USER MOD reduce.3.24.130724 H: found=0, std=0, add=931, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 928 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 39 TYR OH : rot -80:sc= 1.23 USER MOD Set 1.2: A 64 ASN : amide:sc= -3.54! C(o=-2.3!,f=-4.6!) USER MOD Set 2.1: A 3 CYS SG : rot -95:sc= 0.401 USER MOD Set 2.2: A 5 CYS SG : rot -119:sc= -8.26! USER MOD Set 2.3: A 14 CYS SG : rot -81:sc= 0.0356 USER MOD Set 2.4: A 15 CYS SG : rot 103:sc= -4.38! USER MOD Single : A 7 SER OG : rot 118:sc= -1.74! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -135:sc= 1.02 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 31:sc= 0.0446 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -107:sc= -1.46 (180deg=-3.06!) USER MOD Single : A 34 SER OG : rot 151:sc= 0.303 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0224 USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 1.01 (180deg=1) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.618 USER MOD Single : A 50 THR OG1 : rot -79:sc= 1.84 USER MOD Single : A 51 THR OG1 : rot -149:sc= 0.683 USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl 172:sc= -1.51 (180deg=-1.81) USER MOD Single : A 71 SER OG : rot 163:sc= 0.00666 USER MOD Single : A 81 SER OG : rot -120:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 165:sc= -1.49 (180deg=-2.06!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.377 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 SER OG : rot 41:sc= 0.00951 USER MOD Single : A 106 HIS : no HE2:sc= -1.29 K(o=-1.3,f=-3.9!) USER MOD Single : A 107 HIS : no HE2:sc= -0.947 K(o=-0.95,f=-3.9!) USER MOD Single : A 110 SER OG : rot 124:sc= 0.43 USER MOD Single : A 111 GLN :FLIP amide:sc= 0.327 F(o=-3.8!,f=0.33) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -73:sc= 0.301 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 -0.862 -4.940 -1.805 1.00 0.00 N ATOM 35 CA CYS A 3 -2.122 -5.419 -1.259 1.00 0.00 C ATOM 36 C CYS A 3 -1.902 -6.789 -0.635 1.00 0.00 C ATOM 37 O CYS A 3 -0.976 -7.498 -1.029 1.00 0.00 O ATOM 38 CB CYS A 3 -3.157 -5.520 -2.385 1.00 0.00 C ATOM 39 SG CYS A 3 -4.878 -5.718 -1.828 1.00 0.00 S ATOM 0 HA CYS A 3 -2.486 -4.728 -0.499 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.091 -4.623 -3.001 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.897 -6.365 -3.023 1.00 0.00 H new ATOM 0 HG CYS A 3 -5.189 -6.980 -1.820 1.00 0.00 H new ATOM 44 N VAL A 4 -2.737 -7.167 0.332 1.00 0.00 N ATOM 45 CA VAL A 4 -2.674 -8.512 0.904 1.00 0.00 C ATOM 46 C VAL A 4 -3.194 -9.536 -0.108 1.00 0.00 C ATOM 47 O VAL A 4 -4.276 -10.104 0.034 1.00 0.00 O ATOM 48 CB VAL A 4 -3.449 -8.615 2.242 1.00 0.00 C ATOM 49 CG1 VAL A 4 -2.737 -7.809 3.325 1.00 0.00 C ATOM 50 CG2 VAL A 4 -4.891 -8.141 2.074 1.00 0.00 C ATOM 0 H VAL A 4 -3.459 -6.568 0.733 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.630 -8.730 1.127 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.475 -9.661 2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.290 -7.889 4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.729 -8.199 3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.683 -6.763 3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.414 -8.223 3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.896 -7.102 1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.393 -8.760 1.330 1.00 0.00 H new ATOM 60 N CYS A 5 -2.412 -9.715 -1.160 1.00 0.00 N ATOM 61 CA CYS A 5 -2.737 -10.615 -2.261 1.00 0.00 C ATOM 62 C CYS A 5 -1.490 -10.831 -3.113 1.00 0.00 C ATOM 63 O CYS A 5 -0.950 -9.864 -3.653 1.00 0.00 O ATOM 64 CB CYS A 5 -3.843 -10.036 -3.160 1.00 0.00 C ATOM 65 SG CYS A 5 -5.345 -9.472 -2.297 1.00 0.00 S ATOM 0 H CYS A 5 -1.520 -9.234 -1.277 1.00 0.00 H new ATOM 0 HA CYS A 5 -3.091 -11.553 -1.834 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -3.430 -9.196 -3.719 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -4.128 -10.795 -3.889 1.00 0.00 H new ATOM 0 HG CYS A 5 -6.369 -10.152 -2.719 1.00 0.00 H new ATOM 70 N GLY A 6 -1.027 -12.076 -3.219 1.00 0.00 N ATOM 71 CA GLY A 6 0.107 -12.385 -4.083 1.00 0.00 C ATOM 72 C GLY A 6 -0.178 -12.041 -5.537 1.00 0.00 C ATOM 73 O GLY A 6 -0.558 -12.908 -6.327 1.00 0.00 O ATOM 0 H GLY A 6 -1.416 -12.878 -2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 6 0.983 -11.832 -3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.348 -13.445 -4.001 1.00 0.00 H new ATOM 77 N SER A 7 -0.022 -10.764 -5.882 1.00 0.00 N ATOM 78 CA SER A 7 -0.342 -10.277 -7.223 1.00 0.00 C ATOM 79 C SER A 7 0.562 -9.106 -7.626 1.00 0.00 C ATOM 80 O SER A 7 0.875 -8.933 -8.807 1.00 0.00 O ATOM 81 CB SER A 7 -1.812 -9.841 -7.275 1.00 0.00 C ATOM 82 OG SER A 7 -2.660 -10.849 -6.747 1.00 0.00 O ATOM 0 H SER A 7 0.326 -10.045 -5.248 1.00 0.00 H new ATOM 0 HA SER A 7 -0.172 -11.090 -7.929 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.942 -8.918 -6.709 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.095 -9.626 -8.305 1.00 0.00 H new ATOM 0 HG SER A 7 -3.129 -10.503 -5.959 1.00 0.00 H new ATOM 88 N GLY A 8 0.975 -8.303 -6.644 1.00 0.00 N ATOM 89 CA GLY A 8 1.785 -7.128 -6.926 1.00 0.00 C ATOM 90 C GLY A 8 0.942 -5.951 -7.377 1.00 0.00 C ATOM 91 O GLY A 8 1.339 -5.189 -8.258 1.00 0.00 O ATOM 0 H GLY A 8 0.762 -8.447 -5.657 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.345 -6.851 -6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.515 -7.368 -7.699 1.00 0.00 H new ATOM 95 N LYS A 9 -0.227 -5.804 -6.761 1.00 0.00 N ATOM 96 CA LYS A 9 -1.172 -4.742 -7.112 1.00 0.00 C ATOM 97 C LYS A 9 -1.520 -3.928 -5.875 1.00 0.00 C ATOM 98 O LYS A 9 -1.513 -4.452 -4.761 1.00 0.00 O ATOM 99 CB LYS A 9 -2.461 -5.337 -7.696 1.00 0.00 C ATOM 100 CG LYS A 9 -2.257 -6.205 -8.933 1.00 0.00 C ATOM 101 CD LYS A 9 -2.165 -5.380 -10.215 1.00 0.00 C ATOM 102 CE LYS A 9 -3.472 -4.652 -10.517 1.00 0.00 C ATOM 103 NZ LYS A 9 -3.443 -3.976 -11.840 1.00 0.00 N ATOM 0 H LYS A 9 -0.547 -6.413 -6.008 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.703 -4.101 -7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.951 -5.934 -6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.140 -4.522 -7.948 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.346 -6.792 -8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.082 -6.912 -9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.358 -4.654 -10.122 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.912 -6.033 -11.050 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.297 -5.364 -10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.664 -3.914 -9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.350 -3.495 -12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.673 -3.278 -11.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.286 -4.682 -12.587 1.00 0.00 H new ATOM 117 N THR A 10 -1.862 -2.667 -6.081 1.00 0.00 N ATOM 118 CA THR A 10 -2.211 -1.773 -4.980 1.00 0.00 C ATOM 119 C THR A 10 -3.546 -2.186 -4.363 1.00 0.00 C ATOM 120 O THR A 10 -4.217 -3.095 -4.866 1.00 0.00 O ATOM 121 CB THR A 10 -2.313 -0.306 -5.454 1.00 0.00 C ATOM 122 OG1 THR A 10 -3.413 -0.167 -6.361 1.00 0.00 O ATOM 123 CG2 THR A 10 -1.031 0.143 -6.146 1.00 0.00 C ATOM 0 H THR A 10 -1.907 -2.234 -7.004 1.00 0.00 H new ATOM 0 HA THR A 10 -1.417 -1.849 -4.237 1.00 0.00 H new ATOM 0 HB THR A 10 -2.469 0.321 -4.577 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.132 0.361 -7.137 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.135 1.179 -6.468 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.195 0.061 -5.452 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.845 -0.489 -7.014 1.00 0.00 H new ATOM 131 N TYR A 11 -3.936 -1.529 -3.277 1.00 0.00 N ATOM 132 CA TYR A 11 -5.233 -1.785 -2.666 1.00 0.00 C ATOM 133 C TYR A 11 -6.344 -1.456 -3.660 1.00 0.00 C ATOM 134 O TYR A 11 -7.237 -2.278 -3.906 1.00 0.00 O ATOM 135 CB TYR A 11 -5.403 -0.961 -1.380 1.00 0.00 C ATOM 136 CG TYR A 11 -6.744 -1.165 -0.696 1.00 0.00 C ATOM 137 CD1 TYR A 11 -7.072 -2.388 -0.120 1.00 0.00 C ATOM 138 CD2 TYR A 11 -7.687 -0.140 -0.634 1.00 0.00 C ATOM 139 CE1 TYR A 11 -8.292 -2.583 0.497 1.00 0.00 C ATOM 140 CE2 TYR A 11 -8.910 -0.331 -0.018 1.00 0.00 C ATOM 141 CZ TYR A 11 -9.207 -1.554 0.546 1.00 0.00 C ATOM 142 OH TYR A 11 -10.425 -1.753 1.158 1.00 0.00 O ATOM 0 H TYR A 11 -3.376 -0.819 -2.804 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.292 -2.840 -2.400 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.606 -1.223 -0.683 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -5.284 0.096 -1.618 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -6.360 -3.199 -0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.458 0.819 -1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.528 -3.539 0.940 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -9.629 0.474 0.021 1.00 0.00 H new ATOM 0 HH TYR A 11 -10.954 -0.930 1.108 1.00 0.00 H new ATOM 152 N ASP A 12 -6.248 -0.267 -4.257 1.00 0.00 N ATOM 153 CA ASP A 12 -7.260 0.230 -5.192 1.00 0.00 C ATOM 154 C ASP A 12 -7.305 -0.641 -6.441 1.00 0.00 C ATOM 155 O ASP A 12 -8.332 -1.230 -6.763 1.00 0.00 O ATOM 156 CB ASP A 12 -6.950 1.676 -5.616 1.00 0.00 C ATOM 157 CG ASP A 12 -6.551 2.571 -4.457 1.00 0.00 C ATOM 158 OD1 ASP A 12 -5.349 2.591 -4.109 1.00 0.00 O ATOM 159 OD2 ASP A 12 -7.426 3.260 -3.893 1.00 0.00 O ATOM 0 H ASP A 12 -5.471 0.376 -4.107 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.223 0.198 -4.682 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.146 1.667 -6.352 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.827 2.099 -6.107 1.00 0.00 H new ATOM 164 N ASP A 13 -6.160 -0.750 -7.109 1.00 0.00 N ATOM 165 CA ASP A 13 -6.064 -1.450 -8.393 1.00 0.00 C ATOM 166 C ASP A 13 -6.414 -2.926 -8.254 1.00 0.00 C ATOM 167 O ASP A 13 -6.805 -3.577 -9.224 1.00 0.00 O ATOM 168 CB ASP A 13 -4.652 -1.300 -8.979 1.00 0.00 C ATOM 169 CG ASP A 13 -4.392 0.095 -9.534 1.00 0.00 C ATOM 170 OD1 ASP A 13 -4.709 0.338 -10.717 1.00 0.00 O ATOM 171 OD2 ASP A 13 -3.875 0.957 -8.790 1.00 0.00 O ATOM 0 H ASP A 13 -5.276 -0.360 -6.781 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.786 -0.995 -9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.916 -1.522 -8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.512 -2.034 -9.772 1.00 0.00 H new ATOM 176 N CYS A 14 -6.255 -3.456 -7.052 1.00 0.00 N ATOM 177 CA CYS A 14 -6.560 -4.855 -6.789 1.00 0.00 C ATOM 178 C CYS A 14 -7.976 -5.022 -6.216 1.00 0.00 C ATOM 179 O CYS A 14 -8.930 -5.227 -6.960 1.00 0.00 O ATOM 180 CB CYS A 14 -5.513 -5.448 -5.842 1.00 0.00 C ATOM 181 SG CYS A 14 -5.878 -7.128 -5.259 1.00 0.00 S ATOM 0 H CYS A 14 -5.916 -2.938 -6.241 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.527 -5.397 -7.734 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.548 -5.456 -6.349 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.413 -4.792 -4.977 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.721 -7.071 -4.271 1.00 0.00 H new ATOM 186 N CYS A 15 -8.105 -4.933 -4.890 1.00 0.00 N ATOM 187 CA CYS A 15 -9.382 -5.189 -4.211 1.00 0.00 C ATOM 188 C CYS A 15 -10.386 -4.044 -4.377 1.00 0.00 C ATOM 189 O CYS A 15 -11.586 -4.258 -4.225 1.00 0.00 O ATOM 190 CB CYS A 15 -9.154 -5.482 -2.721 1.00 0.00 C ATOM 191 SG CYS A 15 -8.402 -7.112 -2.390 1.00 0.00 S ATOM 0 H CYS A 15 -7.340 -4.685 -4.262 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.817 -6.066 -4.691 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.513 -4.706 -2.303 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.109 -5.422 -2.199 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.142 -6.960 -2.109 1.00 0.00 H new ATOM 196 N GLY A 16 -9.894 -2.844 -4.692 1.00 0.00 N ATOM 197 CA GLY A 16 -10.718 -1.639 -4.613 1.00 0.00 C ATOM 198 C GLY A 16 -12.072 -1.737 -5.316 1.00 0.00 C ATOM 199 O GLY A 16 -13.105 -1.551 -4.673 1.00 0.00 O ATOM 0 H GLY A 16 -8.936 -2.682 -5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.887 -1.400 -3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.161 -0.807 -5.044 1.00 0.00 H new ATOM 203 N PRO A 17 -12.118 -2.064 -6.624 1.00 0.00 N ATOM 204 CA PRO A 17 -13.386 -2.129 -7.362 1.00 0.00 C ATOM 205 C PRO A 17 -14.275 -3.286 -6.898 1.00 0.00 C ATOM 206 O PRO A 17 -15.505 -3.227 -7.015 1.00 0.00 O ATOM 207 CB PRO A 17 -12.950 -2.312 -8.825 1.00 0.00 C ATOM 208 CG PRO A 17 -11.570 -2.877 -8.758 1.00 0.00 C ATOM 209 CD PRO A 17 -10.956 -2.351 -7.488 1.00 0.00 C ATOM 0 HA PRO A 17 -13.994 -1.238 -7.205 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.625 -2.984 -9.355 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -12.961 -1.362 -9.360 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.596 -3.967 -8.754 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.984 -2.575 -9.626 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.291 -3.084 -7.032 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.364 -1.455 -7.672 1.00 0.00 H new ATOM 217 N LEU A 18 -13.646 -4.329 -6.363 1.00 0.00 N ATOM 218 CA LEU A 18 -14.365 -5.509 -5.889 1.00 0.00 C ATOM 219 C LEU A 18 -15.048 -5.226 -4.550 1.00 0.00 C ATOM 220 O LEU A 18 -16.250 -5.442 -4.394 1.00 0.00 O ATOM 221 CB LEU A 18 -13.411 -6.711 -5.753 1.00 0.00 C ATOM 222 CG LEU A 18 -12.863 -7.298 -7.072 1.00 0.00 C ATOM 223 CD1 LEU A 18 -14.000 -7.612 -8.041 1.00 0.00 C ATOM 224 CD2 LEU A 18 -11.844 -6.362 -7.715 1.00 0.00 C ATOM 0 H LEU A 18 -12.634 -4.381 -6.246 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.131 -5.754 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.566 -6.409 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.932 -7.503 -5.216 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.352 -8.231 -6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.589 -8.024 -8.963 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.674 -8.338 -7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.549 -6.698 -8.266 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.478 -6.804 -8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.316 -5.404 -7.932 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.009 -6.208 -7.031 1.00 0.00 H new ATOM 236 N LEU A 19 -14.274 -4.716 -3.594 1.00 0.00 N ATOM 237 CA LEU A 19 -14.782 -4.430 -2.253 1.00 0.00 C ATOM 238 C LEU A 19 -15.702 -3.215 -2.263 1.00 0.00 C ATOM 239 O LEU A 19 -16.519 -3.041 -1.362 1.00 0.00 O ATOM 240 CB LEU A 19 -13.625 -4.230 -1.262 1.00 0.00 C ATOM 241 CG LEU A 19 -12.937 -5.526 -0.791 1.00 0.00 C ATOM 242 CD1 LEU A 19 -11.691 -5.209 0.030 1.00 0.00 C ATOM 243 CD2 LEU A 19 -13.907 -6.384 0.018 1.00 0.00 C ATOM 0 H LEU A 19 -13.288 -4.491 -3.724 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.366 -5.290 -1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.877 -3.588 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.003 -3.699 -0.388 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.631 -6.089 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.221 -6.138 0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.989 -4.640 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.971 -4.622 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.404 -7.295 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.245 -5.826 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.766 -6.645 -0.601 1.00 0.00 H new ATOM 255 N ALA A 20 -15.569 -2.376 -3.283 1.00 0.00 N ATOM 256 CA ALA A 20 -16.487 -1.258 -3.474 1.00 0.00 C ATOM 257 C ALA A 20 -17.816 -1.750 -4.053 1.00 0.00 C ATOM 258 O ALA A 20 -18.763 -0.975 -4.194 1.00 0.00 O ATOM 259 CB ALA A 20 -15.862 -0.204 -4.381 1.00 0.00 C ATOM 0 H ALA A 20 -14.837 -2.447 -3.989 1.00 0.00 H new ATOM 0 HA ALA A 20 -16.684 -0.802 -2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -16.560 0.623 -4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -14.942 0.166 -3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -15.636 -0.647 -5.351 1.00 0.00 H new ATOM 265 N ARG A 21 -17.871 -3.048 -4.386 1.00 0.00 N ATOM 266 CA ARG A 21 -19.063 -3.664 -4.980 1.00 0.00 C ATOM 267 C ARG A 21 -19.468 -2.949 -6.275 1.00 0.00 C ATOM 268 O ARG A 21 -20.611 -3.059 -6.723 1.00 0.00 O ATOM 269 CB ARG A 21 -20.249 -3.667 -3.987 1.00 0.00 C ATOM 270 CG ARG A 21 -20.214 -4.776 -2.928 1.00 0.00 C ATOM 271 CD ARG A 21 -19.175 -4.537 -1.834 1.00 0.00 C ATOM 272 NE ARG A 21 -19.331 -5.487 -0.722 1.00 0.00 N ATOM 273 CZ ARG A 21 -18.447 -5.658 0.269 1.00 0.00 C ATOM 274 NH1 ARG A 21 -17.330 -4.949 0.308 1.00 0.00 N ATOM 275 NH2 ARG A 21 -18.693 -6.528 1.239 1.00 0.00 N ATOM 0 H ARG A 21 -17.095 -3.696 -4.252 1.00 0.00 H new ATOM 0 HA ARG A 21 -18.808 -4.697 -5.217 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -20.279 -2.703 -3.479 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -21.176 -3.757 -4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -21.199 -4.862 -2.470 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -20.005 -5.728 -3.416 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -18.174 -4.630 -2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -19.269 -3.518 -1.459 1.00 0.00 H new ATOM 0 HE ARG A 21 -20.176 -6.058 -0.704 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.135 -4.264 -0.422 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.664 -5.088 1.068 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.558 -7.069 1.232 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.018 -6.656 1.993 1.00 0.00 H new ATOM 289 N THR A 22 -18.520 -2.242 -6.889 1.00 0.00 N ATOM 290 CA THR A 22 -18.814 -1.423 -8.063 1.00 0.00 C ATOM 291 C THR A 22 -18.473 -2.156 -9.364 1.00 0.00 C ATOM 292 O THR A 22 -18.971 -1.794 -10.433 1.00 0.00 O ATOM 293 CB THR A 22 -18.055 -0.070 -8.009 1.00 0.00 C ATOM 294 OG1 THR A 22 -18.479 0.788 -9.079 1.00 0.00 O ATOM 295 CG2 THR A 22 -16.544 -0.273 -8.092 1.00 0.00 C ATOM 0 H THR A 22 -17.544 -2.220 -6.593 1.00 0.00 H new ATOM 0 HA THR A 22 -19.886 -1.226 -8.050 1.00 0.00 H new ATOM 0 HB THR A 22 -18.290 0.396 -7.052 1.00 0.00 H new ATOM 0 HG1 THR A 22 -17.992 1.637 -9.030 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.044 0.695 -8.051 1.00 0.00 H new ATOM 0 HG22 THR A 22 -16.213 -0.888 -7.255 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.295 -0.771 -9.029 1.00 0.00 H new ATOM 303 N ARG A 23 -17.636 -3.187 -9.273 1.00 0.00 N ATOM 304 CA ARG A 23 -17.206 -3.931 -10.457 1.00 0.00 C ATOM 305 C ARG A 23 -17.161 -5.429 -10.176 1.00 0.00 C ATOM 306 O ARG A 23 -16.759 -5.854 -9.092 1.00 0.00 O ATOM 307 CB ARG A 23 -15.816 -3.459 -10.914 1.00 0.00 C ATOM 308 CG ARG A 23 -15.276 -4.224 -12.122 1.00 0.00 C ATOM 309 CD ARG A 23 -13.837 -3.844 -12.455 1.00 0.00 C ATOM 310 NE ARG A 23 -13.691 -2.424 -12.783 1.00 0.00 N ATOM 311 CZ ARG A 23 -12.548 -1.868 -13.197 1.00 0.00 C ATOM 312 NH1 ARG A 23 -11.468 -2.616 -13.382 1.00 0.00 N ATOM 313 NH2 ARG A 23 -12.489 -0.565 -13.443 1.00 0.00 N ATOM 0 H ARG A 23 -17.243 -3.526 -8.395 1.00 0.00 H new ATOM 0 HA ARG A 23 -17.932 -3.742 -11.247 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -15.864 -2.398 -11.159 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.115 -3.564 -10.085 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.330 -5.295 -11.924 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.910 -4.027 -12.986 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.196 -4.085 -11.607 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -13.492 -4.445 -13.296 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.510 -1.824 -12.690 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.507 -3.620 -13.208 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.598 -2.187 -13.698 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.318 0.016 -13.316 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.615 -0.145 -13.759 1.00 0.00 H new ATOM 327 N SER A 24 -17.587 -6.220 -11.155 1.00 0.00 N ATOM 328 CA SER A 24 -17.411 -7.664 -11.115 1.00 0.00 C ATOM 329 C SER A 24 -16.085 -8.022 -11.790 1.00 0.00 C ATOM 330 O SER A 24 -15.799 -7.539 -12.885 1.00 0.00 O ATOM 331 CB SER A 24 -18.592 -8.365 -11.803 1.00 0.00 C ATOM 332 OG SER A 24 -18.825 -7.846 -13.106 1.00 0.00 O ATOM 0 H SER A 24 -18.060 -5.880 -11.992 1.00 0.00 H new ATOM 0 HA SER A 24 -17.385 -8.005 -10.080 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.393 -9.435 -11.868 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.490 -8.244 -11.197 1.00 0.00 H new ATOM 0 HG SER A 24 -17.977 -7.549 -13.497 1.00 0.00 H new ATOM 338 N ALA A 25 -15.281 -8.851 -11.127 1.00 0.00 N ATOM 339 CA ALA A 25 -13.925 -9.167 -11.589 1.00 0.00 C ATOM 340 C ALA A 25 -13.898 -9.694 -13.026 1.00 0.00 C ATOM 341 O ALA A 25 -12.924 -9.480 -13.750 1.00 0.00 O ATOM 342 CB ALA A 25 -13.276 -10.174 -10.650 1.00 0.00 C ATOM 0 H ALA A 25 -15.545 -9.321 -10.261 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.359 -8.236 -11.581 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.270 -10.403 -11.001 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.223 -9.754 -9.646 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.870 -11.088 -10.630 1.00 0.00 H new ATOM 348 N ALA A 26 -14.957 -10.406 -13.417 1.00 0.00 N ATOM 349 CA ALA A 26 -15.068 -10.980 -14.764 1.00 0.00 C ATOM 350 C ALA A 26 -13.960 -12.006 -15.040 1.00 0.00 C ATOM 351 O ALA A 26 -13.795 -12.466 -16.169 1.00 0.00 O ATOM 352 CB ALA A 26 -15.063 -9.875 -15.820 1.00 0.00 C ATOM 0 H ALA A 26 -15.757 -10.601 -12.816 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.019 -11.509 -14.819 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.146 -10.319 -16.812 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -15.907 -9.206 -15.650 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -14.133 -9.311 -15.752 1.00 0.00 H new ATOM 358 N SER A 27 -13.233 -12.385 -13.991 1.00 0.00 N ATOM 359 CA SER A 27 -12.157 -13.365 -14.095 1.00 0.00 C ATOM 360 C SER A 27 -12.044 -14.138 -12.778 1.00 0.00 C ATOM 361 O SER A 27 -12.067 -13.533 -11.701 1.00 0.00 O ATOM 362 CB SER A 27 -10.829 -12.664 -14.423 1.00 0.00 C ATOM 363 OG SER A 27 -9.753 -13.588 -14.479 1.00 0.00 O ATOM 0 H SER A 27 -13.373 -12.022 -13.048 1.00 0.00 H new ATOM 0 HA SER A 27 -12.382 -14.064 -14.901 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.916 -12.147 -15.378 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.620 -11.906 -13.668 1.00 0.00 H new ATOM 0 HG SER A 27 -8.923 -13.112 -14.691 1.00 0.00 H new ATOM 369 N PRO A 28 -11.929 -15.483 -12.842 1.00 0.00 N ATOM 370 CA PRO A 28 -11.871 -16.336 -11.646 1.00 0.00 C ATOM 371 C PRO A 28 -10.720 -15.952 -10.712 1.00 0.00 C ATOM 372 O PRO A 28 -10.920 -15.771 -9.509 1.00 0.00 O ATOM 373 CB PRO A 28 -11.676 -17.758 -12.212 1.00 0.00 C ATOM 374 CG PRO A 28 -11.214 -17.562 -13.620 1.00 0.00 C ATOM 375 CD PRO A 28 -11.845 -16.278 -14.083 1.00 0.00 C ATOM 0 HA PRO A 28 -12.769 -16.239 -11.035 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.941 -18.315 -11.631 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.606 -18.326 -12.179 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.127 -17.504 -13.670 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.518 -18.397 -14.251 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.239 -15.781 -14.841 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.828 -16.447 -14.522 1.00 0.00 H new ATOM 383 N GLU A 29 -9.520 -15.806 -11.273 1.00 0.00 N ATOM 384 CA GLU A 29 -8.333 -15.477 -10.483 1.00 0.00 C ATOM 385 C GLU A 29 -8.418 -14.047 -9.944 1.00 0.00 C ATOM 386 O GLU A 29 -8.097 -13.792 -8.781 1.00 0.00 O ATOM 387 CB GLU A 29 -7.060 -15.649 -11.324 1.00 0.00 C ATOM 388 CG GLU A 29 -7.014 -14.744 -12.549 1.00 0.00 C ATOM 389 CD GLU A 29 -5.695 -14.824 -13.301 1.00 0.00 C ATOM 390 OE1 GLU A 29 -4.634 -14.632 -12.670 1.00 0.00 O ATOM 391 OE2 GLU A 29 -5.717 -15.054 -14.527 1.00 0.00 O ATOM 0 H GLU A 29 -9.344 -15.910 -12.272 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.290 -16.164 -9.638 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.191 -15.445 -10.699 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.985 -16.688 -11.646 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.827 -15.014 -13.223 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.186 -13.713 -12.239 1.00 0.00 H new ATOM 398 N ALA A 30 -8.869 -13.122 -10.794 1.00 0.00 N ATOM 399 CA ALA A 30 -8.989 -11.715 -10.415 1.00 0.00 C ATOM 400 C ALA A 30 -9.970 -11.556 -9.260 1.00 0.00 C ATOM 401 O ALA A 30 -9.802 -10.700 -8.387 1.00 0.00 O ATOM 402 CB ALA A 30 -9.429 -10.875 -11.610 1.00 0.00 C ATOM 0 H ALA A 30 -9.157 -13.324 -11.751 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.011 -11.362 -10.088 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.513 -9.831 -11.309 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.693 -10.965 -12.409 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.396 -11.229 -11.967 1.00 0.00 H new ATOM 408 N LEU A 31 -10.993 -12.395 -9.258 1.00 0.00 N ATOM 409 CA LEU A 31 -11.977 -12.400 -8.189 1.00 0.00 C ATOM 410 C LEU A 31 -11.377 -13.073 -6.956 1.00 0.00 C ATOM 411 O LEU A 31 -11.499 -12.572 -5.837 1.00 0.00 O ATOM 412 CB LEU A 31 -13.247 -13.138 -8.658 1.00 0.00 C ATOM 413 CG LEU A 31 -14.564 -12.733 -7.968 1.00 0.00 C ATOM 414 CD1 LEU A 31 -15.741 -13.434 -8.625 1.00 0.00 C ATOM 415 CD2 LEU A 31 -14.531 -13.034 -6.471 1.00 0.00 C ATOM 0 H LEU A 31 -11.164 -13.085 -9.990 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.252 -11.378 -7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.359 -12.979 -9.730 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -13.097 -14.207 -8.508 1.00 0.00 H new ATOM 0 HG LEU A 31 -14.683 -11.656 -8.085 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -16.665 -13.138 -8.127 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -15.790 -13.154 -9.677 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.614 -14.513 -8.543 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.477 -12.735 -6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.377 -14.102 -6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.715 -12.480 -6.006 1.00 0.00 H new ATOM 427 N MET A 32 -10.697 -14.191 -7.187 1.00 0.00 N ATOM 428 CA MET A 32 -10.155 -15.016 -6.110 1.00 0.00 C ATOM 429 C MET A 32 -9.125 -14.255 -5.275 1.00 0.00 C ATOM 430 O MET A 32 -9.227 -14.219 -4.048 1.00 0.00 O ATOM 431 CB MET A 32 -9.538 -16.301 -6.687 1.00 0.00 C ATOM 432 CG MET A 32 -9.001 -17.270 -5.636 1.00 0.00 C ATOM 433 SD MET A 32 -7.481 -16.696 -4.851 1.00 0.00 S ATOM 434 CE MET A 32 -6.353 -16.694 -6.244 1.00 0.00 C ATOM 0 H MET A 32 -10.506 -14.551 -8.122 1.00 0.00 H new ATOM 0 HA MET A 32 -10.979 -15.281 -5.447 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.291 -16.814 -7.286 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.726 -16.029 -7.361 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.762 -17.424 -4.871 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.818 -18.238 -6.103 1.00 0.00 H new ATOM 0 HE1 MET A 32 -5.655 -17.526 -6.148 1.00 0.00 H new ATOM 0 HE2 MET A 32 -6.918 -16.799 -7.170 1.00 0.00 H new ATOM 0 HE3 MET A 32 -5.799 -15.756 -6.262 1.00 0.00 H new ATOM 444 N ARG A 33 -8.146 -13.628 -5.930 1.00 0.00 N ATOM 445 CA ARG A 33 -7.066 -12.963 -5.198 1.00 0.00 C ATOM 446 C ARG A 33 -7.590 -11.725 -4.471 1.00 0.00 C ATOM 447 O ARG A 33 -6.989 -11.260 -3.502 1.00 0.00 O ATOM 448 CB ARG A 33 -5.861 -12.635 -6.114 1.00 0.00 C ATOM 449 CG ARG A 33 -5.765 -11.197 -6.643 1.00 0.00 C ATOM 450 CD ARG A 33 -6.787 -10.883 -7.732 1.00 0.00 C ATOM 451 NE ARG A 33 -6.298 -9.837 -8.642 1.00 0.00 N ATOM 452 CZ ARG A 33 -7.027 -8.814 -9.097 1.00 0.00 C ATOM 453 NH1 ARG A 33 -8.271 -8.631 -8.681 1.00 0.00 N ATOM 454 NH2 ARG A 33 -6.505 -7.965 -9.971 1.00 0.00 N ATOM 0 H ARG A 33 -8.078 -13.567 -6.946 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.696 -13.658 -4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.946 -12.857 -5.564 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.891 -13.310 -6.969 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.903 -10.503 -5.814 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.762 -11.028 -7.036 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.006 -11.788 -8.299 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.722 -10.560 -7.274 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.327 -9.897 -8.950 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.683 -9.275 -8.006 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.817 -7.846 -9.036 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.547 -8.093 -10.296 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.062 -7.184 -10.318 1.00 0.00 H new ATOM 468 N SER A 34 -8.707 -11.188 -4.952 1.00 0.00 N ATOM 469 CA SER A 34 -9.408 -10.118 -4.252 1.00 0.00 C ATOM 470 C SER A 34 -10.201 -10.698 -3.079 1.00 0.00 C ATOM 471 O SER A 34 -10.298 -10.088 -2.011 1.00 0.00 O ATOM 472 CB SER A 34 -10.346 -9.381 -5.213 1.00 0.00 C ATOM 473 OG SER A 34 -9.636 -8.898 -6.343 1.00 0.00 O ATOM 0 H SER A 34 -9.147 -11.477 -5.826 1.00 0.00 H new ATOM 0 HA SER A 34 -8.676 -9.407 -3.868 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.141 -10.052 -5.538 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.823 -8.549 -4.695 1.00 0.00 H new ATOM 0 HG SER A 34 -10.237 -8.861 -7.116 1.00 0.00 H new ATOM 479 N ARG A 35 -10.740 -11.896 -3.296 1.00 0.00 N ATOM 480 CA ARG A 35 -11.583 -12.577 -2.317 1.00 0.00 C ATOM 481 C ARG A 35 -10.759 -12.952 -1.083 1.00 0.00 C ATOM 482 O ARG A 35 -11.213 -12.802 0.051 1.00 0.00 O ATOM 483 CB ARG A 35 -12.208 -13.827 -2.965 1.00 0.00 C ATOM 484 CG ARG A 35 -13.489 -14.314 -2.297 1.00 0.00 C ATOM 485 CD ARG A 35 -14.072 -15.530 -3.013 1.00 0.00 C ATOM 486 NE ARG A 35 -15.411 -15.871 -2.520 1.00 0.00 N ATOM 487 CZ ARG A 35 -15.724 -17.015 -1.905 1.00 0.00 C ATOM 488 NH1 ARG A 35 -14.788 -17.927 -1.663 1.00 0.00 N ATOM 489 NH2 ARG A 35 -16.975 -17.241 -1.523 1.00 0.00 N ATOM 0 H ARG A 35 -10.604 -12.423 -4.159 1.00 0.00 H new ATOM 0 HA ARG A 35 -12.384 -11.911 -1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.419 -13.610 -4.012 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.475 -14.634 -2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -13.283 -14.568 -1.257 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -14.224 -13.509 -2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -14.120 -15.331 -4.084 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.408 -16.383 -2.877 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.155 -15.187 -2.656 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.823 -17.756 -1.947 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.034 -18.798 -1.193 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.696 -16.542 -1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.215 -18.114 -1.053 1.00 0.00 H new ATOM 503 N TYR A 36 -9.538 -13.427 -1.325 1.00 0.00 N ATOM 504 CA TYR A 36 -8.594 -13.751 -0.253 1.00 0.00 C ATOM 505 C TYR A 36 -8.401 -12.554 0.678 1.00 0.00 C ATOM 506 O TYR A 36 -8.424 -12.691 1.904 1.00 0.00 O ATOM 507 CB TYR A 36 -7.241 -14.174 -0.857 1.00 0.00 C ATOM 508 CG TYR A 36 -6.087 -14.182 0.136 1.00 0.00 C ATOM 509 CD1 TYR A 36 -5.872 -15.264 0.984 1.00 0.00 C ATOM 510 CD2 TYR A 36 -5.214 -13.100 0.224 1.00 0.00 C ATOM 511 CE1 TYR A 36 -4.824 -15.265 1.887 1.00 0.00 C ATOM 512 CE2 TYR A 36 -4.166 -13.096 1.125 1.00 0.00 C ATOM 513 CZ TYR A 36 -3.976 -14.179 1.954 1.00 0.00 C ATOM 514 OH TYR A 36 -2.930 -14.180 2.851 1.00 0.00 O ATOM 0 H TYR A 36 -9.176 -13.598 -2.263 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.001 -14.577 0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.343 -15.171 -1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.995 -13.499 -1.677 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.534 -16.116 0.936 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.359 -12.248 -0.424 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.670 -16.113 2.537 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.500 -12.248 1.179 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.429 -13.342 2.770 1.00 0.00 H new ATOM 524 N ALA A 37 -8.222 -11.382 0.079 1.00 0.00 N ATOM 525 CA ALA A 37 -7.958 -10.162 0.830 1.00 0.00 C ATOM 526 C ALA A 37 -9.117 -9.820 1.754 1.00 0.00 C ATOM 527 O ALA A 37 -8.910 -9.304 2.848 1.00 0.00 O ATOM 528 CB ALA A 37 -7.679 -9.006 -0.117 1.00 0.00 C ATOM 0 H ALA A 37 -8.255 -11.252 -0.932 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.076 -10.334 1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.484 -8.102 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.809 -9.240 -0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.544 -8.846 -0.761 1.00 0.00 H new ATOM 534 N ALA A 38 -10.334 -10.121 1.312 1.00 0.00 N ATOM 535 CA ALA A 38 -11.526 -9.825 2.099 1.00 0.00 C ATOM 536 C ALA A 38 -11.507 -10.594 3.420 1.00 0.00 C ATOM 537 O ALA A 38 -12.010 -10.111 4.433 1.00 0.00 O ATOM 538 CB ALA A 38 -12.785 -10.140 1.303 1.00 0.00 C ATOM 0 H ALA A 38 -10.521 -10.569 0.415 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.529 -8.760 2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.664 -9.913 1.907 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.802 -9.536 0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.792 -11.197 1.036 1.00 0.00 H new ATOM 544 N TYR A 39 -10.908 -11.785 3.408 1.00 0.00 N ATOM 545 CA TYR A 39 -10.750 -12.577 4.629 1.00 0.00 C ATOM 546 C TYR A 39 -9.777 -11.893 5.589 1.00 0.00 C ATOM 547 O TYR A 39 -10.033 -11.802 6.792 1.00 0.00 O ATOM 548 CB TYR A 39 -10.267 -14.001 4.306 1.00 0.00 C ATOM 549 CG TYR A 39 -11.393 -15.010 4.191 1.00 0.00 C ATOM 550 CD1 TYR A 39 -12.103 -15.159 3.011 1.00 0.00 C ATOM 551 CD2 TYR A 39 -11.751 -15.805 5.274 1.00 0.00 C ATOM 552 CE1 TYR A 39 -13.137 -16.069 2.913 1.00 0.00 C ATOM 553 CE2 TYR A 39 -12.784 -16.716 5.183 1.00 0.00 C ATOM 554 CZ TYR A 39 -13.475 -16.843 3.999 1.00 0.00 C ATOM 555 OH TYR A 39 -14.504 -17.750 3.900 1.00 0.00 O ATOM 0 H TYR A 39 -10.525 -12.222 2.570 1.00 0.00 H new ATOM 0 HA TYR A 39 -11.725 -12.649 5.110 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -9.709 -13.983 3.370 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -9.576 -14.327 5.083 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -11.844 -14.554 2.155 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -11.211 -15.708 6.204 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -13.680 -16.173 1.985 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -13.048 -17.325 6.035 1.00 0.00 H new ATOM 0 HH TYR A 39 -15.361 -17.285 3.998 1.00 0.00 H new ATOM 565 N ALA A 40 -8.663 -11.408 5.045 1.00 0.00 N ATOM 566 CA ALA A 40 -7.659 -10.700 5.838 1.00 0.00 C ATOM 567 C ALA A 40 -8.219 -9.370 6.341 1.00 0.00 C ATOM 568 O ALA A 40 -7.894 -8.915 7.442 1.00 0.00 O ATOM 569 CB ALA A 40 -6.395 -10.475 5.014 1.00 0.00 C ATOM 0 H ALA A 40 -8.432 -11.492 4.055 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.401 -11.312 6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.657 -9.947 5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.988 -11.437 4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.636 -9.880 4.133 1.00 0.00 H new ATOM 575 N LEU A 41 -9.082 -8.765 5.528 1.00 0.00 N ATOM 576 CA LEU A 41 -9.735 -7.504 5.871 1.00 0.00 C ATOM 577 C LEU A 41 -11.053 -7.768 6.602 1.00 0.00 C ATOM 578 O LEU A 41 -11.868 -6.862 6.779 1.00 0.00 O ATOM 579 CB LEU A 41 -9.978 -6.670 4.603 1.00 0.00 C ATOM 580 CG LEU A 41 -8.710 -6.299 3.813 1.00 0.00 C ATOM 581 CD1 LEU A 41 -9.067 -5.495 2.566 1.00 0.00 C ATOM 582 CD2 LEU A 41 -7.726 -5.527 4.693 1.00 0.00 C ATOM 0 H LEU A 41 -9.348 -9.134 4.615 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.081 -6.940 6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.648 -7.224 3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.494 -5.752 4.884 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.226 -7.223 3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.156 -5.243 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.720 -6.088 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.580 -4.579 2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.838 -5.276 4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.198 -4.611 5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.440 -6.143 5.546 1.00 0.00 H new ATOM 594 N LYS A 42 -11.216 -9.022 7.049 1.00 0.00 N ATOM 595 CA LYS A 42 -12.384 -9.491 7.812 1.00 0.00 C ATOM 596 C LYS A 42 -13.715 -8.931 7.292 1.00 0.00 C ATOM 597 O LYS A 42 -14.650 -8.698 8.063 1.00 0.00 O ATOM 598 CB LYS A 42 -12.225 -9.262 9.342 1.00 0.00 C ATOM 599 CG LYS A 42 -11.882 -7.837 9.796 1.00 0.00 C ATOM 600 CD LYS A 42 -10.388 -7.522 9.673 1.00 0.00 C ATOM 601 CE LYS A 42 -9.515 -8.475 10.485 1.00 0.00 C ATOM 602 NZ LYS A 42 -8.069 -8.248 10.223 1.00 0.00 N ATOM 0 H LYS A 42 -10.525 -9.755 6.887 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.421 -10.568 7.648 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.154 -9.559 9.828 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.446 -9.932 9.707 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.450 -7.123 9.200 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.193 -7.705 10.832 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.096 -7.573 8.624 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.208 -6.499 10.005 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.719 -8.340 11.547 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.773 -9.505 10.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.504 -8.877 10.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.861 -8.450 9.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.829 -7.258 10.433 1.00 0.00 H new ATOM 616 N ASP A 43 -13.803 -8.752 5.975 1.00 0.00 N ATOM 617 CA ASP A 43 -15.068 -8.428 5.315 1.00 0.00 C ATOM 618 C ASP A 43 -15.607 -9.685 4.638 1.00 0.00 C ATOM 619 O ASP A 43 -15.519 -9.849 3.417 1.00 0.00 O ATOM 620 CB ASP A 43 -14.898 -7.287 4.291 1.00 0.00 C ATOM 621 CG ASP A 43 -16.199 -6.916 3.572 1.00 0.00 C ATOM 622 OD1 ASP A 43 -17.295 -7.273 4.062 1.00 0.00 O ATOM 623 OD2 ASP A 43 -16.134 -6.249 2.517 1.00 0.00 O ATOM 0 H ASP A 43 -13.008 -8.826 5.340 1.00 0.00 H new ATOM 0 HA ASP A 43 -15.778 -8.079 6.065 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -14.510 -6.406 4.801 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -14.154 -7.581 3.551 1.00 0.00 H new ATOM 628 N PHE A 44 -16.134 -10.593 5.454 1.00 0.00 N ATOM 629 CA PHE A 44 -16.611 -11.881 4.965 1.00 0.00 C ATOM 630 C PHE A 44 -17.903 -11.728 4.162 1.00 0.00 C ATOM 631 O PHE A 44 -18.345 -12.671 3.500 1.00 0.00 O ATOM 632 CB PHE A 44 -16.793 -12.877 6.125 1.00 0.00 C ATOM 633 CG PHE A 44 -17.780 -12.450 7.187 1.00 0.00 C ATOM 634 CD1 PHE A 44 -19.138 -12.715 7.046 1.00 0.00 C ATOM 635 CD2 PHE A 44 -17.347 -11.799 8.334 1.00 0.00 C ATOM 636 CE1 PHE A 44 -20.038 -12.338 8.024 1.00 0.00 C ATOM 637 CE2 PHE A 44 -18.245 -11.419 9.313 1.00 0.00 C ATOM 638 CZ PHE A 44 -19.591 -11.689 9.158 1.00 0.00 C ATOM 0 H PHE A 44 -16.241 -10.459 6.459 1.00 0.00 H new ATOM 0 HA PHE A 44 -15.852 -12.282 4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -17.116 -13.834 5.715 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -15.824 -13.043 6.597 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -19.493 -13.222 6.161 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.296 -11.587 8.463 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -21.090 -12.551 7.902 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -17.895 -10.911 10.199 1.00 0.00 H new ATOM 0 HZ PHE A 44 -20.293 -11.393 9.923 1.00 0.00 H new ATOM 648 N ASP A 45 -18.502 -10.538 4.222 1.00 0.00 N ATOM 649 CA ASP A 45 -19.703 -10.234 3.442 1.00 0.00 C ATOM 650 C ASP A 45 -19.413 -10.379 1.951 1.00 0.00 C ATOM 651 O ASP A 45 -20.134 -11.075 1.232 1.00 0.00 O ATOM 652 CB ASP A 45 -20.197 -8.813 3.745 1.00 0.00 C ATOM 653 CG ASP A 45 -21.361 -8.387 2.859 1.00 0.00 C ATOM 654 OD1 ASP A 45 -22.524 -8.693 3.205 1.00 0.00 O ATOM 655 OD2 ASP A 45 -21.121 -7.738 1.817 1.00 0.00 O ATOM 0 H ASP A 45 -18.174 -9.767 4.804 1.00 0.00 H new ATOM 0 HA ASP A 45 -20.484 -10.941 3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -20.502 -8.755 4.790 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -19.373 -8.112 3.615 1.00 0.00 H new ATOM 660 N TYR A 46 -18.331 -9.738 1.504 1.00 0.00 N ATOM 661 CA TYR A 46 -17.911 -9.805 0.103 1.00 0.00 C ATOM 662 C TYR A 46 -17.725 -11.260 -0.331 1.00 0.00 C ATOM 663 O TYR A 46 -18.004 -11.621 -1.477 1.00 0.00 O ATOM 664 CB TYR A 46 -16.613 -9.003 -0.111 1.00 0.00 C ATOM 665 CG TYR A 46 -15.984 -9.193 -1.483 1.00 0.00 C ATOM 666 CD1 TYR A 46 -16.473 -8.523 -2.600 1.00 0.00 C ATOM 667 CD2 TYR A 46 -14.898 -10.047 -1.656 1.00 0.00 C ATOM 668 CE1 TYR A 46 -15.899 -8.702 -3.846 1.00 0.00 C ATOM 669 CE2 TYR A 46 -14.321 -10.227 -2.896 1.00 0.00 C ATOM 670 CZ TYR A 46 -14.824 -9.555 -3.986 1.00 0.00 C ATOM 671 OH TYR A 46 -14.247 -9.737 -5.223 1.00 0.00 O ATOM 0 H TYR A 46 -17.728 -9.165 2.094 1.00 0.00 H new ATOM 0 HA TYR A 46 -18.692 -9.361 -0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -16.825 -7.944 0.036 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -15.890 -9.293 0.652 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -17.313 -7.853 -2.493 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -14.500 -10.578 -0.804 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -16.291 -8.177 -4.705 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -13.478 -10.892 -3.011 1.00 0.00 H new ATOM 0 HH TYR A 46 -13.501 -10.368 -5.146 1.00 0.00 H new ATOM 681 N ILE A 47 -17.266 -12.090 0.599 1.00 0.00 N ATOM 682 CA ILE A 47 -17.060 -13.510 0.336 1.00 0.00 C ATOM 683 C ILE A 47 -18.381 -14.183 -0.005 1.00 0.00 C ATOM 684 O ILE A 47 -18.514 -14.837 -1.042 1.00 0.00 O ATOM 685 CB ILE A 47 -16.444 -14.228 1.558 1.00 0.00 C ATOM 686 CG1 ILE A 47 -15.162 -13.511 2.008 1.00 0.00 C ATOM 687 CG2 ILE A 47 -16.174 -15.700 1.238 1.00 0.00 C ATOM 688 CD1 ILE A 47 -14.114 -13.400 0.926 1.00 0.00 C ATOM 0 H ILE A 47 -17.028 -11.802 1.548 1.00 0.00 H new ATOM 0 HA ILE A 47 -16.371 -13.585 -0.506 1.00 0.00 H new ATOM 0 HB ILE A 47 -17.157 -14.192 2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -15.419 -12.510 2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -14.738 -14.045 2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -15.740 -16.188 2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -17.110 -16.193 0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -15.479 -15.769 0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.239 -12.882 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.827 -14.398 0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -14.519 -12.840 0.083 1.00 0.00 H new ATOM 700 N VAL A 48 -19.349 -14.013 0.886 1.00 0.00 N ATOM 701 CA VAL A 48 -20.679 -14.588 0.709 1.00 0.00 C ATOM 702 C VAL A 48 -21.292 -14.137 -0.619 1.00 0.00 C ATOM 703 O VAL A 48 -21.830 -14.952 -1.371 1.00 0.00 O ATOM 704 CB VAL A 48 -21.625 -14.198 1.874 1.00 0.00 C ATOM 705 CG1 VAL A 48 -22.994 -14.854 1.705 1.00 0.00 C ATOM 706 CG2 VAL A 48 -21.008 -14.573 3.221 1.00 0.00 C ATOM 0 H VAL A 48 -19.237 -13.477 1.746 1.00 0.00 H new ATOM 0 HA VAL A 48 -20.564 -15.672 0.703 1.00 0.00 H new ATOM 0 HB VAL A 48 -21.762 -13.117 1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -23.640 -14.566 2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -23.441 -14.527 0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -22.879 -15.938 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -21.689 -14.290 4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -20.834 -15.648 3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -20.061 -14.048 3.346 1.00 0.00 H new ATOM 716 N GLU A 49 -21.178 -12.843 -0.908 1.00 0.00 N ATOM 717 CA GLU A 49 -21.717 -12.271 -2.141 1.00 0.00 C ATOM 718 C GLU A 49 -21.118 -12.946 -3.374 1.00 0.00 C ATOM 719 O GLU A 49 -21.814 -13.192 -4.359 1.00 0.00 O ATOM 720 CB GLU A 49 -21.446 -10.762 -2.197 1.00 0.00 C ATOM 721 CG GLU A 49 -22.156 -9.968 -1.109 1.00 0.00 C ATOM 722 CD GLU A 49 -23.664 -10.172 -1.125 1.00 0.00 C ATOM 723 OE1 GLU A 49 -24.302 -9.849 -2.150 1.00 0.00 O ATOM 724 OE2 GLU A 49 -24.218 -10.662 -0.116 1.00 0.00 O ATOM 0 H GLU A 49 -20.714 -12.167 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 49 -22.793 -12.444 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -20.372 -10.592 -2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -21.756 -10.383 -3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -21.764 -10.262 -0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -21.935 -8.908 -1.235 1.00 0.00 H new ATOM 731 N THR A 50 -19.828 -13.256 -3.307 1.00 0.00 N ATOM 732 CA THR A 50 -19.117 -13.847 -4.437 1.00 0.00 C ATOM 733 C THR A 50 -19.178 -15.376 -4.402 1.00 0.00 C ATOM 734 O THR A 50 -18.373 -16.057 -5.042 1.00 0.00 O ATOM 735 CB THR A 50 -17.644 -13.378 -4.462 1.00 0.00 C ATOM 736 OG1 THR A 50 -17.024 -13.620 -3.189 1.00 0.00 O ATOM 737 CG2 THR A 50 -17.554 -11.892 -4.796 1.00 0.00 C ATOM 0 H THR A 50 -19.251 -13.108 -2.479 1.00 0.00 H new ATOM 0 HA THR A 50 -19.613 -13.508 -5.346 1.00 0.00 H new ATOM 0 HB THR A 50 -17.122 -13.945 -5.233 1.00 0.00 H new ATOM 0 HG1 THR A 50 -17.291 -12.920 -2.557 1.00 0.00 H new ATOM 0 HG21 THR A 50 -16.508 -11.584 -4.808 1.00 0.00 H new ATOM 0 HG22 THR A 50 -17.996 -11.712 -5.776 1.00 0.00 H new ATOM 0 HG23 THR A 50 -18.093 -11.317 -4.043 1.00 0.00 H new ATOM 745 N THR A 51 -20.144 -15.914 -3.664 1.00 0.00 N ATOM 746 CA THR A 51 -20.330 -17.355 -3.588 1.00 0.00 C ATOM 747 C THR A 51 -21.489 -17.799 -4.480 1.00 0.00 C ATOM 748 O THR A 51 -22.462 -17.061 -4.664 1.00 0.00 O ATOM 749 CB THR A 51 -20.611 -17.817 -2.147 1.00 0.00 C ATOM 750 OG1 THR A 51 -19.604 -17.296 -1.269 1.00 0.00 O ATOM 751 CG2 THR A 51 -20.630 -19.342 -2.066 1.00 0.00 C ATOM 0 H THR A 51 -20.809 -15.372 -3.111 1.00 0.00 H new ATOM 0 HA THR A 51 -19.402 -17.812 -3.931 1.00 0.00 H new ATOM 0 HB THR A 51 -21.588 -17.442 -1.843 1.00 0.00 H new ATOM 0 HG1 THR A 51 -19.459 -17.922 -0.529 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.830 -19.649 -1.040 1.00 0.00 H new ATOM 0 HG22 THR A 51 -21.410 -19.731 -2.720 1.00 0.00 H new ATOM 0 HG23 THR A 51 -19.663 -19.735 -2.381 1.00 0.00 H new ATOM 759 N ASP A 52 -21.363 -19.006 -5.022 1.00 0.00 N ATOM 760 CA ASP A 52 -22.398 -19.631 -5.844 1.00 0.00 C ATOM 761 C ASP A 52 -23.749 -19.583 -5.136 1.00 0.00 C ATOM 762 O ASP A 52 -23.816 -19.852 -3.941 1.00 0.00 O ATOM 763 CB ASP A 52 -22.015 -21.089 -6.097 1.00 0.00 C ATOM 764 CG ASP A 52 -22.875 -21.764 -7.150 1.00 0.00 C ATOM 765 OD1 ASP A 52 -24.010 -22.180 -6.825 1.00 0.00 O ATOM 766 OD2 ASP A 52 -22.417 -21.894 -8.304 1.00 0.00 O ATOM 0 H ASP A 52 -20.532 -19.585 -4.903 1.00 0.00 H new ATOM 0 HA ASP A 52 -22.478 -19.089 -6.786 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -20.971 -21.134 -6.407 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.094 -21.645 -5.163 1.00 0.00 H new ATOM 771 N PRO A 53 -24.840 -19.264 -5.858 1.00 0.00 N ATOM 772 CA PRO A 53 -26.184 -19.152 -5.271 1.00 0.00 C ATOM 773 C PRO A 53 -26.558 -20.367 -4.416 1.00 0.00 C ATOM 774 O PRO A 53 -27.141 -20.224 -3.338 1.00 0.00 O ATOM 775 CB PRO A 53 -27.117 -19.028 -6.496 1.00 0.00 C ATOM 776 CG PRO A 53 -26.267 -19.363 -7.682 1.00 0.00 C ATOM 777 CD PRO A 53 -24.862 -18.988 -7.301 1.00 0.00 C ATOM 0 HA PRO A 53 -26.255 -18.304 -4.590 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -27.964 -19.710 -6.415 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -27.525 -18.021 -6.578 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -26.336 -20.423 -7.925 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -26.593 -18.812 -8.564 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -24.123 -19.582 -7.839 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -24.648 -17.941 -7.517 1.00 0.00 H new ATOM 785 N GLU A 54 -26.197 -21.558 -4.888 1.00 0.00 N ATOM 786 CA GLU A 54 -26.549 -22.796 -4.196 1.00 0.00 C ATOM 787 C GLU A 54 -25.625 -23.043 -3.001 1.00 0.00 C ATOM 788 O GLU A 54 -26.067 -23.518 -1.953 1.00 0.00 O ATOM 789 CB GLU A 54 -26.503 -23.982 -5.170 1.00 0.00 C ATOM 790 CG GLU A 54 -27.528 -23.882 -6.297 1.00 0.00 C ATOM 791 CD GLU A 54 -27.429 -25.028 -7.292 1.00 0.00 C ATOM 792 OE1 GLU A 54 -26.620 -24.928 -8.239 1.00 0.00 O ATOM 793 OE2 GLU A 54 -28.160 -26.029 -7.140 1.00 0.00 O ATOM 0 H GLU A 54 -25.662 -21.692 -5.746 1.00 0.00 H new ATOM 0 HA GLU A 54 -27.566 -22.695 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -25.505 -24.049 -5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -26.673 -24.905 -4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -28.530 -23.865 -5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -27.390 -22.938 -6.824 1.00 0.00 H new ATOM 800 N ARG A 55 -24.346 -22.700 -3.155 1.00 0.00 N ATOM 801 CA ARG A 55 -23.359 -22.901 -2.086 1.00 0.00 C ATOM 802 C ARG A 55 -23.486 -21.791 -1.040 1.00 0.00 C ATOM 803 O ARG A 55 -23.128 -21.965 0.125 1.00 0.00 O ATOM 804 CB ARG A 55 -21.930 -22.908 -2.661 1.00 0.00 C ATOM 805 CG ARG A 55 -21.763 -23.759 -3.919 1.00 0.00 C ATOM 806 CD ARG A 55 -22.056 -25.234 -3.675 1.00 0.00 C ATOM 807 NE ARG A 55 -22.283 -25.958 -4.933 1.00 0.00 N ATOM 808 CZ ARG A 55 -21.440 -26.842 -5.474 1.00 0.00 C ATOM 809 NH1 ARG A 55 -20.255 -27.079 -4.921 1.00 0.00 N ATOM 810 NH2 ARG A 55 -21.780 -27.471 -6.591 1.00 0.00 N ATOM 0 H ARG A 55 -23.967 -22.283 -4.005 1.00 0.00 H new ATOM 0 HA ARG A 55 -23.553 -23.865 -1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -21.637 -21.883 -2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -21.245 -23.273 -1.896 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -22.429 -23.385 -4.697 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -20.745 -23.652 -4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -21.222 -25.687 -3.140 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -22.934 -25.330 -3.036 1.00 0.00 H new ATOM 0 HE ARG A 55 -23.152 -25.771 -5.433 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -19.980 -26.583 -4.073 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -19.621 -27.757 -5.344 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -22.680 -27.278 -7.031 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -21.142 -28.147 -7.010 1.00 0.00 H new ATOM 824 N ARG A 56 -24.026 -20.659 -1.477 1.00 0.00 N ATOM 825 CA ARG A 56 -24.128 -19.456 -0.656 1.00 0.00 C ATOM 826 C ARG A 56 -25.079 -19.672 0.518 1.00 0.00 C ATOM 827 O ARG A 56 -24.958 -19.018 1.556 1.00 0.00 O ATOM 828 CB ARG A 56 -24.588 -18.281 -1.535 1.00 0.00 C ATOM 829 CG ARG A 56 -24.713 -16.946 -0.810 1.00 0.00 C ATOM 830 CD ARG A 56 -24.835 -15.785 -1.794 1.00 0.00 C ATOM 831 NE ARG A 56 -25.977 -15.932 -2.703 1.00 0.00 N ATOM 832 CZ ARG A 56 -25.922 -15.713 -4.023 1.00 0.00 C ATOM 833 NH1 ARG A 56 -24.765 -15.443 -4.617 1.00 0.00 N ATOM 834 NH2 ARG A 56 -27.022 -15.795 -4.757 1.00 0.00 N ATOM 0 H ARG A 56 -24.408 -20.548 -2.416 1.00 0.00 H new ATOM 0 HA ARG A 56 -23.149 -19.225 -0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -23.884 -18.166 -2.359 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -25.554 -18.531 -1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -25.586 -16.965 -0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -23.842 -16.794 -0.172 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -24.935 -14.852 -1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -23.918 -15.711 -2.378 1.00 0.00 H new ATOM 0 HE ARG A 56 -26.871 -16.220 -2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -23.907 -15.401 -4.067 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -24.735 -15.278 -5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -27.913 -16.025 -4.317 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -26.978 -15.628 -5.762 1.00 0.00 H new ATOM 848 N ASP A 57 -26.010 -20.607 0.357 1.00 0.00 N ATOM 849 CA ASP A 57 -26.962 -20.931 1.418 1.00 0.00 C ATOM 850 C ASP A 57 -26.242 -21.582 2.595 1.00 0.00 C ATOM 851 O ASP A 57 -26.648 -21.438 3.749 1.00 0.00 O ATOM 852 CB ASP A 57 -28.060 -21.866 0.893 1.00 0.00 C ATOM 853 CG ASP A 57 -29.173 -22.080 1.911 1.00 0.00 C ATOM 854 OD1 ASP A 57 -30.093 -21.234 1.975 1.00 0.00 O ATOM 855 OD2 ASP A 57 -29.137 -23.085 2.651 1.00 0.00 O ATOM 0 H ASP A 57 -26.127 -21.154 -0.496 1.00 0.00 H new ATOM 0 HA ASP A 57 -27.426 -20.004 1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -28.482 -21.449 -0.021 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -27.620 -22.828 0.631 1.00 0.00 H new ATOM 860 N LEU A 58 -25.157 -22.289 2.288 1.00 0.00 N ATOM 861 CA LEU A 58 -24.360 -22.975 3.304 1.00 0.00 C ATOM 862 C LEU A 58 -23.528 -21.971 4.102 1.00 0.00 C ATOM 863 O LEU A 58 -23.129 -22.239 5.237 1.00 0.00 O ATOM 864 CB LEU A 58 -23.435 -24.008 2.642 1.00 0.00 C ATOM 865 CG LEU A 58 -24.142 -25.074 1.785 1.00 0.00 C ATOM 866 CD1 LEU A 58 -23.124 -25.991 1.110 1.00 0.00 C ATOM 867 CD2 LEU A 58 -25.125 -25.883 2.630 1.00 0.00 C ATOM 0 H LEU A 58 -24.807 -22.403 1.337 1.00 0.00 H new ATOM 0 HA LEU A 58 -25.039 -23.487 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -22.718 -23.479 2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -22.865 -24.513 3.422 1.00 0.00 H new ATOM 0 HG LEU A 58 -24.706 -24.563 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -23.647 -26.736 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -22.472 -25.400 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -22.526 -26.493 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -25.613 -26.630 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -24.587 -26.381 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -25.877 -25.216 3.052 1.00 0.00 H new ATOM 879 N PHE A 59 -23.274 -20.813 3.499 1.00 0.00 N ATOM 880 CA PHE A 59 -22.455 -19.778 4.122 1.00 0.00 C ATOM 881 C PHE A 59 -23.190 -19.102 5.275 1.00 0.00 C ATOM 882 O PHE A 59 -24.032 -18.223 5.065 1.00 0.00 O ATOM 883 CB PHE A 59 -22.018 -18.732 3.082 1.00 0.00 C ATOM 884 CG PHE A 59 -20.826 -19.151 2.258 1.00 0.00 C ATOM 885 CD1 PHE A 59 -20.765 -20.410 1.677 1.00 0.00 C ATOM 886 CD2 PHE A 59 -19.762 -18.280 2.071 1.00 0.00 C ATOM 887 CE1 PHE A 59 -19.668 -20.790 0.928 1.00 0.00 C ATOM 888 CE2 PHE A 59 -18.666 -18.655 1.322 1.00 0.00 C ATOM 889 CZ PHE A 59 -18.617 -19.911 0.750 1.00 0.00 C ATOM 0 H PHE A 59 -23.626 -20.567 2.574 1.00 0.00 H new ATOM 0 HA PHE A 59 -21.567 -20.262 4.528 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -22.855 -18.526 2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -21.783 -17.800 3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -21.584 -21.100 1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -19.792 -17.297 2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -19.632 -21.773 0.482 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -17.846 -17.966 1.183 1.00 0.00 H new ATOM 0 HZ PHE A 59 -17.759 -20.206 0.165 1.00 0.00 H new ATOM 899 N ASP A 60 -22.887 -19.543 6.489 1.00 0.00 N ATOM 900 CA ASP A 60 -23.370 -18.884 7.697 1.00 0.00 C ATOM 901 C ASP A 60 -22.393 -17.787 8.109 1.00 0.00 C ATOM 902 O ASP A 60 -21.193 -17.898 7.855 1.00 0.00 O ATOM 903 CB ASP A 60 -23.540 -19.895 8.839 1.00 0.00 C ATOM 904 CG ASP A 60 -23.819 -19.220 10.174 1.00 0.00 C ATOM 905 OD1 ASP A 60 -24.940 -18.705 10.364 1.00 0.00 O ATOM 906 OD2 ASP A 60 -22.908 -19.179 11.027 1.00 0.00 O ATOM 0 H ASP A 60 -22.304 -20.361 6.664 1.00 0.00 H new ATOM 0 HA ASP A 60 -24.344 -18.441 7.487 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -24.358 -20.574 8.600 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -22.637 -20.500 8.922 1.00 0.00 H new ATOM 911 N HIS A 61 -22.906 -16.737 8.744 1.00 0.00 N ATOM 912 CA HIS A 61 -22.090 -15.590 9.138 1.00 0.00 C ATOM 913 C HIS A 61 -20.950 -16.022 10.065 1.00 0.00 C ATOM 914 O HIS A 61 -19.779 -15.735 9.802 1.00 0.00 O ATOM 915 CB HIS A 61 -22.958 -14.529 9.832 1.00 0.00 C ATOM 916 CG HIS A 61 -24.097 -14.032 8.989 1.00 0.00 C ATOM 917 ND1 HIS A 61 -25.420 -14.141 9.364 1.00 0.00 N ATOM 918 CD2 HIS A 61 -24.104 -13.420 7.780 1.00 0.00 C ATOM 919 CE1 HIS A 61 -26.186 -13.621 8.423 1.00 0.00 C ATOM 920 NE2 HIS A 61 -25.414 -13.178 7.450 1.00 0.00 N ATOM 0 H HIS A 61 -23.890 -16.656 8.999 1.00 0.00 H new ATOM 0 HA HIS A 61 -21.656 -15.159 8.236 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -23.358 -14.947 10.756 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -22.329 -13.684 10.111 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -23.238 -13.169 7.185 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -27.264 -13.567 8.446 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -25.737 -12.729 6.593 1.00 0.00 H new ATOM 929 N ASP A 62 -21.303 -16.735 11.130 1.00 0.00 N ATOM 930 CA ASP A 62 -20.333 -17.164 12.138 1.00 0.00 C ATOM 931 C ASP A 62 -19.332 -18.146 11.543 1.00 0.00 C ATOM 932 O ASP A 62 -18.126 -18.034 11.766 1.00 0.00 O ATOM 933 CB ASP A 62 -21.048 -17.823 13.326 1.00 0.00 C ATOM 934 CG ASP A 62 -21.956 -16.868 14.085 1.00 0.00 C ATOM 935 OD1 ASP A 62 -22.894 -16.315 13.473 1.00 0.00 O ATOM 936 OD2 ASP A 62 -21.741 -16.673 15.301 1.00 0.00 O ATOM 0 H ASP A 62 -22.260 -17.031 11.320 1.00 0.00 H new ATOM 0 HA ASP A 62 -19.799 -16.279 12.484 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.638 -18.665 12.965 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -20.303 -18.227 14.011 1.00 0.00 H new ATOM 941 N VAL A 63 -19.845 -19.111 10.785 1.00 0.00 N ATOM 942 CA VAL A 63 -19.009 -20.132 10.156 1.00 0.00 C ATOM 943 C VAL A 63 -18.037 -19.503 9.158 1.00 0.00 C ATOM 944 O VAL A 63 -16.858 -19.862 9.110 1.00 0.00 O ATOM 945 CB VAL A 63 -19.865 -21.204 9.437 1.00 0.00 C ATOM 946 CG1 VAL A 63 -18.979 -22.230 8.732 1.00 0.00 C ATOM 947 CG2 VAL A 63 -20.806 -21.889 10.428 1.00 0.00 C ATOM 0 H VAL A 63 -20.841 -19.208 10.590 1.00 0.00 H new ATOM 0 HA VAL A 63 -18.443 -20.616 10.952 1.00 0.00 H new ATOM 0 HB VAL A 63 -20.468 -20.706 8.678 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -19.605 -22.971 8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.357 -21.726 7.992 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -18.342 -22.726 9.465 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -21.400 -22.639 9.906 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.221 -22.370 11.212 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -21.469 -21.147 10.873 1.00 0.00 H new ATOM 957 N ASN A 64 -18.535 -18.548 8.379 1.00 0.00 N ATOM 958 CA ASN A 64 -17.716 -17.870 7.374 1.00 0.00 C ATOM 959 C ASN A 64 -16.607 -17.070 8.061 1.00 0.00 C ATOM 960 O ASN A 64 -15.510 -16.915 7.523 1.00 0.00 O ATOM 961 CB ASN A 64 -18.584 -16.953 6.497 1.00 0.00 C ATOM 962 CG ASN A 64 -17.863 -16.467 5.247 1.00 0.00 C ATOM 963 OD1 ASN A 64 -16.992 -17.151 4.709 1.00 0.00 O ATOM 964 ND2 ASN A 64 -18.235 -15.290 4.765 1.00 0.00 N ATOM 0 H ASN A 64 -19.501 -18.224 8.423 1.00 0.00 H new ATOM 0 HA ASN A 64 -17.259 -18.620 6.728 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -19.487 -17.489 6.204 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -18.901 -16.092 7.085 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -17.796 -14.923 3.921 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -18.961 -14.751 5.238 1.00 0.00 H new ATOM 971 N ARG A 65 -16.910 -16.571 9.260 1.00 0.00 N ATOM 972 CA ARG A 65 -15.920 -15.892 10.094 1.00 0.00 C ATOM 973 C ARG A 65 -14.944 -16.904 10.696 1.00 0.00 C ATOM 974 O ARG A 65 -13.741 -16.654 10.765 1.00 0.00 O ATOM 975 CB ARG A 65 -16.613 -15.097 11.215 1.00 0.00 C ATOM 976 CG ARG A 65 -15.647 -14.597 12.287 1.00 0.00 C ATOM 977 CD ARG A 65 -16.325 -13.742 13.351 1.00 0.00 C ATOM 978 NE ARG A 65 -15.422 -13.495 14.482 1.00 0.00 N ATOM 979 CZ ARG A 65 -15.162 -12.295 15.007 1.00 0.00 C ATOM 980 NH1 ARG A 65 -15.721 -11.204 14.501 1.00 0.00 N ATOM 981 NH2 ARG A 65 -14.326 -12.194 16.033 1.00 0.00 N ATOM 0 H ARG A 65 -17.839 -16.625 9.677 1.00 0.00 H new ATOM 0 HA ARG A 65 -15.362 -15.197 9.466 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -17.133 -14.244 10.778 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -17.370 -15.727 11.683 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -15.171 -15.453 12.766 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.856 -14.016 11.812 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.636 -12.792 12.916 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -17.227 -14.242 13.704 1.00 0.00 H new ATOM 0 HE ARG A 65 -14.958 -14.302 14.899 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -16.355 -11.278 13.705 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -15.517 -10.291 14.908 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.886 -13.030 16.416 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.124 -11.280 16.438 1.00 0.00 H new ATOM 995 N ALA A 66 -15.475 -18.054 11.104 1.00 0.00 N ATOM 996 CA ALA A 66 -14.700 -19.074 11.813 1.00 0.00 C ATOM 997 C ALA A 66 -13.382 -19.388 11.105 1.00 0.00 C ATOM 998 O ALA A 66 -12.341 -19.532 11.752 1.00 0.00 O ATOM 999 CB ALA A 66 -15.527 -20.345 11.977 1.00 0.00 C ATOM 0 H ALA A 66 -16.452 -18.307 10.954 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.455 -18.673 12.797 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -14.940 -21.096 12.506 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -16.428 -20.122 12.548 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -15.805 -20.727 10.995 1.00 0.00 H new ATOM 1005 N TRP A 67 -13.432 -19.475 9.777 1.00 0.00 N ATOM 1006 CA TRP A 67 -12.254 -19.819 8.982 1.00 0.00 C ATOM 1007 C TRP A 67 -11.134 -18.792 9.175 1.00 0.00 C ATOM 1008 O TRP A 67 -9.991 -19.161 9.444 1.00 0.00 O ATOM 1009 CB TRP A 67 -12.619 -19.940 7.495 1.00 0.00 C ATOM 1010 CG TRP A 67 -11.453 -20.307 6.613 1.00 0.00 C ATOM 1011 CD1 TRP A 67 -10.849 -19.512 5.682 1.00 0.00 C ATOM 1012 CD2 TRP A 67 -10.749 -21.558 6.584 1.00 0.00 C ATOM 1013 NE1 TRP A 67 -9.820 -20.189 5.076 1.00 0.00 N ATOM 1014 CE2 TRP A 67 -9.736 -21.445 5.611 1.00 0.00 C ATOM 1015 CE3 TRP A 67 -10.876 -22.761 7.284 1.00 0.00 C ATOM 1016 CZ2 TRP A 67 -8.858 -22.487 5.323 1.00 0.00 C ATOM 1017 CZ3 TRP A 67 -10.003 -23.794 6.997 1.00 0.00 C ATOM 1018 CH2 TRP A 67 -9.005 -23.651 6.025 1.00 0.00 C ATOM 0 H TRP A 67 -14.276 -19.312 9.228 1.00 0.00 H new ATOM 0 HA TRP A 67 -11.889 -20.785 9.331 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -13.400 -20.692 7.382 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -13.037 -18.993 7.154 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -11.139 -18.497 5.455 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -9.215 -19.815 4.344 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -11.642 -22.882 8.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -8.089 -22.379 4.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -10.092 -24.728 7.532 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -8.338 -24.477 5.826 1.00 0.00 H new ATOM 1029 N MET A 68 -11.464 -17.504 9.057 1.00 0.00 N ATOM 1030 CA MET A 68 -10.456 -16.444 9.180 1.00 0.00 C ATOM 1031 C MET A 68 -9.987 -16.302 10.627 1.00 0.00 C ATOM 1032 O MET A 68 -8.924 -15.737 10.894 1.00 0.00 O ATOM 1033 CB MET A 68 -10.986 -15.096 8.655 1.00 0.00 C ATOM 1034 CG MET A 68 -12.102 -14.477 9.485 1.00 0.00 C ATOM 1035 SD MET A 68 -12.664 -12.899 8.813 1.00 0.00 S ATOM 1036 CE MET A 68 -13.881 -12.421 10.035 1.00 0.00 C ATOM 0 H MET A 68 -12.411 -17.170 8.878 1.00 0.00 H new ATOM 0 HA MET A 68 -9.604 -16.733 8.565 1.00 0.00 H new ATOM 0 HB2 MET A 68 -10.156 -14.391 8.605 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.346 -15.236 7.636 1.00 0.00 H new ATOM 0 HG2 MET A 68 -12.943 -15.169 9.532 1.00 0.00 H new ATOM 0 HG3 MET A 68 -11.753 -14.330 10.507 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.215 -11.403 9.837 1.00 0.00 H new ATOM 0 HE2 MET A 68 -14.733 -13.099 9.984 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.437 -12.470 11.029 1.00 0.00 H new ATOM 1046 N GLU A 69 -10.790 -16.810 11.556 1.00 0.00 N ATOM 1047 CA GLU A 69 -10.448 -16.784 12.975 1.00 0.00 C ATOM 1048 C GLU A 69 -9.383 -17.832 13.290 1.00 0.00 C ATOM 1049 O GLU A 69 -8.434 -17.562 14.027 1.00 0.00 O ATOM 1050 CB GLU A 69 -11.704 -17.023 13.823 1.00 0.00 C ATOM 1051 CG GLU A 69 -12.775 -15.957 13.629 1.00 0.00 C ATOM 1052 CD GLU A 69 -12.340 -14.587 14.124 1.00 0.00 C ATOM 1053 OE1 GLU A 69 -12.462 -14.324 15.341 1.00 0.00 O ATOM 1054 OE2 GLU A 69 -11.877 -13.769 13.304 1.00 0.00 O ATOM 0 H GLU A 69 -11.688 -17.248 11.350 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.042 -15.802 13.218 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.122 -17.998 13.573 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.422 -17.057 14.875 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.029 -15.892 12.571 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.680 -16.258 14.156 1.00 0.00 H new ATOM 1061 N GLU A 70 -9.543 -19.024 12.717 1.00 0.00 N ATOM 1062 CA GLU A 70 -8.590 -20.115 12.931 1.00 0.00 C ATOM 1063 C GLU A 70 -7.409 -20.003 11.964 1.00 0.00 C ATOM 1064 O GLU A 70 -6.335 -20.560 12.206 1.00 0.00 O ATOM 1065 CB GLU A 70 -9.283 -21.477 12.773 1.00 0.00 C ATOM 1066 CG GLU A 70 -9.976 -21.674 11.427 1.00 0.00 C ATOM 1067 CD GLU A 70 -10.595 -23.056 11.275 1.00 0.00 C ATOM 1068 OE1 GLU A 70 -11.573 -23.361 11.989 1.00 0.00 O ATOM 1069 OE2 GLU A 70 -10.098 -23.853 10.452 1.00 0.00 O ATOM 0 H GLU A 70 -10.322 -19.260 12.102 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.208 -20.036 13.949 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.543 -22.266 12.907 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.019 -21.592 13.568 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.753 -20.919 11.310 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.254 -21.515 10.626 1.00 0.00 H new ATOM 1076 N SER A 71 -7.614 -19.276 10.872 1.00 0.00 N ATOM 1077 CA SER A 71 -6.582 -19.094 9.858 1.00 0.00 C ATOM 1078 C SER A 71 -6.148 -17.628 9.787 1.00 0.00 C ATOM 1079 O SER A 71 -6.813 -16.800 9.161 1.00 0.00 O ATOM 1080 CB SER A 71 -7.104 -19.567 8.496 1.00 0.00 C ATOM 1081 OG SER A 71 -7.624 -20.886 8.582 1.00 0.00 O ATOM 0 H SER A 71 -8.492 -18.800 10.665 1.00 0.00 H new ATOM 0 HA SER A 71 -5.712 -19.691 10.130 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.881 -18.888 8.144 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.298 -19.537 7.763 1.00 0.00 H new ATOM 0 HG SER A 71 -8.193 -21.065 7.804 1.00 0.00 H new ATOM 1087 N ASP A 72 -5.045 -17.315 10.461 1.00 0.00 N ATOM 1088 CA ASP A 72 -4.471 -15.969 10.443 1.00 0.00 C ATOM 1089 C ASP A 72 -3.720 -15.753 9.130 1.00 0.00 C ATOM 1090 O ASP A 72 -2.534 -16.061 9.029 1.00 0.00 O ATOM 1091 CB ASP A 72 -3.522 -15.789 11.640 1.00 0.00 C ATOM 1092 CG ASP A 72 -2.968 -14.379 11.763 1.00 0.00 C ATOM 1093 OD1 ASP A 72 -3.714 -13.481 12.202 1.00 0.00 O ATOM 1094 OD2 ASP A 72 -1.777 -14.167 11.455 1.00 0.00 O ATOM 0 H ASP A 72 -4.525 -17.981 11.032 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.270 -15.231 10.520 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.053 -16.044 12.557 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.693 -16.490 11.546 1.00 0.00 H new ATOM 1099 N PHE A 73 -4.425 -15.252 8.120 1.00 0.00 N ATOM 1100 CA PHE A 73 -3.877 -15.152 6.765 1.00 0.00 C ATOM 1101 C PHE A 73 -2.607 -14.305 6.724 1.00 0.00 C ATOM 1102 O PHE A 73 -2.574 -13.178 7.227 1.00 0.00 O ATOM 1103 CB PHE A 73 -4.934 -14.600 5.802 1.00 0.00 C ATOM 1104 CG PHE A 73 -6.088 -15.550 5.601 1.00 0.00 C ATOM 1105 CD1 PHE A 73 -5.968 -16.628 4.734 1.00 0.00 C ATOM 1106 CD2 PHE A 73 -7.280 -15.380 6.289 1.00 0.00 C ATOM 1107 CE1 PHE A 73 -7.014 -17.511 4.555 1.00 0.00 C ATOM 1108 CE2 PHE A 73 -8.326 -16.264 6.114 1.00 0.00 C ATOM 1109 CZ PHE A 73 -8.193 -17.329 5.246 1.00 0.00 C ATOM 0 H PHE A 73 -5.380 -14.907 8.212 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.602 -16.157 6.445 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.311 -13.652 6.187 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.469 -14.391 4.839 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.045 -16.777 4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.391 -14.548 6.968 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.909 -18.343 3.875 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.249 -16.122 6.657 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.012 -18.019 5.108 1.00 0.00 H new ATOM 1119 N LEU A 74 -1.564 -14.867 6.115 1.00 0.00 N ATOM 1120 CA LEU A 74 -0.247 -14.239 6.064 1.00 0.00 C ATOM 1121 C LEU A 74 0.095 -13.808 4.641 1.00 0.00 C ATOM 1122 O LEU A 74 0.485 -12.662 4.406 1.00 0.00 O ATOM 1123 CB LEU A 74 0.818 -15.217 6.581 1.00 0.00 C ATOM 1124 CG LEU A 74 0.606 -15.718 8.019 1.00 0.00 C ATOM 1125 CD1 LEU A 74 1.661 -16.754 8.390 1.00 0.00 C ATOM 1126 CD2 LEU A 74 0.623 -14.554 9.007 1.00 0.00 C ATOM 0 H LEU A 74 -1.609 -15.770 5.643 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.265 -13.353 6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.851 -16.079 5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.792 -14.732 6.523 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.373 -16.194 8.071 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.493 -17.095 9.411 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.594 -17.602 7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.652 -16.307 8.316 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.471 -14.932 10.018 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.584 -14.044 8.951 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.174 -13.854 8.758 1.00 0.00 H new ATOM 1138 N GLU A 75 -0.057 -14.727 3.690 1.00 0.00 N ATOM 1139 CA GLU A 75 0.267 -14.443 2.295 1.00 0.00 C ATOM 1140 C GLU A 75 -0.405 -15.448 1.362 1.00 0.00 C ATOM 1141 O GLU A 75 -0.659 -16.593 1.742 1.00 0.00 O ATOM 1142 CB GLU A 75 1.789 -14.455 2.088 1.00 0.00 C ATOM 1143 CG GLU A 75 2.224 -14.058 0.681 1.00 0.00 C ATOM 1144 CD GLU A 75 3.726 -13.873 0.564 1.00 0.00 C ATOM 1145 OE1 GLU A 75 4.227 -12.805 0.978 1.00 0.00 O ATOM 1146 OE2 GLU A 75 4.414 -14.795 0.073 1.00 0.00 O ATOM 0 H GLU A 75 -0.402 -15.672 3.860 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.112 -13.450 2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.249 -13.775 2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.168 -15.453 2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.900 -14.823 -0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.725 -13.131 0.398 1.00 0.00 H new ATOM 1153 N LEU A 76 -0.694 -15.001 0.144 1.00 0.00 N ATOM 1154 CA LEU A 76 -1.314 -15.843 -0.874 1.00 0.00 C ATOM 1155 C LEU A 76 -0.292 -16.202 -1.951 1.00 0.00 C ATOM 1156 O LEU A 76 0.519 -15.364 -2.346 1.00 0.00 O ATOM 1157 CB LEU A 76 -2.506 -15.110 -1.507 1.00 0.00 C ATOM 1158 CG LEU A 76 -3.287 -15.904 -2.569 1.00 0.00 C ATOM 1159 CD1 LEU A 76 -3.939 -17.138 -1.951 1.00 0.00 C ATOM 1160 CD2 LEU A 76 -4.332 -15.020 -3.247 1.00 0.00 C ATOM 0 H LEU A 76 -0.506 -14.047 -0.165 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.670 -16.760 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.196 -14.823 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.143 -14.189 -1.962 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.582 -16.238 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.486 -17.684 -2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.169 -17.782 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.629 -16.830 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.872 -15.602 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.034 -14.648 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.837 -14.178 -3.731 1.00 0.00 H new ATOM 1172 N ARG A 77 -0.341 -17.443 -2.424 1.00 0.00 N ATOM 1173 CA ARG A 77 0.542 -17.906 -3.488 1.00 0.00 C ATOM 1174 C ARG A 77 -0.287 -18.562 -4.587 1.00 0.00 C ATOM 1175 O ARG A 77 -0.714 -19.712 -4.462 1.00 0.00 O ATOM 1176 CB ARG A 77 1.594 -18.884 -2.933 1.00 0.00 C ATOM 1177 CG ARG A 77 2.498 -19.496 -4.003 1.00 0.00 C ATOM 1178 CD ARG A 77 3.647 -20.295 -3.392 1.00 0.00 C ATOM 1179 NE ARG A 77 4.618 -19.430 -2.711 1.00 0.00 N ATOM 1180 CZ ARG A 77 5.545 -19.859 -1.849 1.00 0.00 C ATOM 1181 NH1 ARG A 77 5.638 -21.145 -1.537 1.00 0.00 N ATOM 1182 NH2 ARG A 77 6.386 -18.992 -1.299 1.00 0.00 N ATOM 0 H ARG A 77 -0.990 -18.152 -2.083 1.00 0.00 H new ATOM 0 HA ARG A 77 1.074 -17.053 -3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.213 -18.361 -2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.084 -19.687 -2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.907 -20.146 -4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.902 -18.704 -4.633 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.247 -21.020 -2.683 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.152 -20.860 -4.175 1.00 0.00 H new ATOM 0 HE ARG A 77 4.583 -18.430 -2.910 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.998 -21.819 -1.956 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.350 -21.460 -0.878 1.00 0.00 H new ATOM 0 HH21 ARG A 77 6.324 -18.002 -1.534 1.00 0.00 H new ATOM 0 HH22 ARG A 77 7.095 -19.316 -0.641 1.00 0.00 H new ATOM 1196 N VAL A 78 -0.539 -17.806 -5.650 1.00 0.00 N ATOM 1197 CA VAL A 78 -1.357 -18.274 -6.762 1.00 0.00 C ATOM 1198 C VAL A 78 -0.525 -19.140 -7.705 1.00 0.00 C ATOM 1199 O VAL A 78 0.484 -18.684 -8.251 1.00 0.00 O ATOM 1200 CB VAL A 78 -1.962 -17.083 -7.544 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -2.813 -17.570 -8.720 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -2.777 -16.188 -6.611 1.00 0.00 C ATOM 0 H VAL A 78 -0.184 -16.857 -5.765 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.172 -18.870 -6.352 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.141 -16.493 -7.953 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.225 -16.712 -9.251 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.193 -18.154 -9.400 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.627 -18.191 -8.347 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.195 -15.356 -7.178 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.587 -16.767 -6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.132 -15.802 -5.822 1.00 0.00 H new ATOM 1212 N LEU A 79 -0.952 -20.385 -7.895 1.00 0.00 N ATOM 1213 CA LEU A 79 -0.208 -21.336 -8.714 1.00 0.00 C ATOM 1214 C LEU A 79 -0.580 -21.195 -10.190 1.00 0.00 C ATOM 1215 O LEU A 79 0.297 -21.089 -11.048 1.00 0.00 O ATOM 1216 CB LEU A 79 -0.462 -22.770 -8.228 1.00 0.00 C ATOM 1217 CG LEU A 79 -0.064 -23.045 -6.765 1.00 0.00 C ATOM 1218 CD1 LEU A 79 -0.307 -24.506 -6.399 1.00 0.00 C ATOM 1219 CD2 LEU A 79 1.396 -22.662 -6.516 1.00 0.00 C ATOM 0 H LEU A 79 -1.811 -20.759 -7.492 1.00 0.00 H new ATOM 0 HA LEU A 79 0.855 -21.116 -8.613 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.522 -22.995 -8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.085 -23.458 -8.873 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.692 -22.426 -6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.018 -24.674 -5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.364 -24.741 -6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.287 -25.148 -7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.653 -22.865 -5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.042 -23.247 -7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.534 -21.601 -6.723 1.00 0.00 H new ATOM 1231 N GLY A 80 -1.879 -21.185 -10.477 1.00 0.00 N ATOM 1232 CA GLY A 80 -2.339 -21.045 -11.850 1.00 0.00 C ATOM 1233 C GLY A 80 -3.847 -20.944 -11.947 1.00 0.00 C ATOM 1234 O GLY A 80 -4.553 -21.183 -10.965 1.00 0.00 O ATOM 0 H GLY A 80 -2.622 -21.271 -9.784 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.889 -20.156 -12.292 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.997 -21.899 -12.434 1.00 0.00 H new ATOM 1238 N SER A 81 -4.343 -20.585 -13.128 1.00 0.00 N ATOM 1239 CA SER A 81 -5.776 -20.464 -13.363 1.00 0.00 C ATOM 1240 C SER A 81 -6.092 -20.591 -14.854 1.00 0.00 C ATOM 1241 O SER A 81 -5.250 -20.293 -15.704 1.00 0.00 O ATOM 1242 CB SER A 81 -6.285 -19.121 -12.830 1.00 0.00 C ATOM 1243 OG SER A 81 -5.633 -18.036 -13.466 1.00 0.00 O ATOM 0 H SER A 81 -3.767 -20.372 -13.942 1.00 0.00 H new ATOM 0 HA SER A 81 -6.281 -21.272 -12.834 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.360 -19.047 -12.991 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.119 -19.068 -11.754 1.00 0.00 H new ATOM 0 HG SER A 81 -5.165 -17.497 -12.795 1.00 0.00 H new ATOM 1249 N SER A 82 -7.301 -21.050 -15.163 1.00 0.00 N ATOM 1250 CA SER A 82 -7.761 -21.180 -16.542 1.00 0.00 C ATOM 1251 C SER A 82 -9.262 -20.907 -16.624 1.00 0.00 C ATOM 1252 O SER A 82 -10.036 -21.392 -15.790 1.00 0.00 O ATOM 1253 CB SER A 82 -7.452 -22.584 -17.080 1.00 0.00 C ATOM 1254 OG SER A 82 -6.063 -22.865 -17.010 1.00 0.00 O ATOM 0 H SER A 82 -7.988 -21.341 -14.467 1.00 0.00 H new ATOM 0 HA SER A 82 -7.234 -20.448 -17.154 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.006 -23.327 -16.505 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.790 -22.663 -18.113 1.00 0.00 H new ATOM 0 HG SER A 82 -5.894 -23.766 -17.357 1.00 0.00 H new ATOM 1260 N GLU A 83 -9.664 -20.122 -17.617 1.00 0.00 N ATOM 1261 CA GLU A 83 -11.069 -19.805 -17.839 1.00 0.00 C ATOM 1262 C GLU A 83 -11.588 -20.572 -19.052 1.00 0.00 C ATOM 1263 O GLU A 83 -11.131 -20.355 -20.177 1.00 0.00 O ATOM 1264 CB GLU A 83 -11.246 -18.296 -18.049 1.00 0.00 C ATOM 1265 CG GLU A 83 -12.692 -17.871 -18.279 1.00 0.00 C ATOM 1266 CD GLU A 83 -12.835 -16.366 -18.440 1.00 0.00 C ATOM 1267 OE1 GLU A 83 -12.909 -15.657 -17.416 1.00 0.00 O ATOM 1268 OE2 GLU A 83 -12.849 -15.882 -19.590 1.00 0.00 O ATOM 0 H GLU A 83 -9.029 -19.690 -18.287 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.642 -20.102 -16.961 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.857 -17.769 -17.178 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.646 -17.985 -18.904 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.076 -18.367 -19.170 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.303 -18.204 -17.440 1.00 0.00 H new ATOM 1275 N LYS A 84 -12.530 -21.475 -18.810 1.00 0.00 N ATOM 1276 CA LYS A 84 -13.102 -22.316 -19.857 1.00 0.00 C ATOM 1277 C LYS A 84 -14.574 -21.957 -20.074 1.00 0.00 C ATOM 1278 O LYS A 84 -15.475 -22.607 -19.529 1.00 0.00 O ATOM 1279 CB LYS A 84 -12.956 -23.801 -19.473 1.00 0.00 C ATOM 1280 CG LYS A 84 -11.527 -24.200 -19.095 1.00 0.00 C ATOM 1281 CD LYS A 84 -10.559 -24.100 -20.277 1.00 0.00 C ATOM 1282 CE LYS A 84 -10.559 -25.360 -21.143 1.00 0.00 C ATOM 1283 NZ LYS A 84 -11.912 -25.720 -21.644 1.00 0.00 N ATOM 0 H LYS A 84 -12.920 -21.646 -17.883 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.565 -22.143 -20.790 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.618 -24.017 -18.635 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.287 -24.418 -20.308 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.176 -23.559 -18.287 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.527 -25.221 -18.715 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.829 -23.241 -20.891 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.551 -23.920 -19.903 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.891 -25.211 -21.991 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.159 -26.192 -20.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.824 -26.412 -22.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.470 -26.133 -20.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.389 -24.867 -21.998 1.00 0.00 H new ATOM 1297 N GLY A 85 -14.811 -20.900 -20.847 1.00 0.00 N ATOM 1298 CA GLY A 85 -16.166 -20.442 -21.106 1.00 0.00 C ATOM 1299 C GLY A 85 -16.838 -19.889 -19.859 1.00 0.00 C ATOM 1300 O GLY A 85 -16.448 -18.834 -19.353 1.00 0.00 O ATOM 0 H GLY A 85 -14.083 -20.349 -21.302 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.145 -19.671 -21.877 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.758 -21.269 -21.498 1.00 0.00 H new ATOM 1304 N SER A 86 -17.847 -20.601 -19.363 1.00 0.00 N ATOM 1305 CA SER A 86 -18.560 -20.203 -18.150 1.00 0.00 C ATOM 1306 C SER A 86 -18.034 -20.976 -16.935 1.00 0.00 C ATOM 1307 O SER A 86 -18.498 -20.779 -15.808 1.00 0.00 O ATOM 1308 CB SER A 86 -20.064 -20.441 -18.327 1.00 0.00 C ATOM 1309 OG SER A 86 -20.562 -19.730 -19.452 1.00 0.00 O ATOM 0 H SER A 86 -18.192 -21.463 -19.786 1.00 0.00 H new ATOM 0 HA SER A 86 -18.389 -19.141 -17.976 1.00 0.00 H new ATOM 0 HB2 SER A 86 -20.255 -21.507 -18.452 1.00 0.00 H new ATOM 0 HB3 SER A 86 -20.594 -20.125 -17.429 1.00 0.00 H new ATOM 0 HG SER A 86 -21.523 -19.898 -19.546 1.00 0.00 H new ATOM 1315 N ARG A 87 -17.065 -21.855 -17.177 1.00 0.00 N ATOM 1316 CA ARG A 87 -16.413 -22.617 -16.116 1.00 0.00 C ATOM 1317 C ARG A 87 -15.027 -22.034 -15.868 1.00 0.00 C ATOM 1318 O ARG A 87 -14.282 -21.788 -16.812 1.00 0.00 O ATOM 1319 CB ARG A 87 -16.298 -24.095 -16.527 1.00 0.00 C ATOM 1320 CG ARG A 87 -15.623 -24.999 -15.494 1.00 0.00 C ATOM 1321 CD ARG A 87 -16.476 -25.187 -14.244 1.00 0.00 C ATOM 1322 NE ARG A 87 -15.885 -26.164 -13.322 1.00 0.00 N ATOM 1323 CZ ARG A 87 -16.581 -26.867 -12.422 1.00 0.00 C ATOM 1324 NH1 ARG A 87 -17.902 -26.743 -12.348 1.00 0.00 N ATOM 1325 NH2 ARG A 87 -15.960 -27.712 -11.610 1.00 0.00 N ATOM 0 H ARG A 87 -16.711 -22.059 -18.111 1.00 0.00 H new ATOM 0 HA ARG A 87 -17.004 -22.555 -15.202 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -17.298 -24.480 -16.728 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -15.740 -24.155 -17.461 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -15.421 -25.972 -15.943 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.661 -24.571 -15.213 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -16.590 -24.230 -13.735 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -17.474 -25.517 -14.532 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.878 -26.317 -13.371 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -18.391 -26.109 -12.980 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -18.427 -27.282 -11.659 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.948 -27.827 -11.671 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -16.494 -28.246 -10.925 1.00 0.00 H new ATOM 1339 N GLY A 88 -14.681 -21.807 -14.609 1.00 0.00 N ATOM 1340 CA GLY A 88 -13.382 -21.243 -14.286 1.00 0.00 C ATOM 1341 C GLY A 88 -12.715 -21.985 -13.155 1.00 0.00 C ATOM 1342 O GLY A 88 -13.388 -22.444 -12.232 1.00 0.00 O ATOM 0 H GLY A 88 -15.275 -22.003 -13.804 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.743 -21.274 -15.168 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -13.499 -20.194 -14.014 1.00 0.00 H new ATOM 1346 N THR A 89 -11.398 -22.108 -13.222 1.00 0.00 N ATOM 1347 CA THR A 89 -10.641 -22.814 -12.201 1.00 0.00 C ATOM 1348 C THR A 89 -9.368 -22.048 -11.852 1.00 0.00 C ATOM 1349 O THR A 89 -8.663 -21.569 -12.742 1.00 0.00 O ATOM 1350 CB THR A 89 -10.266 -24.238 -12.675 1.00 0.00 C ATOM 1351 OG1 THR A 89 -11.438 -24.930 -13.133 1.00 0.00 O ATOM 1352 CG2 THR A 89 -9.615 -25.033 -11.550 1.00 0.00 C ATOM 0 H THR A 89 -10.829 -21.725 -13.977 1.00 0.00 H new ATOM 0 HA THR A 89 -11.272 -22.890 -11.316 1.00 0.00 H new ATOM 0 HB THR A 89 -9.553 -24.144 -13.494 1.00 0.00 H new ATOM 0 HG1 THR A 89 -11.191 -25.830 -13.432 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.361 -26.030 -11.909 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.709 -24.524 -11.222 1.00 0.00 H new ATOM 0 HG23 THR A 89 -10.309 -25.114 -10.713 1.00 0.00 H new ATOM 1360 N VAL A 90 -9.089 -21.923 -10.559 1.00 0.00 N ATOM 1361 CA VAL A 90 -7.857 -21.301 -10.089 1.00 0.00 C ATOM 1362 C VAL A 90 -7.288 -22.081 -8.905 1.00 0.00 C ATOM 1363 O VAL A 90 -7.961 -22.285 -7.890 1.00 0.00 O ATOM 1364 CB VAL A 90 -8.061 -19.805 -9.709 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -9.226 -19.626 -8.739 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -6.773 -19.208 -9.134 1.00 0.00 C ATOM 0 H VAL A 90 -9.705 -22.247 -9.813 1.00 0.00 H new ATOM 0 HA VAL A 90 -7.143 -21.329 -10.913 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.310 -19.264 -10.622 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.338 -18.569 -8.496 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.143 -19.992 -9.201 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.029 -20.189 -7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.940 -18.162 -8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.483 -19.760 -8.240 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.978 -19.276 -9.876 1.00 0.00 H new ATOM 1376 N GLU A 91 -6.055 -22.546 -9.067 1.00 0.00 N ATOM 1377 CA GLU A 91 -5.353 -23.288 -8.030 1.00 0.00 C ATOM 1378 C GLU A 91 -4.347 -22.378 -7.335 1.00 0.00 C ATOM 1379 O GLU A 91 -3.602 -21.642 -7.994 1.00 0.00 O ATOM 1380 CB GLU A 91 -4.642 -24.505 -8.636 1.00 0.00 C ATOM 1381 CG GLU A 91 -3.767 -25.260 -7.643 1.00 0.00 C ATOM 1382 CD GLU A 91 -3.119 -26.500 -8.237 1.00 0.00 C ATOM 1383 OE1 GLU A 91 -2.436 -26.385 -9.273 1.00 0.00 O ATOM 1384 OE2 GLU A 91 -3.288 -27.597 -7.660 1.00 0.00 O ATOM 0 H GLU A 91 -5.514 -22.418 -9.922 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.076 -23.642 -7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.390 -25.187 -9.040 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.026 -24.175 -9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.988 -24.592 -7.274 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.371 -25.550 -6.784 1.00 0.00 H new ATOM 1391 N PHE A 92 -4.325 -22.429 -6.009 1.00 0.00 N ATOM 1392 CA PHE A 92 -3.454 -21.570 -5.222 1.00 0.00 C ATOM 1393 C PHE A 92 -3.157 -22.196 -3.865 1.00 0.00 C ATOM 1394 O PHE A 92 -3.604 -23.308 -3.568 1.00 0.00 O ATOM 1395 CB PHE A 92 -4.091 -20.181 -5.045 1.00 0.00 C ATOM 1396 CG PHE A 92 -5.459 -20.204 -4.400 1.00 0.00 C ATOM 1397 CD1 PHE A 92 -6.596 -20.454 -5.158 1.00 0.00 C ATOM 1398 CD2 PHE A 92 -5.608 -19.970 -3.040 1.00 0.00 C ATOM 1399 CE1 PHE A 92 -7.846 -20.472 -4.574 1.00 0.00 C ATOM 1400 CE2 PHE A 92 -6.859 -19.985 -2.451 1.00 0.00 C ATOM 1401 CZ PHE A 92 -7.979 -20.237 -3.219 1.00 0.00 C ATOM 0 H PHE A 92 -4.904 -23.060 -5.455 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.511 -21.457 -5.757 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.427 -19.563 -4.440 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.170 -19.703 -6.021 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.500 -20.637 -6.218 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.736 -19.774 -2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.720 -20.670 -5.176 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.960 -19.800 -1.392 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.957 -20.250 -2.761 1.00 0.00 H new ATOM 1411 N ILE A 93 -2.380 -21.479 -3.063 1.00 0.00 N ATOM 1412 CA ILE A 93 -2.042 -21.899 -1.711 1.00 0.00 C ATOM 1413 C ILE A 93 -2.220 -20.727 -0.748 1.00 0.00 C ATOM 1414 O ILE A 93 -1.567 -19.687 -0.890 1.00 0.00 O ATOM 1415 CB ILE A 93 -0.582 -22.426 -1.628 1.00 0.00 C ATOM 1416 CG1 ILE A 93 -0.429 -23.726 -2.441 1.00 0.00 C ATOM 1417 CG2 ILE A 93 -0.167 -22.649 -0.172 1.00 0.00 C ATOM 1418 CD1 ILE A 93 0.997 -24.230 -2.541 1.00 0.00 C ATOM 0 H ILE A 93 -1.966 -20.587 -3.334 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.712 -22.713 -1.433 1.00 0.00 H new ATOM 0 HB ILE A 93 0.078 -21.672 -2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.046 -24.501 -1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.816 -23.560 -3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.858 -23.018 -0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.232 -21.707 0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.831 -23.381 0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.018 -25.148 -3.129 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.617 -23.475 -3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.383 -24.430 -1.542 1.00 0.00 H new ATOM 1430 N ALA A 94 -3.126 -20.890 0.208 1.00 0.00 N ATOM 1431 CA ALA A 94 -3.355 -19.890 1.240 1.00 0.00 C ATOM 1432 C ALA A 94 -2.433 -20.152 2.430 1.00 0.00 C ATOM 1433 O ALA A 94 -2.581 -21.155 3.133 1.00 0.00 O ATOM 1434 CB ALA A 94 -4.820 -19.905 1.674 1.00 0.00 C ATOM 0 H ALA A 94 -3.720 -21.716 0.289 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.130 -18.902 0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.978 -19.152 2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.456 -19.684 0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.072 -20.889 2.069 1.00 0.00 H new ATOM 1440 N ARG A 95 -1.470 -19.261 2.637 1.00 0.00 N ATOM 1441 CA ARG A 95 -0.525 -19.388 3.740 1.00 0.00 C ATOM 1442 C ARG A 95 -1.016 -18.573 4.926 1.00 0.00 C ATOM 1443 O ARG A 95 -1.178 -17.353 4.828 1.00 0.00 O ATOM 1444 CB ARG A 95 0.861 -18.904 3.309 1.00 0.00 C ATOM 1445 CG ARG A 95 1.959 -19.148 4.341 1.00 0.00 C ATOM 1446 CD ARG A 95 3.294 -18.598 3.856 1.00 0.00 C ATOM 1447 NE ARG A 95 3.540 -18.961 2.458 1.00 0.00 N ATOM 1448 CZ ARG A 95 3.937 -18.105 1.518 1.00 0.00 C ATOM 1449 NH1 ARG A 95 4.318 -16.874 1.845 1.00 0.00 N ATOM 1450 NH2 ARG A 95 3.990 -18.499 0.256 1.00 0.00 N ATOM 0 H ARG A 95 -1.323 -18.439 2.052 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.452 -20.437 4.028 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.135 -19.403 2.379 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.810 -17.836 3.095 1.00 0.00 H new ATOM 0 HG2 ARG A 95 1.688 -18.675 5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.050 -20.217 4.535 1.00 0.00 H new ATOM 0 HD2 ARG A 95 3.303 -17.513 3.960 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.098 -18.984 4.482 1.00 0.00 H new ATOM 0 HE ARG A 95 3.398 -19.934 2.187 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.308 -16.579 2.821 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.621 -16.224 1.119 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.728 -19.453 0.008 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.293 -17.849 -0.469 1.00 0.00 H new ATOM 1464 N PHE A 96 -1.250 -19.245 6.043 1.00 0.00 N ATOM 1465 CA PHE A 96 -1.812 -18.607 7.220 1.00 0.00 C ATOM 1466 C PHE A 96 -1.219 -19.194 8.491 1.00 0.00 C ATOM 1467 O PHE A 96 -0.748 -20.326 8.509 1.00 0.00 O ATOM 1468 CB PHE A 96 -3.345 -18.753 7.228 1.00 0.00 C ATOM 1469 CG PHE A 96 -3.842 -20.147 6.916 1.00 0.00 C ATOM 1470 CD1 PHE A 96 -3.515 -21.223 7.731 1.00 0.00 C ATOM 1471 CD2 PHE A 96 -4.641 -20.378 5.805 1.00 0.00 C ATOM 1472 CE1 PHE A 96 -3.970 -22.493 7.444 1.00 0.00 C ATOM 1473 CE2 PHE A 96 -5.099 -21.647 5.516 1.00 0.00 C ATOM 1474 CZ PHE A 96 -4.764 -22.706 6.337 1.00 0.00 C ATOM 0 H PHE A 96 -1.057 -20.240 6.157 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.560 -17.547 7.185 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -3.721 -18.457 8.208 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -3.768 -18.059 6.502 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -2.896 -21.063 8.601 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.907 -19.555 5.159 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -3.705 -23.320 8.086 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -5.720 -21.812 4.648 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.123 -23.699 6.112 1.00 0.00 H new ATOM 1484 N ARG A 97 -1.241 -18.410 9.546 1.00 0.00 N ATOM 1485 CA ARG A 97 -0.816 -18.855 10.859 1.00 0.00 C ATOM 1486 C ARG A 97 -2.021 -19.432 11.595 1.00 0.00 C ATOM 1487 O ARG A 97 -3.061 -18.784 11.690 1.00 0.00 O ATOM 1488 CB ARG A 97 -0.219 -17.667 11.619 1.00 0.00 C ATOM 1489 CG ARG A 97 0.229 -17.974 13.041 1.00 0.00 C ATOM 1490 CD ARG A 97 0.839 -16.740 13.700 1.00 0.00 C ATOM 1491 NE ARG A 97 0.034 -15.534 13.460 1.00 0.00 N ATOM 1492 CZ ARG A 97 -0.006 -14.480 14.273 1.00 0.00 C ATOM 1493 NH1 ARG A 97 0.675 -14.483 15.410 1.00 0.00 N ATOM 1494 NH2 ARG A 97 -0.728 -13.421 13.937 1.00 0.00 N ATOM 0 H ARG A 97 -1.556 -17.440 9.519 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.053 -19.630 10.778 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.636 -17.289 11.058 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.958 -16.867 11.652 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.622 -18.321 13.627 1.00 0.00 H new ATOM 0 HG3 ARG A 97 0.959 -18.783 13.029 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.928 -16.909 14.773 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.848 -16.585 13.317 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.533 -15.502 12.613 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.234 -15.296 15.667 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.640 -13.672 16.028 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.249 -13.416 13.060 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -0.763 -12.611 14.555 1.00 0.00 H new ATOM 1508 N ARG A 98 -1.895 -20.654 12.093 1.00 0.00 N ATOM 1509 CA ARG A 98 -3.009 -21.322 12.751 1.00 0.00 C ATOM 1510 C ARG A 98 -3.300 -20.637 14.083 1.00 0.00 C ATOM 1511 O ARG A 98 -2.580 -20.838 15.066 1.00 0.00 O ATOM 1512 CB ARG A 98 -2.699 -22.812 12.962 1.00 0.00 C ATOM 1513 CG ARG A 98 -3.923 -23.651 13.317 1.00 0.00 C ATOM 1514 CD ARG A 98 -4.951 -23.641 12.189 1.00 0.00 C ATOM 1515 NE ARG A 98 -6.138 -24.434 12.510 1.00 0.00 N ATOM 1516 CZ ARG A 98 -7.267 -24.414 11.799 1.00 0.00 C ATOM 1517 NH1 ARG A 98 -7.378 -23.641 10.725 1.00 0.00 N ATOM 1518 NH2 ARG A 98 -8.292 -25.166 12.167 1.00 0.00 N ATOM 0 H ARG A 98 -1.035 -21.202 12.054 1.00 0.00 H new ATOM 0 HA ARG A 98 -3.892 -21.251 12.116 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.247 -23.212 12.054 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.959 -22.911 13.757 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.616 -24.676 13.522 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -4.378 -23.266 14.229 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -5.249 -22.613 11.982 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.493 -24.030 11.280 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.100 -25.041 13.329 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.595 -23.054 10.436 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.246 -23.634 10.189 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.218 -25.760 12.993 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.156 -25.152 11.625 1.00 0.00 H new ATOM 1553 N PRO A 102 1.488 -22.092 14.656 1.00 0.00 N ATOM 1554 CA PRO A 102 2.300 -22.511 13.507 1.00 0.00 C ATOM 1555 C PRO A 102 1.853 -21.875 12.191 1.00 0.00 C ATOM 1556 O PRO A 102 0.655 -21.745 11.927 1.00 0.00 O ATOM 1557 CB PRO A 102 2.078 -24.027 13.475 1.00 0.00 C ATOM 1558 CG PRO A 102 0.693 -24.214 14.004 1.00 0.00 C ATOM 1559 CD PRO A 102 0.464 -23.101 15.002 1.00 0.00 C ATOM 0 HA PRO A 102 3.342 -22.208 13.611 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.173 -24.421 12.463 1.00 0.00 H new ATOM 0 HB3 PRO A 102 2.811 -24.549 14.090 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.040 -24.170 13.198 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.587 -25.189 14.479 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.543 -22.692 14.919 1.00 0.00 H new ATOM 0 HD3 PRO A 102 0.582 -23.454 16.027 1.00 0.00 H new ATOM 1567 N GLU A 103 2.820 -21.476 11.371 1.00 0.00 N ATOM 1568 CA GLU A 103 2.533 -20.969 10.036 1.00 0.00 C ATOM 1569 C GLU A 103 2.284 -22.140 9.088 1.00 0.00 C ATOM 1570 O GLU A 103 3.211 -22.853 8.693 1.00 0.00 O ATOM 1571 CB GLU A 103 3.682 -20.090 9.529 1.00 0.00 C ATOM 1572 CG GLU A 103 3.912 -18.847 10.380 1.00 0.00 C ATOM 1573 CD GLU A 103 5.088 -18.010 9.899 1.00 0.00 C ATOM 1574 OE1 GLU A 103 4.935 -17.275 8.899 1.00 0.00 O ATOM 1575 OE2 GLU A 103 6.173 -18.082 10.512 1.00 0.00 O ATOM 0 H GLU A 103 3.812 -21.495 11.610 1.00 0.00 H new ATOM 0 HA GLU A 103 1.637 -20.350 10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.598 -20.680 9.505 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.472 -19.786 8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.010 -18.235 10.372 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.085 -19.147 11.414 1.00 0.00 H new ATOM 1582 N GLN A 104 1.021 -22.332 8.744 1.00 0.00 N ATOM 1583 CA GLN A 104 0.582 -23.475 7.953 1.00 0.00 C ATOM 1584 C GLN A 104 0.164 -23.011 6.559 1.00 0.00 C ATOM 1585 O GLN A 104 -0.205 -21.853 6.369 1.00 0.00 O ATOM 1586 CB GLN A 104 -0.585 -24.174 8.669 1.00 0.00 C ATOM 1587 CG GLN A 104 -1.010 -25.498 8.042 1.00 0.00 C ATOM 1588 CD GLN A 104 -2.118 -26.179 8.828 1.00 0.00 C ATOM 1589 OE1 GLN A 104 -3.302 -25.975 8.562 1.00 0.00 O ATOM 1590 NE2 GLN A 104 -1.738 -26.978 9.815 1.00 0.00 N ATOM 0 H GLN A 104 0.266 -21.698 9.006 1.00 0.00 H new ATOM 0 HA GLN A 104 1.402 -24.185 7.846 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -0.304 -24.352 9.707 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -1.442 -23.501 8.682 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.347 -25.322 7.021 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.148 -26.163 7.983 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -0.746 -27.120 10.003 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.438 -27.451 10.387 1.00 0.00 H new ATOM 1599 N SER A 105 0.230 -23.907 5.586 1.00 0.00 N ATOM 1600 CA SER A 105 -0.119 -23.568 4.213 1.00 0.00 C ATOM 1601 C SER A 105 -1.150 -24.546 3.651 1.00 0.00 C ATOM 1602 O SER A 105 -0.880 -25.742 3.495 1.00 0.00 O ATOM 1603 CB SER A 105 1.148 -23.538 3.348 1.00 0.00 C ATOM 1604 OG SER A 105 1.985 -24.647 3.632 1.00 0.00 O ATOM 0 H SER A 105 0.522 -24.875 5.721 1.00 0.00 H new ATOM 0 HA SER A 105 -0.573 -22.577 4.200 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.873 -23.547 2.293 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.693 -22.611 3.528 1.00 0.00 H new ATOM 0 HG SER A 105 1.436 -25.451 3.742 1.00 0.00 H new ATOM 1610 N HIS A 106 -2.339 -24.027 3.365 1.00 0.00 N ATOM 1611 CA HIS A 106 -3.419 -24.823 2.797 1.00 0.00 C ATOM 1612 C HIS A 106 -3.427 -24.667 1.282 1.00 0.00 C ATOM 1613 O HIS A 106 -3.385 -23.552 0.768 1.00 0.00 O ATOM 1614 CB HIS A 106 -4.766 -24.385 3.381 1.00 0.00 C ATOM 1615 CG HIS A 106 -5.934 -25.188 2.893 1.00 0.00 C ATOM 1616 ND1 HIS A 106 -6.646 -24.865 1.763 1.00 0.00 N ATOM 1617 CD2 HIS A 106 -6.519 -26.300 3.397 1.00 0.00 C ATOM 1618 CE1 HIS A 106 -7.618 -25.740 1.590 1.00 0.00 C ATOM 1619 NE2 HIS A 106 -7.564 -26.622 2.568 1.00 0.00 N ATOM 0 H HIS A 106 -2.580 -23.048 3.520 1.00 0.00 H new ATOM 0 HA HIS A 106 -3.258 -25.871 3.048 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.719 -24.455 4.468 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -4.932 -23.336 3.136 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -6.453 -24.071 1.152 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -6.219 -26.834 4.286 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -8.336 -25.735 0.784 1.00 0.00 H new ATOM 1628 N HIS A 107 -3.475 -25.787 0.579 1.00 0.00 N ATOM 1629 CA HIS A 107 -3.453 -25.797 -0.880 1.00 0.00 C ATOM 1630 C HIS A 107 -4.788 -26.312 -1.412 1.00 0.00 C ATOM 1631 O HIS A 107 -5.182 -27.444 -1.128 1.00 0.00 O ATOM 1632 CB HIS A 107 -2.286 -26.676 -1.366 1.00 0.00 C ATOM 1633 CG HIS A 107 -2.181 -26.847 -2.857 1.00 0.00 C ATOM 1634 ND1 HIS A 107 -1.268 -27.697 -3.440 1.00 0.00 N ATOM 1635 CD2 HIS A 107 -2.873 -26.290 -3.880 1.00 0.00 C ATOM 1636 CE1 HIS A 107 -1.403 -27.655 -4.749 1.00 0.00 C ATOM 1637 NE2 HIS A 107 -2.371 -26.811 -5.045 1.00 0.00 N ATOM 0 H HIS A 107 -3.530 -26.714 1.000 1.00 0.00 H new ATOM 0 HA HIS A 107 -3.305 -24.785 -1.257 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -1.353 -26.246 -1.001 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -2.382 -27.662 -0.911 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -0.592 -28.270 -2.936 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -3.672 -25.569 -3.794 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -0.818 -28.218 -5.461 1.00 0.00 H new ATOM 1646 N GLU A 108 -5.489 -25.476 -2.168 1.00 0.00 N ATOM 1647 CA GLU A 108 -6.767 -25.862 -2.753 1.00 0.00 C ATOM 1648 C GLU A 108 -6.852 -25.468 -4.224 1.00 0.00 C ATOM 1649 O GLU A 108 -6.004 -24.739 -4.748 1.00 0.00 O ATOM 1650 CB GLU A 108 -7.947 -25.239 -1.984 1.00 0.00 C ATOM 1651 CG GLU A 108 -7.966 -23.711 -1.972 1.00 0.00 C ATOM 1652 CD GLU A 108 -7.010 -23.112 -0.951 1.00 0.00 C ATOM 1653 OE1 GLU A 108 -5.816 -22.942 -1.266 1.00 0.00 O ATOM 1654 OE2 GLU A 108 -7.455 -22.827 0.183 1.00 0.00 O ATOM 0 H GLU A 108 -5.194 -24.525 -2.391 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.831 -26.948 -2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -8.878 -25.597 -2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.921 -25.597 -0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.707 -23.342 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.978 -23.367 -1.759 1.00 0.00 H new ATOM 1661 N ARG A 109 -7.883 -25.984 -4.877 1.00 0.00 N ATOM 1662 CA ARG A 109 -8.203 -25.652 -6.253 1.00 0.00 C ATOM 1663 C ARG A 109 -9.659 -25.208 -6.313 1.00 0.00 C ATOM 1664 O ARG A 109 -10.572 -26.031 -6.222 1.00 0.00 O ATOM 1665 CB ARG A 109 -7.965 -26.868 -7.161 1.00 0.00 C ATOM 1666 CG ARG A 109 -8.317 -26.632 -8.625 1.00 0.00 C ATOM 1667 CD ARG A 109 -8.015 -27.858 -9.481 1.00 0.00 C ATOM 1668 NE ARG A 109 -8.758 -29.042 -9.036 1.00 0.00 N ATOM 1669 CZ ARG A 109 -8.302 -30.295 -9.126 1.00 0.00 C ATOM 1670 NH1 ARG A 109 -7.079 -30.536 -9.585 1.00 0.00 N ATOM 1671 NH2 ARG A 109 -9.063 -31.304 -8.724 1.00 0.00 N ATOM 0 H ARG A 109 -8.528 -26.654 -4.458 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.560 -24.845 -6.605 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -6.917 -27.159 -7.093 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -8.553 -27.707 -6.788 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -9.374 -26.380 -8.709 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.755 -25.777 -9.002 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -8.265 -27.644 -10.520 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -6.946 -28.068 -9.447 1.00 0.00 H new ATOM 0 HE ARG A 109 -9.683 -28.900 -8.631 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -6.480 -29.762 -9.872 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -6.739 -31.495 -9.650 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -9.993 -31.123 -8.347 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -8.718 -32.261 -8.791 1.00 0.00 H new ATOM 1685 N SER A 110 -9.874 -23.905 -6.427 1.00 0.00 N ATOM 1686 CA SER A 110 -11.218 -23.348 -6.386 1.00 0.00 C ATOM 1687 C SER A 110 -11.796 -23.218 -7.791 1.00 0.00 C ATOM 1688 O SER A 110 -11.185 -22.611 -8.675 1.00 0.00 O ATOM 1689 CB SER A 110 -11.200 -21.985 -5.684 1.00 0.00 C ATOM 1690 OG SER A 110 -10.735 -22.110 -4.349 1.00 0.00 O ATOM 0 H SER A 110 -9.134 -23.214 -6.549 1.00 0.00 H new ATOM 0 HA SER A 110 -11.857 -24.027 -5.821 1.00 0.00 H new ATOM 0 HB2 SER A 110 -10.558 -21.296 -6.234 1.00 0.00 H new ATOM 0 HB3 SER A 110 -12.202 -21.557 -5.686 1.00 0.00 H new ATOM 0 HG SER A 110 -9.965 -21.519 -4.214 1.00 0.00 H new ATOM 1696 N GLN A 111 -12.968 -23.812 -7.995 1.00 0.00 N ATOM 1697 CA GLN A 111 -13.685 -23.693 -9.256 1.00 0.00 C ATOM 1698 C GLN A 111 -14.853 -22.726 -9.097 1.00 0.00 C ATOM 1699 O GLN A 111 -15.613 -22.798 -8.124 1.00 0.00 O ATOM 1700 CB GLN A 111 -14.179 -25.061 -9.765 1.00 0.00 C ATOM 1701 CG GLN A 111 -13.117 -25.869 -10.522 1.00 0.00 C ATOM 1702 CD GLN A 111 -12.318 -26.844 -9.663 1.00 0.00 C ATOM 1703 OE1 GLN A 111 -12.168 -26.560 -8.382 1.00 0.00 O flip ATOM 1704 NE2 GLN A 111 -11.836 -27.860 -10.165 1.00 0.00 N flip ATOM 0 H GLN A 111 -13.442 -24.384 -7.296 1.00 0.00 H new ATOM 0 HA GLN A 111 -12.993 -23.302 -10.002 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -14.529 -25.648 -8.916 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -15.036 -24.905 -10.420 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -13.607 -26.428 -11.320 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -12.424 -25.175 -10.998 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -11.970 -28.051 -11.158 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -11.303 -28.511 -9.588 1.00 0.00 H new ATOM 1713 N PHE A 112 -14.967 -21.813 -10.052 1.00 0.00 N ATOM 1714 CA PHE A 112 -16.004 -20.792 -10.055 1.00 0.00 C ATOM 1715 C PHE A 112 -16.953 -21.020 -11.229 1.00 0.00 C ATOM 1716 O PHE A 112 -16.517 -21.369 -12.331 1.00 0.00 O ATOM 1717 CB PHE A 112 -15.372 -19.394 -10.171 1.00 0.00 C ATOM 1718 CG PHE A 112 -14.517 -18.995 -8.991 1.00 0.00 C ATOM 1719 CD1 PHE A 112 -13.292 -19.610 -8.758 1.00 0.00 C ATOM 1720 CD2 PHE A 112 -14.934 -17.996 -8.120 1.00 0.00 C ATOM 1721 CE1 PHE A 112 -12.509 -19.237 -7.682 1.00 0.00 C ATOM 1722 CE2 PHE A 112 -14.152 -17.622 -7.044 1.00 0.00 C ATOM 1723 CZ PHE A 112 -12.939 -18.243 -6.824 1.00 0.00 C ATOM 0 H PHE A 112 -14.337 -21.760 -10.852 1.00 0.00 H new ATOM 0 HA PHE A 112 -16.561 -20.856 -9.120 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -14.763 -19.358 -11.074 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -16.167 -18.658 -10.293 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -12.949 -20.387 -9.425 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -15.882 -17.505 -8.286 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -11.560 -19.723 -7.512 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -14.490 -16.844 -6.375 1.00 0.00 H new ATOM 0 HZ PHE A 112 -12.327 -17.952 -5.983 1.00 0.00 H new ATOM 1733 N ARG A 113 -18.243 -20.838 -10.986 1.00 0.00 N ATOM 1734 CA ARG A 113 -19.243 -20.882 -12.044 1.00 0.00 C ATOM 1735 C ARG A 113 -19.684 -19.464 -12.384 1.00 0.00 C ATOM 1736 O ARG A 113 -20.041 -18.687 -11.494 1.00 0.00 O ATOM 1737 CB ARG A 113 -20.443 -21.739 -11.617 1.00 0.00 C ATOM 1738 CG ARG A 113 -21.615 -21.698 -12.596 1.00 0.00 C ATOM 1739 CD ARG A 113 -22.638 -22.796 -12.314 1.00 0.00 C ATOM 1740 NE ARG A 113 -23.131 -22.773 -10.933 1.00 0.00 N ATOM 1741 CZ ARG A 113 -24.188 -23.467 -10.507 1.00 0.00 C ATOM 1742 NH1 ARG A 113 -24.895 -24.200 -11.356 1.00 0.00 N ATOM 1743 NH2 ARG A 113 -24.535 -23.425 -9.231 1.00 0.00 N ATOM 0 H ARG A 113 -18.624 -20.657 -10.057 1.00 0.00 H new ATOM 0 HA ARG A 113 -18.806 -21.340 -12.932 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -20.116 -22.772 -11.501 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -20.788 -21.402 -10.639 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -22.103 -20.725 -12.536 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -21.240 -21.805 -13.614 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -23.480 -22.686 -12.997 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -22.187 -23.767 -12.518 1.00 0.00 H new ATOM 0 HE ARG A 113 -22.636 -22.191 -10.257 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -24.632 -24.236 -12.341 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -25.702 -24.728 -11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -23.995 -22.862 -8.574 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -25.343 -23.955 -8.904 1.00 0.00 H new ATOM 1757 N LYS A 114 -19.629 -19.119 -13.666 1.00 0.00 N ATOM 1758 CA LYS A 114 -20.008 -17.785 -14.110 1.00 0.00 C ATOM 1759 C LYS A 114 -21.527 -17.682 -14.219 1.00 0.00 C ATOM 1760 O LYS A 114 -22.133 -18.237 -15.137 1.00 0.00 O ATOM 1761 CB LYS A 114 -19.348 -17.455 -15.457 1.00 0.00 C ATOM 1762 CG LYS A 114 -19.263 -15.958 -15.741 1.00 0.00 C ATOM 1763 CD LYS A 114 -18.602 -15.667 -17.085 1.00 0.00 C ATOM 1764 CE LYS A 114 -18.231 -14.196 -17.223 1.00 0.00 C ATOM 1765 NZ LYS A 114 -17.777 -13.856 -18.599 1.00 0.00 N ATOM 0 H LYS A 114 -19.326 -19.744 -14.413 1.00 0.00 H new ATOM 0 HA LYS A 114 -19.659 -17.060 -13.374 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -18.344 -17.878 -15.474 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -19.910 -17.937 -16.256 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -20.265 -15.530 -15.730 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -18.699 -15.470 -14.946 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -17.707 -16.280 -17.191 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -19.278 -15.949 -17.892 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -19.092 -13.580 -16.964 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -17.441 -13.954 -16.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -17.535 -12.845 -18.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -16.939 -14.424 -18.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -18.539 -14.061 -19.277 1.00 0.00 H new ATOM 1779 N ALA A 115 -22.133 -16.981 -13.269 1.00 0.00 N ATOM 1780 CA ALA A 115 -23.576 -16.803 -13.231 1.00 0.00 C ATOM 1781 C ALA A 115 -23.931 -15.338 -13.462 1.00 0.00 C ATOM 1782 O ALA A 115 -23.396 -14.448 -12.794 1.00 0.00 O ATOM 1783 CB ALA A 115 -24.134 -17.294 -11.899 1.00 0.00 C ATOM 0 H ALA A 115 -21.638 -16.521 -12.505 1.00 0.00 H new ATOM 0 HA ALA A 115 -24.027 -17.395 -14.028 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -25.215 -17.155 -11.884 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -23.902 -18.352 -11.775 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -23.684 -16.726 -11.085 1.00 0.00 H new ATOM 1789 N ARG A 116 -24.804 -15.097 -14.438 1.00 0.00 N ATOM 1790 CA ARG A 116 -25.281 -13.751 -14.760 1.00 0.00 C ATOM 1791 C ARG A 116 -24.115 -12.848 -15.186 1.00 0.00 C ATOM 1792 O ARG A 116 -24.196 -11.622 -15.107 1.00 0.00 O ATOM 1793 CB ARG A 116 -26.030 -13.152 -13.555 1.00 0.00 C ATOM 1794 CG ARG A 116 -26.933 -11.970 -13.903 1.00 0.00 C ATOM 1795 CD ARG A 116 -28.031 -12.374 -14.879 1.00 0.00 C ATOM 1796 NE ARG A 116 -28.916 -11.256 -15.210 1.00 0.00 N ATOM 1797 CZ ARG A 116 -29.908 -11.326 -16.099 1.00 0.00 C ATOM 1798 NH1 ARG A 116 -30.130 -12.448 -16.776 1.00 0.00 N ATOM 1799 NH2 ARG A 116 -30.673 -10.269 -16.323 1.00 0.00 N ATOM 0 H ARG A 116 -25.201 -15.828 -15.028 1.00 0.00 H new ATOM 0 HA ARG A 116 -25.974 -13.818 -15.599 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -26.634 -13.933 -13.093 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -25.301 -12.831 -12.811 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -27.382 -11.574 -12.992 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -26.335 -11.169 -14.338 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -27.579 -12.760 -15.793 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -28.618 -13.184 -14.447 1.00 0.00 H new ATOM 0 HE ARG A 116 -28.765 -10.368 -14.731 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -29.540 -13.265 -16.618 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -30.891 -12.493 -17.454 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -30.504 -9.400 -15.816 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -31.431 -10.323 -17.003 1.00 0.00 H new ATOM 1813 N GLY A 117 -23.038 -13.469 -15.658 1.00 0.00 N ATOM 1814 CA GLY A 117 -21.872 -12.723 -16.109 1.00 0.00 C ATOM 1815 C GLY A 117 -20.821 -12.532 -15.026 1.00 0.00 C ATOM 1816 O GLY A 117 -19.706 -12.094 -15.313 1.00 0.00 O ATOM 0 H GLY A 117 -22.950 -14.482 -15.737 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -21.422 -13.243 -16.954 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -22.192 -11.746 -16.470 1.00 0.00 H new ATOM 1820 N ARG A 118 -21.159 -12.866 -13.783 1.00 0.00 N ATOM 1821 CA ARG A 118 -20.212 -12.748 -12.673 1.00 0.00 C ATOM 1822 C ARG A 118 -19.721 -14.134 -12.279 1.00 0.00 C ATOM 1823 O ARG A 118 -20.425 -15.118 -12.481 1.00 0.00 O ATOM 1824 CB ARG A 118 -20.850 -12.065 -11.446 1.00 0.00 C ATOM 1825 CG ARG A 118 -21.523 -10.725 -11.736 1.00 0.00 C ATOM 1826 CD ARG A 118 -22.921 -10.903 -12.316 1.00 0.00 C ATOM 1827 NE ARG A 118 -23.535 -9.624 -12.671 1.00 0.00 N ATOM 1828 CZ ARG A 118 -24.778 -9.269 -12.339 1.00 0.00 C ATOM 1829 NH1 ARG A 118 -25.536 -10.079 -11.606 1.00 0.00 N ATOM 1830 NH2 ARG A 118 -25.260 -8.101 -12.743 1.00 0.00 N ATOM 0 H ARG A 118 -22.078 -13.220 -13.518 1.00 0.00 H new ATOM 0 HA ARG A 118 -19.379 -12.129 -13.007 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -21.589 -12.741 -11.015 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -20.079 -11.912 -10.691 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -21.583 -10.143 -10.816 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -20.910 -10.155 -12.435 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -22.868 -11.537 -13.201 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -23.551 -11.419 -11.591 1.00 0.00 H new ATOM 0 HE ARG A 118 -22.977 -8.960 -13.207 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -25.168 -10.978 -11.294 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -26.485 -9.802 -11.356 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -24.681 -7.477 -13.306 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -26.210 -7.826 -12.491 1.00 0.00 H new ATOM 1844 N TRP A 119 -18.520 -14.217 -11.722 1.00 0.00 N ATOM 1845 CA TRP A 119 -17.989 -15.496 -11.270 1.00 0.00 C ATOM 1846 C TRP A 119 -18.380 -15.732 -9.818 1.00 0.00 C ATOM 1847 O TRP A 119 -18.319 -14.817 -8.996 1.00 0.00 O ATOM 1848 CB TRP A 119 -16.467 -15.540 -11.443 1.00 0.00 C ATOM 1849 CG TRP A 119 -16.045 -15.579 -12.881 1.00 0.00 C ATOM 1850 CD1 TRP A 119 -15.674 -14.524 -13.664 1.00 0.00 C ATOM 1851 CD2 TRP A 119 -15.973 -16.740 -13.713 1.00 0.00 C ATOM 1852 NE1 TRP A 119 -15.360 -14.962 -14.928 1.00 0.00 N ATOM 1853 CE2 TRP A 119 -15.539 -16.319 -14.983 1.00 0.00 C ATOM 1854 CE3 TRP A 119 -16.229 -18.095 -13.504 1.00 0.00 C ATOM 1855 CZ2 TRP A 119 -15.357 -17.205 -16.038 1.00 0.00 C ATOM 1856 CZ3 TRP A 119 -16.049 -18.974 -14.553 1.00 0.00 C ATOM 1857 CH2 TRP A 119 -15.616 -18.527 -15.806 1.00 0.00 C ATOM 0 H TRP A 119 -17.900 -13.421 -11.573 1.00 0.00 H new ATOM 0 HA TRP A 119 -18.416 -16.293 -11.879 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -16.026 -14.666 -10.964 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -16.073 -16.417 -10.930 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -15.633 -13.495 -13.338 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -15.045 -14.373 -15.699 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -16.562 -18.450 -12.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -15.023 -16.862 -17.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -16.246 -20.025 -14.404 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -15.484 -19.241 -16.606 1.00 0.00 H new ATOM 1868 N TYR A 120 -18.812 -16.946 -9.516 1.00 0.00 N ATOM 1869 CA TYR A 120 -19.229 -17.304 -8.169 1.00 0.00 C ATOM 1870 C TYR A 120 -18.521 -18.572 -7.712 1.00 0.00 C ATOM 1871 O TYR A 120 -18.468 -19.564 -8.442 1.00 0.00 O ATOM 1872 CB TYR A 120 -20.751 -17.491 -8.115 1.00 0.00 C ATOM 1873 CG TYR A 120 -21.534 -16.197 -8.266 1.00 0.00 C ATOM 1874 CD1 TYR A 120 -21.850 -15.424 -7.154 1.00 0.00 C ATOM 1875 CD2 TYR A 120 -21.959 -15.750 -9.513 1.00 0.00 C ATOM 1876 CE1 TYR A 120 -22.563 -14.249 -7.278 1.00 0.00 C ATOM 1877 CE2 TYR A 120 -22.674 -14.573 -9.643 1.00 0.00 C ATOM 1878 CZ TYR A 120 -22.974 -13.828 -8.523 1.00 0.00 C ATOM 1879 OH TYR A 120 -23.682 -12.651 -8.647 1.00 0.00 O ATOM 0 H TYR A 120 -18.883 -17.706 -10.192 1.00 0.00 H new ATOM 0 HA TYR A 120 -18.954 -16.494 -7.494 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -21.051 -18.180 -8.904 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -21.017 -17.957 -7.166 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -21.531 -15.749 -6.175 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -21.727 -16.331 -10.393 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -22.798 -13.662 -6.402 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -22.996 -14.239 -10.618 1.00 0.00 H new ATOM 0 HH TYR A 120 -23.896 -12.496 -9.591 1.00 0.00 H new ATOM 1889 N PHE A 121 -17.959 -18.519 -6.509 1.00 0.00 N ATOM 1890 CA PHE A 121 -17.275 -19.661 -5.912 1.00 0.00 C ATOM 1891 C PHE A 121 -18.226 -20.847 -5.765 1.00 0.00 C ATOM 1892 O PHE A 121 -19.217 -20.764 -5.039 1.00 0.00 O ATOM 1893 CB PHE A 121 -16.702 -19.272 -4.541 1.00 0.00 C ATOM 1894 CG PHE A 121 -16.261 -20.454 -3.717 1.00 0.00 C ATOM 1895 CD1 PHE A 121 -15.000 -21.002 -3.883 1.00 0.00 C ATOM 1896 CD2 PHE A 121 -17.122 -21.028 -2.790 1.00 0.00 C ATOM 1897 CE1 PHE A 121 -14.605 -22.095 -3.140 1.00 0.00 C ATOM 1898 CE2 PHE A 121 -16.733 -22.120 -2.046 1.00 0.00 C ATOM 1899 CZ PHE A 121 -15.472 -22.656 -2.220 1.00 0.00 C ATOM 0 H PHE A 121 -17.965 -17.685 -5.921 1.00 0.00 H new ATOM 0 HA PHE A 121 -16.458 -19.956 -6.571 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -15.853 -18.604 -4.687 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -17.456 -18.713 -3.986 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -14.319 -20.569 -4.601 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -18.109 -20.613 -2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -13.619 -22.513 -3.277 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -17.412 -22.556 -1.328 1.00 0.00 H new ATOM 0 HZ PHE A 121 -15.163 -23.512 -1.638 1.00 0.00 H new ATOM 1909 N SER A 122 -17.911 -21.950 -6.431 1.00 0.00 N ATOM 1910 CA SER A 122 -18.762 -23.132 -6.397 1.00 0.00 C ATOM 1911 C SER A 122 -18.165 -24.209 -5.488 1.00 0.00 C ATOM 1912 O SER A 122 -18.855 -24.764 -4.630 1.00 0.00 O ATOM 1913 CB SER A 122 -18.959 -23.675 -7.818 1.00 0.00 C ATOM 1914 OG SER A 122 -19.472 -22.667 -8.678 1.00 0.00 O ATOM 0 H SER A 122 -17.072 -22.051 -7.002 1.00 0.00 H new ATOM 0 HA SER A 122 -19.732 -22.849 -5.989 1.00 0.00 H new ATOM 0 HB2 SER A 122 -18.009 -24.042 -8.207 1.00 0.00 H new ATOM 0 HB3 SER A 122 -19.643 -24.523 -7.796 1.00 0.00 H new ATOM 0 HG SER A 122 -20.416 -22.507 -8.468 1.00 0.00 H new ATOM 1920 N GLU A 123 -16.874 -24.484 -5.658 1.00 0.00 N ATOM 1921 CA GLU A 123 -16.220 -25.563 -4.922 1.00 0.00 C ATOM 1922 C GLU A 123 -14.735 -25.268 -4.703 1.00 0.00 C ATOM 1923 O GLU A 123 -14.028 -24.859 -5.625 1.00 0.00 O ATOM 1924 CB GLU A 123 -16.410 -26.886 -5.679 1.00 0.00 C ATOM 1925 CG GLU A 123 -16.075 -26.792 -7.165 1.00 0.00 C ATOM 1926 CD GLU A 123 -16.496 -28.023 -7.949 1.00 0.00 C ATOM 1927 OE1 GLU A 123 -17.678 -28.417 -7.851 1.00 0.00 O ATOM 1928 OE2 GLU A 123 -15.663 -28.587 -8.689 1.00 0.00 O ATOM 0 H GLU A 123 -16.262 -23.977 -6.297 1.00 0.00 H new ATOM 0 HA GLU A 123 -16.681 -25.644 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -15.782 -27.651 -5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -17.444 -27.214 -5.568 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -16.565 -25.915 -7.587 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -15.001 -26.644 -7.281 1.00 0.00 H new ATOM 1935 N GLY A 124 -14.280 -25.462 -3.466 1.00 0.00 N ATOM 1936 CA GLY A 124 -12.879 -25.254 -3.123 1.00 0.00 C ATOM 1937 C GLY A 124 -12.252 -26.516 -2.564 1.00 0.00 C ATOM 1938 O GLY A 124 -12.141 -26.681 -1.346 1.00 0.00 O ATOM 0 H GLY A 124 -14.864 -25.763 -2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -12.330 -24.935 -4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -12.798 -24.451 -2.391 1.00 0.00 H new ATOM 1942 N GLU A 125 -11.847 -27.405 -3.462 1.00 0.00 N ATOM 1943 CA GLU A 125 -11.335 -28.720 -3.086 1.00 0.00 C ATOM 1944 C GLU A 125 -9.870 -28.636 -2.648 1.00 0.00 C ATOM 1945 O GLU A 125 -9.056 -27.974 -3.295 1.00 0.00 O ATOM 1946 CB GLU A 125 -11.487 -29.685 -4.269 1.00 0.00 C ATOM 1947 CG GLU A 125 -10.735 -29.241 -5.519 1.00 0.00 C ATOM 1948 CD GLU A 125 -11.059 -30.076 -6.745 1.00 0.00 C ATOM 1949 OE1 GLU A 125 -11.022 -31.321 -6.659 1.00 0.00 O ATOM 1950 OE2 GLU A 125 -11.343 -29.491 -7.809 1.00 0.00 O ATOM 0 H GLU A 125 -11.863 -27.238 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 125 -11.913 -29.092 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -11.130 -30.671 -3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -12.545 -29.788 -4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.973 -28.198 -5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -9.663 -29.292 -5.327 1.00 0.00 H new ATOM 1957 N ALA A 126 -9.543 -29.298 -1.543 1.00 0.00 N ATOM 1958 CA ALA A 126 -8.172 -29.327 -1.042 1.00 0.00 C ATOM 1959 C ALA A 126 -7.327 -30.302 -1.861 1.00 0.00 C ATOM 1960 O ALA A 126 -7.448 -31.522 -1.716 1.00 0.00 O ATOM 1961 CB ALA A 126 -8.152 -29.700 0.438 1.00 0.00 C ATOM 0 H ALA A 126 -10.209 -29.823 -0.976 1.00 0.00 H new ATOM 0 HA ALA A 126 -7.741 -28.331 -1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -7.122 -29.717 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -8.721 -28.964 1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.598 -30.686 0.571 1.00 0.00 H new