A 31 -4.250 4.349 4.225 1.00 0.00 C ATOM 435 CD1 ILE A 31 -3.108 6.974 3.920 1.00 0.00 C ATOM 0 H ILE A 31 -6.701 6.901 6.281 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.808 5.174 3.914 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.579 5.552 5.955 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.155 6.923 3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.883 7.661 4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.172 4.508 4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.480 3.422 4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.608 4.281 3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.930 7.935 3.437 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.528 6.918 4.841 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.804 6.169 3.251 1.00 0.00 H new ATOM 447 N THR A 32 -7.179 2.996 5.059 1.00 0.00 N ATOM 448 CA THR A 32 -7.521 1.741 5.716 1.00 0.00 C ATOM 449 C THR A 32 -6.792 0.567 5.073 1.00 0.00 C ATOM 450 O THR A 32 -6.841 0.385 3.856 1.00 0.00 O ATOM 451 CB THR A 32 -9.038 1.478 5.669 1.00 0.00 C ATOM 452 OG1 THR A 32 -9.710 2.308 6.622 1.00 0.00 O ATOM 453 CG2 THR A 32 -9.343 0.016 5.959 1.00 0.00 C ATOM 0 H THR A 32 -7.266 2.977 4.043 1.00 0.00 H new ATOM 0 HA THR A 32 -7.208 1.833 6.756 1.00 0.00 H new ATOM 0 HB THR A 32 -9.394 1.716 4.667 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.674 2.135 6.584 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.420 -0.146 5.920 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.855 -0.612 5.214 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.973 -0.243 6.951 1.00 0.00 H new ATOM 461 N TYR A 33 -6.119 -0.228 5.897 1.00 0.00 N ATOM 462 CA TYR A 33 -5.378 -1.384 5.407 1.00 0.00 C ATOM 463 C TYR A 33 -6.197 -2.662 5.564 1.00 0.00 C ATOM 464 O TYR A 33 -6.327 -3.200 6.664 1.00 0.00 O ATOM 465 CB TYR A 33 -4.051 -1.521 6.156 1.00 0.00 C ATOM 466 CG TYR A 33 -3.116 -0.351 5.948 1.00 0.00 C ATOM 467 CD1 TYR A 33 -3.426 0.908 6.447 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.923 -0.504 5.253 1.00 0.00 C ATOM 469 CE1 TYR A 33 -2.575 1.980 6.260 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.065 0.562 5.062 1.00 0.00 C ATOM 471 CZ TYR A 33 -1.396 1.802 5.567 1.00 0.00 C ATOM 472 OH TYR A 33 -0.545 2.867 5.378 1.00 0.00 O ATOM 0 H TYR A 33 -6.071 -0.093 6.907 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.175 -1.231 4.347 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.254 -1.628 7.222 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.553 -2.435 5.833 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.348 1.051 6.991 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.662 -1.473 4.855 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.832 2.952 6.654 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.141 0.425 4.520 1.00 0.00 H new ATOM 0 HH TYR A 33 0.240 2.572 4.872 1.00 0.00 H new ATOM 482 N LYS A 34 -6.747 -3.144 4.454 1.00 0.00 N ATOM 483 CA LYS A 34 -7.552 -4.359 4.465 1.00 0.00 C ATOM 484 C LYS A 34 -6.668 -5.599 4.379 1.00 0.00 C ATOM 485 O LYS A 34 -5.769 -5.673 3.542 1.00 0.00 O ATOM 486 CB LYS A 34 -8.547 -4.347 3.302 1.00 0.00 C ATOM 487 CG LYS A 34 -9.740 -5.264 3.511 1.00 0.00 C ATOM 488 CD LYS A 34 -10.972 -4.749 2.786 1.00 0.00 C ATOM 489 CE LYS A 34 -11.887 -5.889 2.365 1.00 0.00 C ATOM 490 NZ LYS A 34 -12.816 -6.288 3.459 1.00 0.00 N ATOM 0 H LYS A 34 -6.650 -2.711 3.536 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.102 -4.392 5.405 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.905 -3.328 3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.029 -4.641 2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.498 -6.265 3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.953 -5.349 4.577 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.517 -4.064 3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.668 -4.181 1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.464 -5.588 1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.285 -6.748 2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.422 -7.067 3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.266 -6.600 4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.409 -5.476 3.724 1.00 0.00 H new ATOM 504 N GLU A 35 -6.930 -6.570 5.248 1.00 0.00 N ATOM 505 CA GLU A 35 -6.157 -7.806 5.268 1.00 0.00 C ATOM 506 C GLU A 35 -6.768 -8.845 4.331 1.00 0.00 C ATOM 507 O GLU A 35 -7.905 -9.278 4.523 1.00 0.00 O ATOM 508 CB GLU A 35 -6.085 -8.366 6.690 1.00 0.00 C ATOM 509 CG GLU A 35 -5.538 -9.782 6.760 1.00 0.00 C ATOM 510 CD GLU A 35 -5.827 -10.453 8.089 1.00 0.00 C ATOM 511 OE1 GLU A 35 -6.114 -9.733 9.067 1.00 0.00 O ATOM 512 OE2 GLU A 35 -5.766 -11.699 8.150 1.00 0.00 O ATOM 0 H GLU A 35 -7.671 -6.525 5.947 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.148 -7.579 4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.458 -7.713 7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.082 -8.349 7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.972 -10.376 5.955 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.461 -9.760 6.595 1.00 0.00 H new ATOM 519 N LEU A 36 -6.005 -9.239 3.318 1.00 0.00 N ATOM 520 CA LEU A 36 -6.470 -10.227 2.350 1.00 0.00 C ATOM 521 C LEU A 36 -6.026 -11.631 2.748 1.00 0.00 C ATOM 522 O LEU A 36 -5.269 -11.806 3.703 1.00 0.00 O ATOM 523 CB LEU A 36 -5.942 -9.889 0.954 1.00 0.00 C ATOM 524 CG LEU A 36 -6.078 -8.430 0.520 1.00 0.00 C ATOM 525 CD1 LEU A 36 -5.750 -8.280 -0.958 1.00 0.00 C ATOM 526 CD2 LEU A 36 -7.479 -7.914 0.813 1.00 0.00 C ATOM 0 H LEU A 36 -5.062 -8.890 3.145 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.560 -10.201 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.888 -10.163 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.465 -10.513 0.229 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.367 -7.833 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.852 -7.235 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.727 -8.609 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.436 -8.889 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.557 -6.874 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.209 -8.514 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.676 -7.984 1.883 1.00 0.00 H new ATOM 538 N SER A 37 -6.500 -12.628 2.009 1.00 0.00 N ATOM 539 CA SER A 37 -6.154 -14.017 2.286 1.00 0.00 C ATOM 540 C SER A 37 -4.725 -14.319 1.843 1.00 0.00 C ATOM 541 O SER A 37 -4.062 -13.482 1.229 1.00 0.00 O ATOM 542 CB SER A 37 -7.129 -14.959 1.578 1.00 0.00 C ATOM 543 OG SER A 37 -6.923 -16.302 1.979 1.00 0.00 O ATOM 0 H SER A 37 -7.125 -12.500 1.213 1.00 0.00 H new ATOM 0 HA SER A 37 -6.224 -14.175 3.362 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.154 -14.662 1.802 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.002 -14.875 0.499 1.00 0.00 H new ATOM 0 HG SER A 37 -7.560 -16.884 1.514 1.00 0.00 H new ATOM 549 N THR A 38 -4.256 -15.522 2.160 1.00 0.00 N ATOM 550 CA THR A 38 -2.907 -15.936 1.797 1.00 0.00 C ATOM 551 C THR A 38 -2.910 -16.755 0.511 1.00 0.00 C ATOM 552 O THR A 38 -3.750 -17.635 0.327 1.00 0.00 O ATOM 553 CB THR A 38 -2.253 -16.765 2.919 1.00 0.00 C ATOM 554 OG1 THR A 38 -2.363 -16.073 4.167 1.00 0.00 O ATOM 555 CG2 THR A 38 -0.787 -17.033 2.609 1.00 0.00 C ATOM 0 H THR A 38 -4.791 -16.227 2.668 1.00 0.00 H new ATOM 0 HA THR A 38 -2.328 -15.026 1.643 1.00 0.00 H new ATOM 0 HB THR A 38 -2.774 -17.720 2.987 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.946 -16.607 4.875 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.346 -17.620 3.415 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.708 -17.586 1.673 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.255 -16.086 2.517 1.00 0.00 H new ATOM 563 N SER A 39 -1.964 -16.459 -0.375 1.00 0.00 N ATOM 564 CA SER A 39 -1.860 -17.167 -1.646 1.00 0.00 C ATOM 565 C SER A 39 -0.421 -17.596 -1.912 1.00 0.00 C ATOM 566 O SER A 39 0.484 -16.766 -1.978 1.00 0.00 O ATOM 567 CB SER A 39 -2.360 -16.282 -2.789 1.00 0.00 C ATOM 568 OG SER A 39 -3.774 -16.322 -2.885 1.00 0.00 O ATOM 0 H SER A 39 -1.259 -15.735 -0.236 1.00 0.00 H new ATOM 0 HA SER A 39 -2.482 -18.060 -1.589 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.032 -15.255 -2.628 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.919 -16.613 -3.729 1.00 0.00 H new ATOM 0 HG SER A 39 -4.068 -15.747 -3.622 1.00 0.00 H new ATOM 574 N GLY A 40 -0.218 -18.902 -2.065 1.00 0.00 N ATOM 575 CA GLY A 40 1.113 -19.420 -2.322 1.00 0.00 C ATOM 576 C GLY A 40 1.260 -20.871 -1.907 1.00 0.00 C ATOM 577 O GLY A 40 0.281 -21.559 -1.619 1.00 0.00 O ATOM 0 H GLY A 40 -0.951 -19.609 -2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.338 -19.324 -3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.845 -18.816 -1.786 1.00 0.00 H new ATOM 581 N PRO A 41 2.510 -21.357 -1.875 1.00 0.00 N ATOM 582 CA PRO A 41 2.811 -22.740 -1.495 1.00 0.00 C ATOM 583 C PRO A 41 2.566 -23.001 -0.012 1.00 0.00 C ATOM 584 O PRO A 41 2.358 -22.080 0.778 1.00 0.00 O ATOM 585 CB PRO A 41 4.299 -22.882 -1.824 1.00 0.00 C ATOM 586 CG PRO A 41 4.838 -21.495 -1.749 1.00 0.00 C ATOM 587 CD PRO A 41 3.725 -20.594 -2.206 1.00 0.00 C ATOM 0 HA PRO A 41 2.174 -23.454 -2.018 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.800 -23.540 -1.114 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.446 -23.311 -2.815 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.146 -21.250 -0.732 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.717 -21.383 -2.384 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.749 -19.633 -1.691 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.790 -20.385 -3.274 1.00 0.00 H new ATOM 595 N PRO A 42 2.591 -24.284 0.376 1.00 0.00 N ATOM 596 CA PRO A 42 2.375 -24.695 1.767 1.00 0.00 C ATOM 597 C PRO A 42 3.532 -24.295 2.676 1.00 0.00 C ATOM 598 O PRO A 42 3.325 -23.723 3.746 1.00 0.00 O ATOM 599 CB PRO A 42 2.270 -26.219 1.674 1.00 0.00 C ATOM 600 CG PRO A 42 3.030 -26.577 0.444 1.00 0.00 C ATOM 601 CD PRO A 42 2.834 -25.433 -0.512 1.00 0.00 C ATOM 0 HA PRO A 42 1.496 -24.219 2.201 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.695 -26.700 2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.231 -26.541 1.605 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.087 -26.722 0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.663 -27.510 0.016 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.712 -25.278 -1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.992 -25.609 -1.181 1.00 0.00 H new ATOM 609 N HIS A 43 4.752 -24.600 2.243 1.00 0.00 N ATOM 610 CA HIS A 43 5.942 -24.271 3.018 1.00 0.00 C ATOM 611 C HIS A 43 6.050 -22.765 3.237 1.00 0.00 C ATOM 612 O HIS A 43 6.220 -22.302 4.365 1.00 0.00 O ATOM 613 CB HIS A 43 7.196 -24.786 2.310 1.00 0.00 C ATOM 614 CG HIS A 43 7.484 -24.086 1.018 1.00 0.00 C ATOM 615 ND1 HIS A 43 6.792 -24.341 -0.147 1.00 0.00 N ATOM 616 CD2 HIS A 43 8.395 -23.132 0.711 1.00 0.00 C ATOM 617 CE1 HIS A 43 7.266 -23.577 -1.115 1.00 0.00 C ATOM 618 NE2 HIS A 43 8.239 -22.833 -0.620 1.00 0.00 N ATOM 0 H HIS A 43 4.941 -25.074 1.360 1.00 0.00 H new ATOM 0 HA HIS A 43 5.857 -24.756 3.990 1.00 0.00 H new ATOM 0 HB2 HIS A 43 8.052 -24.671 2.975 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.083 -25.853 2.118 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.111 -22.689 1.387 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.917 -23.563 -2.137 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.786 -22.148 -1.142 1.00 0.00 H new ATOM 627 N ASP A 44 5.949 -22.006 2.151 1.00 0.00 N ATOM 628 CA ASP A 44 6.035 -20.552 2.224 1.00 0.00 C ATOM 629 C ASP A 44 4.673 -19.914 1.968 1.00 0.00 C ATOM 630 O ASP A 44 4.121 -20.024 0.873 1.00 0.00 O ATOM 631 CB ASP A 44 7.055 -20.028 1.212 1.00 0.00 C ATOM 632 CG ASP A 44 7.720 -18.745 1.671 1.00 0.00 C ATOM 633 OD1 ASP A 44 7.081 -17.677 1.570 1.00 0.00 O ATOM 634 OD2 ASP A 44 8.880 -18.810 2.131 1.00 0.00 O ATOM 0 H ASP A 44 5.808 -22.373 1.210 1.00 0.00 H new ATOM 0 HA ASP A 44 6.360 -20.282 3.229 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.817 -20.788 1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.559 -19.855 0.257 1.00 0.00 H new ATOM 639 N ARG A 45 4.136 -19.248 2.985 1.00 0.00 N ATOM 640 CA ARG A 45 2.838 -18.595 2.871 1.00 0.00 C ATOM 641 C ARG A 45 3.002 -17.092 2.663 1.00 0.00 C ATOM 642 O ARG A 45 3.560 -16.395 3.511 1.00 0.00 O ATOM 643 CB ARG A 45 1.999 -18.858 4.123 1.00 0.00 C ATOM 644 CG ARG A 45 1.352 -20.233 4.144 1.00 0.00 C ATOM 645 CD ARG A 45 0.108 -20.277 3.270 1.00 0.00 C ATOM 646 NE ARG A 45 -0.267 -21.644 2.919 1.00 0.00 N ATOM 647 CZ ARG A 45 -0.985 -22.435 3.708 1.00 0.00 C ATOM 648 NH1 ARG A 45 -1.405 -21.997 4.886 1.00 0.00 N ATOM 649 NH2 ARG A 45 -1.286 -23.667 3.317 1.00 0.00 N ATOM 0 H ARG A 45 4.580 -19.147 3.898 1.00 0.00 H new ATOM 0 HA ARG A 45 2.325 -19.011 2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.632 -18.750 5.004 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.221 -18.098 4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.068 -20.978 3.798 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.088 -20.496 5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.719 -19.797 3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.284 -19.704 2.359 1.00 0.00 H new ATOM 0 HE ARG A 45 0.039 -22.012 2.018 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.177 -21.050 5.189 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.956 -22.607 5.490 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.966 -24.007 2.410 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.837 -24.274 3.923 1.00 0.00 H new ATOM 663 N ARG A 46 2.512 -16.600 1.530 1.00 0.00 N ATOM 664 CA ARG A 46 2.606 -15.181 1.209 1.00 0.00 C ATOM 665 C ARG A 46 1.331 -14.447 1.612 1.00 0.00 C ATOM 666 O ARG A 46 0.244 -14.755 1.122 1.00 0.00 O ATOM 667 CB ARG A 46 2.866 -14.990 -0.286 1.00 0.00 C ATOM 668 CG ARG A 46 4.285 -15.337 -0.707 1.00 0.00 C ATOM 669 CD ARG A 46 5.209 -14.134 -0.595 1.00 0.00 C ATOM 670 NE ARG A 46 6.581 -14.461 -0.977 1.00 0.00 N ATOM 671 CZ ARG A 46 7.004 -14.497 -2.236 1.00 0.00 C ATOM 672 NH1 ARG A 46 6.167 -14.229 -3.228 1.00 0.00 N ATOM 673 NH2 ARG A 46 8.267 -14.802 -2.504 1.00 0.00 N ATOM 0 H ARG A 46 2.046 -17.163 0.819 1.00 0.00 H new ATOM 0 HA ARG A 46 3.440 -14.762 1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.167 -15.608 -0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.660 -13.953 -0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.663 -16.147 -0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.282 -15.701 -1.735 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.837 -13.331 -1.231 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.197 -13.761 0.429 1.00 0.00 H new ATOM 0 HE ARG A 46 7.250 -14.673 -0.237 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.195 -13.994 -3.026 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.495 -14.257 -4.194 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.914 -15.009 -1.743 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.591 -14.829 -3.471 1.00 0.00 H new ATOM 687 N PHE A 47 1.471 -13.476 2.508 1.00 0.00 N ATOM 688 CA PHE A 47 0.330 -12.699 2.979 1.00 0.00 C ATOM 689 C PHE A 47 0.098 -11.480 2.090 1.00 0.00 C ATOM 690 O PHE A 47 1.003 -10.672 1.876 1.00 0.00 O ATOM 691 CB PHE A 47 0.550 -12.255 4.426 1.00 0.00 C ATOM 692 CG PHE A 47 1.031 -13.358 5.325 1.00 0.00 C ATOM 693 CD1 PHE A 47 0.219 -14.446 5.603 1.00 0.00 C ATOM 694 CD2 PHE A 47 2.293 -13.306 5.894 1.00 0.00 C ATOM 695 CE1 PHE A 47 0.658 -15.463 6.429 1.00 0.00 C ATOM 696 CE2 PHE A 47 2.737 -14.320 6.721 1.00 0.00 C ATOM 697 CZ PHE A 47 1.919 -15.399 6.990 1.00 0.00 C ATOM 0 H PHE A 47 2.363 -13.208 2.923 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.554 -13.334 2.932 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.276 -11.442 4.442 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.384 -11.856 4.821 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.768 -14.500 5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.937 -12.464 5.689 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.016 -16.307 6.636 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.724 -14.268 7.157 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.264 -16.191 7.638 1.00 0.00 H new ATOM 707 N THR A 48 -1.120 -11.355 1.574 1.00 0.00 N ATOM 708 CA THR A 48 -1.472 -10.237 0.708 1.00 0.00 C ATOM 709 C THR A 48 -2.155 -9.125 1.495 1.00 0.00 C ATOM 710 O THR A 48 -2.917 -9.387 2.426 1.00 0.00 O ATOM 711 CB THR A 48 -2.399 -10.684 -0.438 1.00 0.00 C ATOM 712 OG1 THR A 48 -1.817 -11.791 -1.135 1.00 0.00 O ATOM 713 CG2 THR A 48 -2.649 -9.541 -1.410 1.00 0.00 C ATOM 0 H THR A 48 -1.880 -12.015 1.741 1.00 0.00 H new ATOM 0 HA THR A 48 -0.541 -9.860 0.286 1.00 0.00 H new ATOM 0 HB THR A 48 -3.353 -10.987 -0.006 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.413 -12.070 -1.861 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.306 -9.881 -2.210 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.119 -8.711 -0.882 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.701 -9.211 -1.835 1.00 0.00 H new ATOM 721 N PHE A 49 -1.879 -7.881 1.115 1.00 0.00 N ATOM 722 CA PHE A 49 -2.468 -6.728 1.787 1.00 0.00 C ATOM 723 C PHE A 49 -2.809 -5.631 0.783 1.00 0.00 C ATOM 724 O PHE A 49 -2.291 -5.614 -0.333 1.00 0.00 O ATOM 725 CB PHE A 49 -1.509 -6.185 2.848 1.00 0.00 C ATOM 726 CG PHE A 49 -1.700 -6.806 4.202 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.157 -8.047 4.492 1.00 0.00 C ATOM 728 CD2 PHE A 49 -2.420 -6.148 5.185 1.00 0.00 C ATOM 729 CE1 PHE A 49 -1.331 -8.621 5.737 1.00 0.00 C ATOM 730 CE2 PHE A 49 -2.598 -6.716 6.433 1.00 0.00 C ATOM 731 CZ PHE A 49 -2.052 -7.954 6.709 1.00 0.00 C ATOM 0 H PHE A 49 -1.252 -7.646 0.346 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.389 -7.052 2.272 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.483 -6.355 2.520 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.643 -5.106 2.930 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.591 -8.572 3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.848 -5.179 4.974 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.904 -9.590 5.950 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.163 -6.193 7.190 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.188 -8.400 7.683 1.00 0.00 H new ATOM 741 N GLN A 50 -3.685 -4.717 1.190 1.00 0.00 N ATOM 742 CA GLN A 50 -4.096 -3.617 0.326 1.00 0.00 C ATOM 743 C GLN A 50 -4.518 -2.405 1.151 1.00 0.00 C ATOM 744 O GLN A 50 -5.022 -2.545 2.266 1.00 0.00 O ATOM 745 CB GLN A 50 -5.247 -4.056 -0.582 1.00 0.00 C ATOM 746 CG GLN A 50 -6.622 -3.814 0.020 1.00 0.00 C ATOM 747 CD GLN A 50 -7.746 -4.240 -0.904 1.00 0.00 C ATOM 748 OE1 GLN A 50 -8.487 -5.177 -0.608 1.00 0.00 O ATOM 749 NE2 GLN A 50 -7.878 -3.552 -2.033 1.00 0.00 N ATOM 0 H GLN A 50 -4.123 -4.717 2.111 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.243 -3.335 -0.291 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.175 -3.522 -1.530 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.139 -5.117 -0.805 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.704 -4.359 0.961 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.731 -2.755 0.254 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.241 -2.782 -2.238 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.616 -3.794 -2.694 1.00 0.00 H new ATOM 758 N VAL A 51 -4.308 -1.215 0.597 1.00 0.00 N ATOM 759 CA VAL A 51 -4.667 0.021 1.281 1.00 0.00 C ATOM 760 C VAL A 51 -5.860 0.693 0.612 1.00 0.00 C ATOM 761 O VAL A 51 -6.101 0.510 -0.582 1.00 0.00 O ATOM 762 CB VAL A 51 -3.485 1.009 1.311 1.00 0.00 C ATOM 763 CG1 VAL A 51 -3.892 2.307 1.992 1.00 0.00 C ATOM 764 CG2 VAL A 51 -2.286 0.384 2.009 1.00 0.00 C ATOM 0 H VAL A 51 -3.891 -1.081 -0.324 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.932 -0.248 2.303 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.199 1.239 0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.045 2.993 2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.719 2.761 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.205 2.099 3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.460 1.096 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.556 0.124 3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.982 -0.516 1.474 1.00 0.00 H new ATOM 774 N LEU A 52 -6.605 1.473 1.388 1.00 0.00 N ATOM 775 CA LEU A 52 -7.774 2.174 0.870 1.00 0.00 C ATOM 776 C LEU A 52 -7.751 3.645 1.276 1.00 0.00 C ATOM 777 O LEU A 52 -7.917 3.978 2.449 1.00 0.00 O ATOM 778 CB LEU A 52 -9.056 1.513 1.380 1.00 0.00 C ATOM 779 CG LEU A 52 -9.398 0.153 0.771 1.00 0.00 C ATOM 780 CD1 LEU A 52 -8.792 -0.970 1.598 1.00 0.00 C ATOM 781 CD2 LEU A 52 -10.906 -0.018 0.660 1.00 0.00 C ATOM 0 H LEU A 52 -6.420 1.636 2.378 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.750 2.116 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.975 1.395 2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.889 2.191 1.195 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.973 0.108 -0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.046 -1.930 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.708 -0.858 1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.187 -0.928 2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.131 -0.992 0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.354 0.048 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.315 0.767 0.024 1.00 0.00 H new ATOM 793 N ILE A 53 -7.546 4.520 0.297 1.00 0.00 N ATOM 794 CA ILE A 53 -7.504 5.954 0.552 1.00 0.00 C ATOM 795 C ILE A 53 -8.681 6.664 -0.110 1.00 0.00 C ATOM 796 O ILE A 53 -8.965 6.450 -1.288 1.00 0.00 O ATOM 797 CB ILE A 53 -6.191 6.578 0.044 1.00 0.00 C ATOM 798 CG1 ILE A 53 -4.990 5.783 0.560 1.00 0.00 C ATOM 799 CG2 ILE A 53 -6.095 8.034 0.476 1.00 0.00 C ATOM 800 CD1 ILE A 53 -3.799 5.814 -0.372 1.00 0.00 C ATOM 0 H ILE A 53 -7.406 4.261 -0.680 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.564 6.085 1.632 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.186 6.541 -1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.692 6.180 1.531 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.291 4.747 0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.162 8.461 0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.936 8.592 0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.118 8.093 1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.985 5.230 0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.080 5.390 -1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.472 6.845 -0.510 1.00 0.00 H new ATOM 812 N ASP A 54 -9.360 7.511 0.656 1.00 0.00 N ATOM 813 CA ASP A 54 -10.504 8.256 0.143 1.00 0.00 C ATOM 814 C ASP A 54 -11.535 7.314 -0.471 1.00 0.00 C ATOM 815 O ASP A 54 -12.073 7.583 -1.544 1.00 0.00 O ATOM 816 CB ASP A 54 -10.048 9.281 -0.896 1.00 0.00 C ATOM 817 CG ASP A 54 -11.011 10.446 -1.021 1.00 0.00 C ATOM 818 OD1 ASP A 54 -12.223 10.198 -1.191 1.00 0.00 O ATOM 819 OD2 ASP A 54 -10.552 11.606 -0.949 1.00 0.00 O ATOM 0 H ASP A 54 -9.138 7.699 1.634 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.969 8.780 0.978 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.062 9.656 -0.623 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.946 8.792 -1.865 1.00 0.00 H new ATOM 824 N GLU A 55 -11.802 6.208 0.216 1.00 0.00 N ATOM 825 CA GLU A 55 -12.767 5.226 -0.264 1.00 0.00 C ATOM 826 C GLU A 55 -12.315 4.623 -1.591 1.00 0.00 C ATOM 827 O GLU A 55 -13.131 4.149 -2.381 1.00 0.00 O ATOM 828 CB GLU A 55 -14.146 5.869 -0.426 1.00 0.00 C ATOM 829 CG GLU A 55 -14.751 6.350 0.881 1.00 0.00 C ATOM 830 CD GLU A 55 -15.476 5.248 1.629 1.00 0.00 C ATOM 831 OE1 GLU A 55 -14.795 4.346 2.161 1.00 0.00 O ATOM 832 OE2 GLU A 55 -16.722 5.287 1.683 1.00 0.00 O ATOM 0 H GLU A 55 -11.364 5.970 1.106 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.832 4.427 0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.066 6.713 -1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.822 5.148 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.962 6.756 1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.447 7.164 0.677 1.00 0.00 H new ATOM 839 N LYS A 56 -11.008 4.645 -1.829 1.00 0.00 N ATOM 840 CA LYS A 56 -10.445 4.101 -3.059 1.00 0.00 C ATOM 841 C LYS A 56 -9.825 2.729 -2.813 1.00 0.00 C ATOM 842 O LYS A 56 -9.285 2.465 -1.739 1.00 0.00 O ATOM 843 CB LYS A 56 -9.390 5.054 -3.627 1.00 0.00 C ATOM 844 CG LYS A 56 -9.003 4.746 -5.063 1.00 0.00 C ATOM 845 CD LYS A 56 -8.003 5.757 -5.599 1.00 0.00 C ATOM 846 CE LYS A 56 -7.121 5.149 -6.679 1.00 0.00 C ATOM 847 NZ LYS A 56 -7.897 4.809 -7.903 1.00 0.00 N ATOM 0 H LYS A 56 -10.318 5.034 -1.186 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.254 3.991 -3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.768 6.075 -3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.498 5.010 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.576 3.745 -5.119 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.895 4.747 -5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.535 6.617 -6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.381 6.123 -4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.326 5.850 -6.936 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.641 4.250 -6.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.260 4.397 -8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.639 4.121 -7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.335 5.671 -8.287 1.00 0.00 H new ATOM 861 N GLU A 57 -9.907 1.859 -3.816 1.00 0.00 N ATOM 862 CA GLU A 57 -9.353 0.515 -3.707 1.00 0.00 C ATOM 863 C GLU A 57 -8.027 0.410 -4.455 1.00 0.00 C ATOM 864 O GLU A 57 -7.993 0.425 -5.686 1.00 0.00 O ATOM 865 CB GLU A 57 -10.343 -0.514 -4.256 1.00 0.00 C ATOM 866 CG GLU A 57 -11.302 -1.055 -3.208 1.00 0.00 C ATOM 867 CD GLU A 57 -12.045 -2.290 -3.679 1.00 0.00 C ATOM 868 OE1 GLU A 57 -12.520 -2.293 -4.834 1.00 0.00 O ATOM 869 OE2 GLU A 57 -12.152 -3.253 -2.892 1.00 0.00 O ATOM 0 H GLU A 57 -10.351 2.061 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.172 0.309 -2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.918 -0.058 -5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.787 -1.345 -4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.746 -1.294 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.022 -0.280 -2.946 1.00 0.00 H new ATOM 876 N PHE A 58 -6.936 0.306 -3.703 1.00 0.00 N ATOM 877 CA PHE A 58 -5.607 0.201 -4.294 1.00 0.00 C ATOM 878 C PHE A 58 -5.242 -1.258 -4.555 1.00 0.00 C ATOM 879 O PHE A 58 -5.794 -2.180 -3.954 1.00 0.00 O ATOM 880 CB PHE A 58 -4.565 0.842 -3.375 1.00 0.00 C ATOM 881 CG PHE A 58 -4.504 2.338 -3.491 1.00 0.00 C ATOM 882 CD1 PHE A 58 -5.464 3.133 -2.885 1.00 0.00 C ATOM 883 CD2 PHE A 58 -3.487 2.950 -4.205 1.00 0.00 C ATOM 884 CE1 PHE A 58 -5.411 4.510 -2.990 1.00 0.00 C ATOM 885 CE2 PHE A 58 -3.428 4.326 -4.312 1.00 0.00 C ATOM 886 CZ PHE A 58 -4.391 5.108 -3.705 1.00 0.00 C ATOM 0 H PHE A 58 -6.946 0.292 -2.683 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.617 0.731 -5.246 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.789 0.574 -2.342 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.584 0.427 -3.606 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.263 2.671 -2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.732 2.344 -4.684 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.166 5.118 -2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.629 4.790 -4.870 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.347 6.184 -3.789 1.00 0.00 H new ATOM 896 N PRO A 59 -4.290 -1.473 -5.475 1.00 0.00 N ATOM 897 CA PRO A 59 -3.829 -2.817 -5.838 1.00 0.00 C ATOM 898 C PRO A 59 -3.035 -3.479 -4.718 1.00 0.00 C ATOM 899 O PRO A 59 -1.917 -3.068 -4.411 1.00 0.00 O ATOM 900 CB PRO A 59 -2.934 -2.568 -7.054 1.00 0.00 C ATOM 901 CG PRO A 59 -2.463 -1.163 -6.897 1.00 0.00 C ATOM 902 CD PRO A 59 -3.589 -0.422 -6.231 1.00 0.00 C ATOM 0 HA PRO A 59 -4.660 -3.494 -6.035 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.097 -3.266 -7.079 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.486 -2.699 -7.985 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.556 -1.120 -6.293 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.223 -0.721 -7.864 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -3.219 0.366 -5.575 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.245 0.053 -6.961 1.00 0.00 H new ATOM 910 N GLU A 60 -3.621 -4.507 -4.111 1.00 0.00 N ATOM 911 CA GLU A 60 -2.966 -5.226 -3.024 1.00 0.00 C ATOM 912 C GLU A 60 -1.537 -5.604 -3.405 1.00 0.00 C ATOM 913 O GLU A 60 -1.083 -5.320 -4.513 1.00 0.00 O ATOM 914 CB GLU A 60 -3.759 -6.484 -2.665 1.00 0.00 C ATOM 915 CG GLU A 60 -3.814 -7.510 -3.784 1.00 0.00 C ATOM 916 CD GLU A 60 -4.730 -7.089 -4.917 1.00 0.00 C ATOM 917 OE1 GLU A 60 -5.736 -6.402 -4.643 1.00 0.00 O ATOM 918 OE2 GLU A 60 -4.441 -7.447 -6.078 1.00 0.00 O ATOM 0 H GLU A 60 -4.547 -4.860 -4.353 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.930 -4.567 -2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.314 -6.944 -1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.776 -6.198 -2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.809 -7.670 -4.175 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.155 -8.464 -3.381 1.00 0.00 H new ATOM 925 N ALA A 61 -0.834 -6.245 -2.477 1.00 0.00 N ATOM 926 CA ALA A 61 0.542 -6.663 -2.715 1.00 0.00 C ATOM 927 C ALA A 61 0.894 -7.891 -1.882 1.00 0.00 C ATOM 928 O ALA A 61 0.271 -8.157 -0.854 1.00 0.00 O ATOM 929 CB ALA A 61 1.501 -5.522 -2.409 1.00 0.00 C ATOM 0 H ALA A 61 -1.195 -6.486 -1.554 1.00 0.00 H new ATOM 0 HA ALA A 61 0.638 -6.930 -3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.525 -5.848 -2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.272 -4.672 -3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.395 -5.227 -1.365 1.00 0.00 H new ATOM 935 N LYS A 62 1.896 -8.638 -2.332 1.00 0.00 N ATOM 936 CA LYS A 62 2.333 -9.838 -1.629 1.00 0.00 C ATOM 937 C LYS A 62 3.565 -9.552 -0.777 1.00 0.00 C ATOM 938 O LYS A 62 4.444 -8.788 -1.176 1.00 0.00 O ATOM 939 CB LYS A 62 2.639 -10.957 -2.628 1.00 0.00 C ATOM 940 CG LYS A 62 1.397 -11.602 -3.218 1.00 0.00 C ATOM 941 CD LYS A 62 1.743 -12.515 -4.382 1.00 0.00 C ATOM 942 CE LYS A 62 0.702 -13.610 -4.560 1.00 0.00 C ATOM 943 NZ LYS A 62 1.017 -14.492 -5.718 1.00 0.00 N ATOM 0 H LYS A 62 2.422 -8.433 -3.182 1.00 0.00 H new ATOM 0 HA LYS A 62 1.525 -10.157 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.248 -10.554 -3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.235 -11.723 -2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.881 -12.174 -2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.708 -10.827 -3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.815 -11.928 -5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.721 -12.965 -4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.647 -14.210 -3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.279 -13.158 -4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.284 -15.225 -5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.045 -13.925 -6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.942 -14.943 -5.569 1.00 0.00 H new ATOM 957 N GLY A 63 3.624 -10.171 0.398 1.00 0.00 N ATOM 958 CA GLY A 63 4.754 -9.970 1.287 1.00 0.00 C ATOM 959 C GLY A 63 5.044 -11.189 2.140 1.00 0.00 C ATOM 960 O GLY A 63 4.133 -11.784 2.715 1.00 0.00 O ATOM 0 H GLY A 63 2.910 -10.808 0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.637 -9.724 0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.556 -9.116 1.935 1.00 0.00 H new ATOM 964 N ARG A 64 6.317 -11.563 2.221 1.00 0.00 N ATOM 965 CA ARG A 64 6.725 -12.721 3.008 1.00 0.00 C ATOM 966 C ARG A 64 6.031 -12.726 4.367 1.00 0.00 C ATOM 967 O ARG A 64 5.430 -13.724 4.765 1.00 0.00 O ATOM 968 CB ARG A 64 8.242 -12.726 3.198 1.00 0.00 C ATOM 969 CG ARG A 64 8.774 -14.009 3.816 1.00 0.00 C ATOM 970 CD ARG A 64 10.295 -14.037 3.821 1.00 0.00 C ATOM 971 NE ARG A 64 10.853 -13.221 4.896 1.00 0.00 N ATOM 972 CZ ARG A 64 11.047 -11.910 4.799 1.00 0.00 C ATOM 973 NH1 ARG A 64 10.728 -11.270 3.682 1.00 0.00 N ATOM 974 NH2 ARG A 64 11.560 -11.237 5.821 1.00 0.00 N ATOM 0 H ARG A 64 7.083 -11.081 1.751 1.00 0.00 H new ATOM 0 HA ARG A 64 6.431 -13.620 2.466 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.721 -12.572 2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.523 -11.884 3.831 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.404 -14.103 4.837 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.395 -14.866 3.260 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.638 -15.066 3.931 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.668 -13.677 2.862 1.00 0.00 H new ATOM 0 HE ARG A 64 11.108 -13.683 5.769 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.333 -11.784 2.895 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.878 -10.264 3.610 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.806 -11.726 6.682 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.709 -10.231 5.746 1.00 0.00 H new ATOM 988 N SER A 65 6.119 -11.604 5.075 1.00 0.00 N ATOM 989 CA SER A 65 5.504 -11.481 6.391 1.00 0.00 C ATOM 990 C SER A 65 4.302 -10.543 6.343 1.00 0.00 C ATOM 991 O SER A 65 4.127 -9.786 5.388 1.00 0.00 O ATOM 992 CB SER A 65 6.525 -10.968 7.409 1.00 0.00 C ATOM 993 OG SER A 65 6.012 -11.044 8.728 1.00 0.00 O ATOM 0 H SER A 65 6.610 -10.768 4.759 1.00 0.00 H new ATOM 0 HA SER A 65 5.160 -12.469 6.698 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.441 -11.554 7.337 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.788 -9.936 7.177 1.00 0.00 H new ATOM 0 HG SER A 65 6.684 -10.712 9.360 1.00 0.00 H new ATOM 999 N LYS A 66 3.474 -10.599 7.381 1.00 0.00 N ATOM 1000 CA LYS A 66 2.287 -9.755 7.460 1.00 0.00 C ATOM 1001 C LYS A 66 2.652 -8.285 7.276 1.00 0.00 C ATOM 1002 O LYS A 66 2.016 -7.572 6.500 1.00 0.00 O ATOM 1003 CB LYS A 66 1.585 -9.952 8.806 1.00 0.00 C ATOM 1004 CG LYS A 66 0.894 -11.298 8.940 1.00 0.00 C ATOM 1005 CD LYS A 66 -0.440 -11.315 8.214 1.00 0.00 C ATOM 1006 CE LYS A 66 -1.382 -12.354 8.802 1.00 0.00 C ATOM 1007 NZ LYS A 66 -1.873 -11.957 10.151 1.00 0.00 N ATOM 0 H LYS A 66 3.603 -11.220 8.180 1.00 0.00 H new ATOM 0 HA LYS A 66 1.610 -10.047 6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.317 -9.847 9.607 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.849 -9.160 8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.538 -12.080 8.538 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.738 -11.524 9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.901 -10.329 8.275 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.277 -11.527 7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.231 -12.494 8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.868 -13.313 8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.732 -12.497 10.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.139 -12.156 10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.092 -10.940 10.155 1.00 0.00 H new ATOM 1021 N GLN A 67 3.680 -7.841 7.991 1.00 0.00 N ATOM 1022 CA GLN A 67 4.128 -6.456 7.905 1.00 0.00 C ATOM 1023 C GLN A 67 4.656 -6.141 6.509 1.00 0.00 C ATOM 1024 O GLN A 67 4.128 -5.271 5.817 1.00 0.00 O ATOM 1025 CB GLN A 67 5.215 -6.184 8.947 1.00 0.00 C ATOM 1026 CG GLN A 67 5.454 -4.704 9.203 1.00 0.00 C ATOM 1027 CD GLN A 67 6.436 -4.459 10.332 1.00 0.00 C ATOM 1028 OE1 GLN A 67 7.182 -5.356 10.727 1.00 0.00 O ATOM 1029 NE2 GLN A 67 6.442 -3.240 10.858 1.00 0.00 N ATOM 0 H GLN A 67 4.218 -8.420 8.636 1.00 0.00 H new ATOM 0 HA GLN A 67 3.273 -5.811 8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 67 4.937 -6.666 9.884 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.147 -6.642 8.616 1.00 0.00 H new ATOM 0 HG2 GLN A 67 5.829 -4.237 8.292 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.505 -4.222 9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.807 -2.527 10.500 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.082 -3.017 11.620 1.00 0.00 H new ATOM 1038 N GLU A 68 5.701 -6.855 6.101 1.00 0.00 N ATOM 1039 CA GLU A 68 6.300 -6.650 4.788 1.00 0.00 C ATOM 1040 C GLU A 68 5.224 -6.452 3.724 1.00 0.00 C ATOM 1041 O GLU A 68 5.369 -5.622 2.827 1.00 0.00 O ATOM 1042 CB GLU A 68 7.188 -7.840 4.416 1.00 0.00 C ATOM 1043 CG GLU A 68 7.968 -7.638 3.128 1.00 0.00 C ATOM 1044 CD GLU A 68 9.252 -8.443 3.092 1.00 0.00 C ATOM 1045 OE1 GLU A 68 10.286 -7.935 3.574 1.00 0.00 O ATOM 1046 OE2 GLU A 68 9.223 -9.583 2.580 1.00 0.00 O ATOM 0 H GLU A 68 6.150 -7.580 6.661 1.00 0.00 H new ATOM 0 HA GLU A 68 6.912 -5.749 4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.889 -8.028 5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.566 -8.730 4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.343 -7.920 2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.203 -6.580 3.012 1.00 0.00 H new ATOM 1053 N ALA A 69 4.146 -7.221 3.831 1.00 0.00 N ATOM 1054 CA ALA A 69 3.045 -7.130 2.880 1.00 0.00 C ATOM 1055 C ALA A 69 2.410 -5.744 2.907 1.00 0.00 C ATOM 1056 O ALA A 69 2.167 -5.142 1.862 1.00 0.00 O ATOM 1057 CB ALA A 69 2.002 -8.197 3.177 1.00 0.00 C ATOM 0 H ALA A 69 4.011 -7.914 4.567 1.00 0.00 H new ATOM 0 HA ALA A 69 3.446 -7.298 1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.186 -8.117 2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.459 -9.184 3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.614 -8.055 4.186 1.00 0.00 H new ATOM 1063 N ARG A 70 2.142 -5.245 4.109 1.00 0.00 N ATOM 1064 CA ARG A 70 1.533 -3.930 4.272 1.00 0.00 C ATOM 1065 C ARG A 70 2.376 -2.853 3.597 1.00 0.00 C ATOM 1066 O ARG A 70 1.852 -1.993 2.890 1.00 0.00 O ATOM 1067 CB ARG A 70 1.362 -3.604 5.757 1.00 0.00 C ATOM 1068 CG ARG A 70 0.053 -4.104 6.344 1.00 0.00 C ATOM 1069 CD ARG A 70 -0.346 -3.307 7.576 1.00 0.00 C ATOM 1070 NE ARG A 70 -1.623 -3.752 8.127 1.00 0.00 N ATOM 1071 CZ ARG A 70 -1.768 -4.862 8.842 1.00 0.00 C ATOM 1072 NH1 ARG A 70 -0.720 -5.636 9.091 1.00 0.00 N ATOM 1073 NH2 ARG A 70 -2.963 -5.201 9.309 1.00 0.00 N ATOM 0 H ARG A 70 2.337 -5.731 4.984 1.00 0.00 H new ATOM 0 HA ARG A 70 0.552 -3.950 3.797 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.191 -4.042 6.314 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.422 -2.524 5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.734 -4.033 5.593 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.150 -5.157 6.607 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.429 -3.402 8.336 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.411 -2.250 7.318 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.449 -3.179 7.953 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.200 -5.379 8.733 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.834 -6.488 9.640 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.772 -4.609 9.119 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.073 -6.054 9.858 1.00 0.00 H new ATOM 1087 N ASN A 71 3.685 -2.906 3.821 1.00 0.00 N ATOM 1088 CA ASN A 71 4.601 -1.934 3.235 1.00 0.00 C ATOM 1089 C ASN A 71 4.517 -1.957 1.712 1.00 0.00 C ATOM 1090 O ASN A 71 4.539 -0.911 1.063 1.00 0.00 O ATOM 1091 CB ASN A 71 6.036 -2.220 3.683 1.00 0.00 C ATOM 1092 CG ASN A 71 6.986 -1.091 3.333 1.00 0.00 C ATOM 1093 OD1 ASN A 71 7.069 -0.090 4.045 1.00 0.00 O ATOM 1094 ND2 ASN A 71 7.710 -1.248 2.230 1.00 0.00 N ATOM 0 H ASN A 71 4.135 -3.612 4.404 1.00 0.00 H new ATOM 0 HA ASN A 71 4.310 -0.942 3.582 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.052 -2.384 4.761 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.383 -3.141 3.216 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.367 -0.522 1.944 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.609 -2.094 1.670 1.00 0.00 H new ATOM 1101 N ALA A 72 4.421 -3.156 1.148 1.00 0.00 N ATOM 1102 CA ALA A 72 4.331 -3.316 -0.298 1.00 0.00 C ATOM 1103 C ALA A 72 3.119 -2.579 -0.857 1.00 0.00 C ATOM 1104 O ALA A 72 3.259 -1.622 -1.618 1.00 0.00 O ATOM 1105 CB ALA A 72 4.270 -4.792 -0.663 1.00 0.00 C ATOM 0 H ALA A 72 4.404 -4.032 1.671 1.00 0.00 H new ATOM 0 HA ALA A 72 5.225 -2.880 -0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.203 -4.897 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.170 -5.293 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.394 -5.245 -0.200 1.00 0.00 H new ATOM 1111 N ALA A 73 1.929 -3.033 -0.476 1.00 0.00 N ATOM 1112 CA ALA A 73 0.692 -2.416 -0.939 1.00 0.00 C ATOM 1113 C ALA A 73 0.793 -0.895 -0.908 1.00 0.00 C ATOM 1114 O ALA A 73 0.218 -0.208 -1.753 1.00 0.00 O ATOM 1115 CB ALA A 73 -0.481 -2.886 -0.092 1.00 0.00 C ATOM 0 H ALA A 73 1.796 -3.826 0.152 1.00 0.00 H new ATOM 0 HA ALA A 73 0.526 -2.722 -1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.398 -2.417 -0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.574 -3.969 -0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.313 -2.608 0.949 1.00 0.00 H new ATOM 1121 N ALA A 74 1.527 -0.374 0.070 1.00 0.00 N ATOM 1122 CA ALA A 74 1.703 1.066 0.209 1.00 0.00 C ATOM 1123 C ALA A 74 2.566 1.625 -0.918 1.00 0.00 C ATOM 1124 O ALA A 74 2.336 2.734 -1.398 1.00 0.00 O ATOM 1125 CB ALA A 74 2.319 1.394 1.561 1.00 0.00 C ATOM 0 H ALA A 74 2.009 -0.928 0.778 1.00 0.00 H new ATOM 0 HA ALA A 74 0.721 1.535 0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.445 2.473 1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.664 1.037 2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.290 0.907 1.646 1.00 0.00 H new ATOM 1131 N LYS A 75 3.562 0.849 -1.334 1.00 0.00 N ATOM 1132 CA LYS A 75 4.460 1.265 -2.405 1.00 0.00 C ATOM 1133 C LYS A 75 3.674 1.672 -3.647 1.00 0.00 C ATOM 1134 O LYS A 75 3.941 2.713 -4.250 1.00 0.00 O ATOM 1135 CB LYS A 75 5.432 0.135 -2.751 1.00 0.00 C ATOM 1136 CG LYS A 75 6.328 0.445 -3.937 1.00 0.00 C ATOM 1137 CD LYS A 75 7.219 -0.735 -4.287 1.00 0.00 C ATOM 1138 CE LYS A 75 7.772 -0.616 -5.699 1.00 0.00 C ATOM 1139 NZ LYS A 75 8.826 -1.633 -5.969 1.00 0.00 N ATOM 0 H LYS A 75 3.767 -0.071 -0.945 1.00 0.00 H new ATOM 0 HA LYS A 75 5.026 2.129 -2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.055 -0.076 -1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.863 -0.770 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.714 0.707 -4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.946 1.314 -3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.043 -0.794 -3.576 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.652 -1.661 -4.194 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.961 -0.734 -6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.185 0.382 -5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.177 -1.519 -6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.612 -1.505 -5.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.426 -2.586 -5.855 1.00 0.00 H new ATOM 1153 N LEU A 76 2.704 0.847 -4.024 1.00 0.00 N ATOM 1154 CA LEU A 76 1.877 1.122 -5.195 1.00 0.00 C ATOM 1155 C LEU A 76 0.960 2.315 -4.945 1.00 0.00 C ATOM 1156 O LEU A 76 0.697 3.107 -5.849 1.00 0.00 O ATOM 1157 CB LEU A 76 1.045 -0.110 -5.556 1.00 0.00 C ATOM 1158 CG LEU A 76 1.804 -1.435 -5.630 1.00 0.00 C ATOM 1159 CD1 LEU A 76 0.834 -2.599 -5.757 1.00 0.00 C ATOM 1160 CD2 LEU A 76 2.784 -1.425 -6.794 1.00 0.00 C ATOM 0 H LEU A 76 2.470 -0.018 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 76 2.537 1.363 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.247 -0.212 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.569 0.068 -6.521 1.00 0.00 H new ATOM 0 HG LEU A 76 2.370 -1.559 -4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.392 -3.534 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.173 -2.618 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.240 -2.481 -6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.315 -2.376 -6.831 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.240 -1.277 -7.727 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.500 -0.615 -6.660 1.00 0.00 H new ATOM 1172 N ALA A 77 0.477 2.436 -3.713 1.00 0.00 N ATOM 1173 CA ALA A 77 -0.407 3.534 -3.343 1.00 0.00 C ATOM 1174 C ALA A 77 0.328 4.870 -3.389 1.00 0.00 C ATOM 1175 O ALA A 77 -0.019 5.754 -4.172 1.00 0.00 O ATOM 1176 CB ALA A 77 -0.992 3.298 -1.959 1.00 0.00 C ATOM 0 H ALA A 77 0.683 1.787 -2.954 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.221 3.572 -4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.650 4.126 -1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.561 2.368 -1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.185 3.230 -1.230 1.00 0.00 H new ATOM 1182 N VAL A 78 1.344 5.010 -2.544 1.00 0.00 N ATOM 1183 CA VAL A 78 2.128 6.238 -2.488 1.00 0.00 C ATOM 1184 C VAL A 78 2.543 6.689 -3.884 1.00 0.00 C ATOM 1185 O VAL A 78 2.502 7.878 -4.201 1.00 0.00 O ATOM 1186 CB VAL A 78 3.389 6.060 -1.622 1.00 0.00 C ATOM 1187 CG1 VAL A 78 4.175 7.360 -1.549 1.00 0.00 C ATOM 1188 CG2 VAL A 78 3.015 5.575 -0.230 1.00 0.00 C ATOM 0 H VAL A 78 1.644 4.288 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 78 1.492 7.000 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 78 4.024 5.305 -2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.062 7.215 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.475 7.660 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.551 8.138 -1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.918 5.455 0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.359 6.304 0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.499 4.618 -0.305 1.00 0.00 H new ATOM 1198 N ASP A 79 2.942 5.732 -4.715 1.00 0.00 N ATOM 1199 CA ASP A 79 3.363 6.030 -6.079 1.00 0.00 C ATOM 1200 C ASP A 79 2.262 6.763 -6.839 1.00 0.00 C ATOM 1201 O ASP A 79 2.523 7.747 -7.532 1.00 0.00 O ATOM 1202 CB ASP A 79 3.736 4.742 -6.813 1.00 0.00 C ATOM 1203 CG ASP A 79 4.779 4.970 -7.890 1.00 0.00 C ATOM 1204 OD1 ASP A 79 4.417 5.496 -8.963 1.00 0.00 O ATOM 1205 OD2 ASP A 79 5.956 4.622 -7.660 1.00 0.00 O ATOM 0 H ASP A 79 2.983 4.743 -4.468 1.00 0.00 H new ATOM 0 HA ASP A 79 4.239 6.677 -6.030 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.113 4.014 -6.095 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.841 4.312 -7.263 1.00 0.00 H new ATOM 1210 N ILE A 80 1.033 6.277 -6.706 1.00 0.00 N ATOM 1211 CA ILE A 80 -0.106 6.886 -7.380 1.00 0.00 C ATOM 1212 C ILE A 80 -0.384 8.284 -6.838 1.00 0.00 C ATOM 1213 O ILE A 80 -0.647 9.216 -7.598 1.00 0.00 O ATOM 1214 CB ILE A 80 -1.376 6.027 -7.228 1.00 0.00 C ATOM 1215 CG1 ILE A 80 -1.207 4.694 -7.960 1.00 0.00 C ATOM 1216 CG2 ILE A 80 -2.589 6.777 -7.756 1.00 0.00 C ATOM 1217 CD1 ILE A 80 -2.156 3.617 -7.482 1.00 0.00 C ATOM 0 H ILE A 80 0.801 5.463 -6.137 1.00 0.00 H new ATOM 0 HA ILE A 80 0.153 6.954 -8.437 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.533 5.821 -6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.359 4.853 -9.028 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.182 4.346 -7.833 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.478 6.157 -7.642 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.717 7.703 -7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.442 7.010 -8.811 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.979 2.700 -8.045 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.989 3.429 -6.421 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.184 3.944 -7.635 1.00 0.00 H new ATOM 1229 N LEU A 81 -0.322 8.423 -5.518 1.00 0.00 N ATOM 1230 CA LEU A 81 -0.565 9.708 -4.872 1.00 0.00 C ATOM 1231 C LEU A 81 0.452 10.749 -5.331 1.00 0.00 C ATOM 1232 O LEU A 81 0.105 11.905 -5.573 1.00 0.00 O ATOM 1233 CB LEU A 81 -0.504 9.556 -3.351 1.00 0.00 C ATOM 1234 CG LEU A 81 -1.322 8.408 -2.758 1.00 0.00 C ATOM 1235 CD1 LEU A 81 -1.020 8.247 -1.277 1.00 0.00 C ATOM 1236 CD2 LEU A 81 -2.809 8.642 -2.979 1.00 0.00 C ATOM 0 H LEU A 81 -0.106 7.662 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.560 10.048 -5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.538 9.421 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.842 10.488 -2.899 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.041 7.486 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.611 7.426 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.040 8.032 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.272 9.168 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.375 7.815 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.106 9.573 -2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.012 8.705 -4.048 1.00 0.00 H new ATOM 1248 N ASP A 82 1.706 10.330 -5.452 1.00 0.00 N ATOM 1249 CA ASP A 82 2.773 11.225 -5.886 1.00 0.00 C ATOM 1250 C ASP A 82 2.552 11.674 -7.327 1.00 0.00 C ATOM 1251 O ASP A 82 2.828 12.820 -7.679 1.00 0.00 O ATOM 1252 CB ASP A 82 4.131 10.534 -5.757 1.00 0.00 C ATOM 1253 CG ASP A 82 4.768 10.758 -4.399 1.00 0.00 C ATOM 1254 OD1 ASP A 82 5.388 11.825 -4.203 1.00 0.00 O ATOM 1255 OD2 ASP A 82 4.645 9.868 -3.532 1.00 0.00 O ATOM 0 H ASP A 82 2.009 9.376 -5.256 1.00 0.00 H new ATOM 0 HA ASP A 82 2.760 12.105 -5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.008 9.464 -5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.799 10.905 -6.534 1.00 0.00 H new ATOM 1260 N ASN A 83 2.054 10.763 -8.156 1.00 0.00 N ATOM 1261 CA ASN A 83 1.798 11.066 -9.560 1.00 0.00 C ATOM 1262 C ASN A 83 0.683 12.098 -9.699 1.00 0.00 C ATOM 1263 O ASN A 83 0.702 12.928 -10.607 1.00 0.00 O ATOM 1264 CB ASN A 83 1.426 9.790 -10.318 1.00 0.00 C ATOM 1265 CG ASN A 83 1.844 9.841 -11.775 1.00 0.00 C ATOM 1266 OD1 ASN A 83 2.936 9.401 -12.135 1.00 0.00 O ATOM 1267 ND2 ASN A 83 0.975 10.381 -12.622 1.00 0.00 N ATOM 0 H ASN A 83 1.820 9.809 -7.881 1.00 0.00 H new ATOM 0 HA ASN A 83 2.709 11.483 -9.989 1.00 0.00 H new ATOM 0 HB2 ASN A 83 1.899 8.934 -9.837 1.00 0.00 H new ATOM 0 HB3 ASN A 83 0.349 9.635 -10.257 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.202 10.443 -13.615 1.00 0.00 H new ATOM 0 HD22 ASN A 83 0.081 10.733 -12.280 1.00 0.00 H new ATOM 1274 N GLU A 84 -0.288 12.038 -8.792 1.00 0.00 N ATOM 1275 CA GLU A 84 -1.411 12.968 -8.815 1.00 0.00 C ATOM 1276 C GLU A 84 -0.924 14.412 -8.753 1.00 0.00 C ATOM 1277 O GLU A 84 -1.604 15.328 -9.213 1.00 0.00 O ATOM 1278 CB GLU A 84 -2.357 12.687 -7.645 1.00 0.00 C ATOM 1279 CG GLU A 84 -3.092 11.362 -7.762 1.00 0.00 C ATOM 1280 CD GLU A 84 -3.965 11.071 -6.556 1.00 0.00 C ATOM 1281 OE1 GLU A 84 -3.637 11.559 -5.454 1.00 0.00 O ATOM 1282 OE2 GLU A 84 -4.976 10.355 -6.715 1.00 0.00 O ATOM 0 H GLU A 84 -0.319 11.356 -8.034 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.949 12.825 -9.752 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.786 12.695 -6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.087 13.493 -7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.710 11.372 -8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.366 10.558 -7.883 1.00 0.00 H new ATOM 1289 N ASN A 85 0.260 14.607 -8.181 1.00 0.00 N ATOM 1290 CA ASN A 85 0.839 15.940 -8.057 1.00 0.00 C ATOM 1291 C ASN A 85 1.895 16.176 -9.133 1.00 0.00 C ATOM 1292 O ASN A 85 3.095 16.122 -8.863 1.00 0.00 O ATOM 1293 CB ASN A 85 1.458 16.124 -6.670 1.00 0.00 C ATOM 1294 CG ASN A 85 1.517 17.580 -6.251 1.00 0.00 C ATOM 1295 OD1 ASN A 85 2.584 18.101 -5.926 1.00 0.00 O ATOM 1296 ND2 ASN A 85 0.368 18.245 -6.258 1.00 0.00 N ATOM 0 H ASN A 85 0.837 13.859 -7.796 1.00 0.00 H new ATOM 0 HA ASN A 85 0.040 16.670 -8.190 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.877 15.562 -5.939 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.465 15.707 -6.666 1.00 0.00 H new ATOM 0 HD21 ASN A 85 0.346 19.228 -5.987 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -0.493 17.773 -6.535 1.00 0.00 H new ATOM 1303 N LYS A 86 1.440 16.439 -10.353 1.00 0.00 N ATOM 1304 CA LYS A 86 2.344 16.685 -11.471 1.00 0.00 C ATOM 1305 C LYS A 86 3.582 17.449 -11.011 1.00 0.00 C ATOM 1306 O LYS A 86 3.477 18.522 -10.417 1.00 0.00 O ATOM 1307 CB LYS A 86 1.626 17.472 -12.570 1.00 0.00 C ATOM 1308 CG LYS A 86 2.289 17.358 -13.931 1.00 0.00 C ATOM 1309 CD LYS A 86 1.522 18.129 -14.992 1.00 0.00 C ATOM 1310 CE LYS A 86 1.697 19.631 -14.826 1.00 0.00 C ATOM 1311 NZ LYS A 86 0.937 20.395 -15.854 1.00 0.00 N ATOM 0 H LYS A 86 0.450 16.487 -10.593 1.00 0.00 H new ATOM 0 HA LYS A 86 2.660 15.721 -11.870 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.598 17.119 -12.645 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.582 18.523 -12.283 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.310 17.736 -13.872 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.354 16.309 -14.218 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.866 17.829 -15.982 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.463 17.876 -14.933 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.363 19.928 -13.832 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.755 19.883 -14.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.082 21.414 -15.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.273 20.131 -16.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.076 20.174 -15.772 1.00 0.00 H new ATOM 1325 N VAL A 87 4.754 16.889 -11.291 1.00 0.00 N ATOM 1326 CA VAL A 87 6.013 17.518 -10.908 1.00 0.00 C ATOM 1327 C VAL A 87 7.147 17.083 -11.829 1.00 0.00 C ATOM 1328 O VAL A 87 7.244 15.913 -12.201 1.00 0.00 O ATOM 1329 CB VAL A 87 6.389 17.181 -9.453 1.00 0.00 C ATOM 1330 CG1 VAL A 87 6.230 15.691 -9.191 1.00 0.00 C ATOM 1331 CG2 VAL A 87 7.809 17.635 -9.152 1.00 0.00 C ATOM 0 H VAL A 87 4.858 16.001 -11.782 1.00 0.00 H new ATOM 0 HA VAL A 87 5.869 18.595 -10.998 1.00 0.00 H new ATOM 0 HB VAL A 87 5.712 17.716 -8.788 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.500 15.472 -8.158 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.194 15.400 -9.365 1.00 0.00 H new ATOM 0 HG13 VAL A 87 6.882 15.132 -9.863 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.058 17.389 -8.120 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.503 17.129 -9.823 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.885 18.713 -9.297 1.00 0.00 H new ATOM 1341 N ASP A 88 8.004 18.031 -12.192 1.00 0.00 N ATOM 1342 CA ASP A 88 9.134 17.746 -13.069 1.00 0.00 C ATOM 1343 C ASP A 88 10.251 17.043 -12.303 1.00 0.00 C ATOM 1344 O ASP A 88 11.038 17.685 -11.606 1.00 0.00 O ATOM 1345 CB ASP A 88 9.661 19.038 -13.694 1.00 0.00 C ATOM 1346 CG ASP A 88 11.095 18.909 -14.167 1.00 0.00 C ATOM 1347 OD1 ASP A 88 11.470 17.811 -14.629 1.00 0.00 O ATOM 1348 OD2 ASP A 88 11.843 19.906 -14.075 1.00 0.00 O ATOM 0 H ASP A 88 7.938 19.004 -11.892 1.00 0.00 H new ATOM 0 HA ASP A 88 8.789 17.083 -13.863 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.027 19.316 -14.536 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.593 19.845 -12.965 1.00 0.00 H new ATOM 1353 N CYS A 89 10.314 15.723 -12.438 1.00 0.00 N ATOM 1354 CA CYS A 89 11.334 14.933 -11.757 1.00 0.00 C ATOM 1355 C CYS A 89 11.694 13.694 -12.570 1.00 0.00 C ATOM 1356 O CYS A 89 10.821 12.914 -12.952 1.00 0.00 O ATOM 1357 CB CYS A 89 10.847 14.522 -10.367 1.00 0.00 C ATOM 1358 SG CYS A 89 10.989 15.824 -9.120 1.00 0.00 S ATOM 0 H CYS A 89 9.671 15.177 -13.012 1.00 0.00 H new ATOM 0 HA CYS A 89 12.227 15.550 -11.653 1.00 0.00 H new ATOM 0 HB2 CYS A 89 9.804 14.212 -10.436 1.00 0.00 H new ATOM 0 HB3 CYS A 89 11.416 13.653 -10.036 1.00 0.00 H new ATOM 0 HG CYS A 89 11.056 16.982 -9.707 1.00 0.00 H new ATOM 1364 N HIS A 90 12.985 13.520 -12.834 1.00 0.00 N ATOM 1365 CA HIS A 90 13.461 12.376 -13.603 1.00 0.00 C ATOM 1366 C HIS A 90 13.203 11.072 -12.853 1.00 0.00 C ATOM 1367 O HIS A 90 13.840 10.791 -11.837 1.00 0.00 O ATOM 1368 CB HIS A 90 14.953 12.520 -13.902 1.00 0.00 C ATOM 1369 CG HIS A 90 15.596 11.250 -14.368 1.00 0.00 C ATOM 1370 ND1 HIS A 90 15.919 10.213 -13.518 1.00 0.00 N ATOM 1371 CD2 HIS A 90 15.975 10.853 -15.605 1.00 0.00 C ATOM 1372 CE1 HIS A 90 16.470 9.234 -14.212 1.00 0.00 C ATOM 1373 NE2 HIS A 90 16.515 9.596 -15.482 1.00 0.00 N ATOM 0 H HIS A 90 13.720 14.157 -12.527 1.00 0.00 H new ATOM 0 HA HIS A 90 12.911 12.348 -14.544 1.00 0.00 H new ATOM 0 HB2 HIS A 90 15.090 13.288 -14.664 1.00 0.00 H new ATOM 0 HB3 HIS A 90 15.463 12.868 -13.004 1.00 0.00 H new ATOM 0 HD1 HIS A 90 15.758 10.204 -12.511 1.00 0.00 H new ATOM 0 HD2 HIS A 90 15.872 11.419 -16.519 1.00 0.00 H new ATOM 0 HE1 HIS A 90 16.824 8.296 -13.810 1.00 0.00 H new ATOM 1382 N THR A 91 12.265 10.278 -13.361 1.00 0.00 N ATOM 1383 CA THR A 91 11.923 9.006 -12.738 1.00 0.00 C ATOM 1384 C THR A 91 11.412 8.008 -13.772 1.00 0.00 C ATOM 1385 O THR A 91 10.681 8.373 -14.692 1.00 0.00 O ATOM 1386 CB THR A 91 10.854 9.185 -11.644 1.00 0.00 C ATOM 1387 OG1 THR A 91 10.560 7.924 -11.034 1.00 0.00 O ATOM 1388 CG2 THR A 91 9.581 9.783 -12.223 1.00 0.00 C ATOM 0 H THR A 91 11.729 10.494 -14.202 1.00 0.00 H new ATOM 0 HA THR A 91 12.836 8.621 -12.284 1.00 0.00 H new ATOM 0 HB THR A 91 11.248 9.868 -10.892 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.881 8.048 -10.339 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.841 9.900 -11.431 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.802 10.757 -12.659 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.186 9.121 -12.994 1.00 0.00 H new ATOM 1396 N SER A 92 11.801 6.747 -13.613 1.00 0.00 N ATOM 1397 CA SER A 92 11.385 5.697 -14.535 1.00 0.00 C ATOM 1398 C SER A 92 9.891 5.792 -14.828 1.00 0.00 C ATOM 1399 O SER A 92 9.480 5.927 -15.980 1.00 0.00 O ATOM 1400 CB SER A 92 11.716 4.320 -13.955 1.00 0.00 C ATOM 1401 OG SER A 92 13.060 3.962 -14.227 1.00 0.00 O ATOM 0 H SER A 92 12.404 6.428 -12.854 1.00 0.00 H new ATOM 0 HA SER A 92 11.930 5.831 -15.469 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.549 4.326 -12.878 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.045 3.573 -14.378 1.00 0.00 H new ATOM 0 HG SER A 92 13.247 3.079 -13.845 1.00 0.00 H new ATOM 1407 N GLY A 93 9.082 5.720 -13.775 1.00 0.00 N ATOM 1408 CA GLY A 93 7.642 5.799 -13.939 1.00 0.00 C ATOM 1409 C GLY A 93 7.002 4.437 -14.116 1.00 0.00 C ATOM 1410 O GLY A 93 6.558 4.072 -15.205 1.00 0.00 O ATOM 0 H GLY A 93 9.398 5.608 -12.812 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.207 6.291 -13.069 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.412 6.420 -14.805 1.00 0.00 H new ATOM 1414 N PRO A 94 6.950 3.657 -13.025 1.00 0.00 N ATOM 1415 CA PRO A 94 6.363 2.314 -13.040 1.00 0.00 C ATOM 1416 C PRO A 94 4.848 2.345 -13.210 1.00 0.00 C ATOM 1417 O PRO A 94 4.289 1.603 -14.017 1.00 0.00 O ATOM 1418 CB PRO A 94 6.736 1.750 -11.666 1.00 0.00 C ATOM 1419 CG PRO A 94 6.915 2.948 -10.800 1.00 0.00 C ATOM 1420 CD PRO A 94 7.460 4.028 -11.694 1.00 0.00 C ATOM 0 HA PRO A 94 6.730 1.718 -13.875 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.953 1.097 -11.281 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.650 1.158 -11.716 1.00 0.00 H new ATOM 0 HG2 PRO A 94 5.968 3.252 -10.354 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.601 2.737 -9.980 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.111 5.015 -11.391 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.549 4.055 -11.674 1.00 0.00 H new ATOM 1428 N SER A 95 4.189 3.209 -12.444 1.00 0.00 N ATOM 1429 CA SER A 95 2.738 3.334 -12.508 1.00 0.00 C ATOM 1430 C SER A 95 2.299 3.885 -13.862 1.00 0.00 C ATOM 1431 O SER A 95 3.115 4.388 -14.634 1.00 0.00 O ATOM 1432 CB SER A 95 2.233 4.245 -11.387 1.00 0.00 C ATOM 1433 OG SER A 95 0.824 4.169 -11.263 1.00 0.00 O ATOM 0 H SER A 95 4.637 3.832 -11.772 1.00 0.00 H new ATOM 0 HA SER A 95 2.307 2.341 -12.382 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.700 3.960 -10.444 1.00 0.00 H new ATOM 0 HB3 SER A 95 2.528 5.274 -11.590 1.00 0.00 H new ATOM 0 HG SER A 95 0.527 4.759 -10.539 1.00 0.00 H new ATOM 1439 N SER A 96 1.004 3.785 -14.143 1.00 0.00 N ATOM 1440 CA SER A 96 0.455 4.268 -15.404 1.00 0.00 C ATOM 1441 C SER A 96 -0.935 4.861 -15.201 1.00 0.00 C ATOM 1442 O SER A 96 -1.489 4.812 -14.103 1.00 0.00 O ATOM 1443 CB SER A 96 0.393 3.132 -16.427 1.00 0.00 C ATOM 1444 OG SER A 96 -0.619 2.198 -16.091 1.00 0.00 O ATOM 0 H SER A 96 0.315 3.373 -13.514 1.00 0.00 H new ATOM 0 HA SER A 96 1.113 5.051 -15.781 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.200 3.541 -17.419 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.358 2.627 -16.473 1.00 0.00 H new ATOM 0 HG SER A 96 -0.640 1.483 -16.761 1.00 0.00 H new ATOM 1450 N GLY A 97 -1.496 5.421 -16.268 1.00 0.00 N ATOM 1451 CA GLY A 97 -2.817 6.016 -16.187 1.00 0.00 C ATOM 1452 C GLY A 97 -3.294 6.553 -17.522 1.00 0.00 C ATOM 1453 O GLY A 97 -2.498 7.045 -18.321 1.00 0.00 O ATOM 0 H GLY A 97 -1.059 5.473 -17.188 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -3.526 5.272 -15.824 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.803 6.825 -15.457 1.00 0.00 H new TER 1457 GLY A 97