USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 914 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 74 ASN : amide:sc= 0.95 K(o=1.6,f=-3.4) USER MOD Set 1.2: A 100 LYS NZ :NH3+ -141:sc= 0.641 (180deg=-0.392) USER MOD Set 2.1: A 23 GLN :FLIP amide:sc= -0.277 F(o=0.3,f=0.98) USER MOD Set 2.2: A 46 LYS NZ :NH3+ -146:sc= 1.26 (180deg=-0.143) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0298 USER MOD Single : A 10 LYS NZ :NH3+ -164:sc= -0.0336 (180deg=-0.25) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.0276 USER MOD Single : A 14 THR OG1 : rot 81:sc= 0.565 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.5 K(o=-0.5,f=-5.5!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= -0.0292 (180deg=-0.208) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0451 USER MOD Single : A 51 THR OG1 : rot 3:sc= 0.65 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.787 USER MOD Single : A 54 ASN : amide:sc= 0.903 K(o=0.9,f=-0.067) USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= -0.0237 (180deg=-0.235) USER MOD Single : A 63 LYS NZ :NH3+ -158:sc= -0.175 (180deg=-0.569) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 74:sc= 1.08 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 68:sc= 1.27 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -118:sc= 0.0611 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.506 X(o=-0.51,f=-0.15) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0232 USER MOD Single : A 97 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0673) USER MOD Single : A 117 ASN : amide:sc= -0.103 K(o=-0.1,f=-0.81) USER MOD Single : A 118 SER OG : rot -39:sc= 0.175 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -3.493 8.470 -8.097 1.00 0.00 N ATOM 60 CA GLY A 7 -2.855 9.771 -7.969 1.00 0.00 C ATOM 61 C GLY A 7 -1.339 9.636 -8.097 1.00 0.00 C ATOM 62 O GLY A 7 -0.801 8.544 -8.326 1.00 0.00 O ATOM 0 HA2 GLY A 7 -3.233 10.445 -8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.107 10.213 -7.005 1.00 0.00 H new ATOM 66 N SER A 8 -0.630 10.752 -7.922 1.00 0.00 N ATOM 67 CA SER A 8 0.821 10.768 -7.753 1.00 0.00 C ATOM 68 C SER A 8 1.226 9.949 -6.513 1.00 0.00 C ATOM 69 O SER A 8 0.372 9.568 -5.704 1.00 0.00 O ATOM 70 CB SER A 8 1.295 12.222 -7.605 1.00 0.00 C ATOM 71 OG SER A 8 0.531 13.126 -8.389 1.00 0.00 O ATOM 0 H SER A 8 -1.053 11.680 -7.894 1.00 0.00 H new ATOM 0 HA SER A 8 1.291 10.319 -8.628 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.235 12.515 -6.557 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.343 12.290 -7.896 1.00 0.00 H new ATOM 0 HG SER A 8 0.869 14.037 -8.260 1.00 0.00 H new ATOM 77 N ALA A 9 2.528 9.739 -6.311 1.00 0.00 N ATOM 78 CA ALA A 9 3.042 9.057 -5.134 1.00 0.00 C ATOM 79 C ALA A 9 2.625 9.744 -3.838 1.00 0.00 C ATOM 80 O ALA A 9 1.817 9.187 -3.101 1.00 0.00 O ATOM 81 CB ALA A 9 4.554 8.861 -5.213 1.00 0.00 C ATOM 0 H ALA A 9 3.252 10.040 -6.963 1.00 0.00 H new ATOM 0 HA ALA A 9 2.587 8.067 -5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.902 8.348 -4.316 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.798 8.263 -6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.043 9.832 -5.288 1.00 0.00 H new ATOM 87 N LYS A 10 3.193 10.911 -3.513 1.00 0.00 N ATOM 88 CA LYS A 10 2.875 11.676 -2.295 1.00 0.00 C ATOM 89 C LYS A 10 1.394 11.981 -2.208 1.00 0.00 C ATOM 90 O LYS A 10 0.914 12.085 -1.091 1.00 0.00 O ATOM 91 CB LYS A 10 3.708 12.973 -2.236 1.00 0.00 C ATOM 92 CG LYS A 10 4.724 12.971 -1.084 1.00 0.00 C ATOM 93 CD LYS A 10 4.126 13.422 0.263 1.00 0.00 C ATOM 94 CE LYS A 10 3.869 14.930 0.349 1.00 0.00 C ATOM 95 NZ LYS A 10 5.114 15.712 0.213 1.00 0.00 N ATOM 0 H LYS A 10 3.899 11.360 -4.097 1.00 0.00 H new ATOM 0 HA LYS A 10 3.136 11.060 -1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.236 13.105 -3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.038 13.826 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.134 11.967 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.555 13.628 -1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.188 12.893 0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.803 13.131 1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.169 15.224 -0.433 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.397 15.163 1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.950 16.685 0.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.863 15.275 0.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.407 15.728 -0.785 1.00 0.00 H new ATOM 109 N ASN A 11 0.658 12.043 -3.321 1.00 0.00 N ATOM 110 CA ASN A 11 -0.779 12.307 -3.298 1.00 0.00 C ATOM 111 C ASN A 11 -1.505 11.417 -2.284 1.00 0.00 C ATOM 112 O ASN A 11 -2.364 11.910 -1.556 1.00 0.00 O ATOM 113 CB ASN A 11 -1.379 12.142 -4.700 1.00 0.00 C ATOM 114 CG ASN A 11 -2.674 12.926 -4.814 1.00 0.00 C ATOM 115 OD1 ASN A 11 -2.653 14.060 -5.277 1.00 0.00 O ATOM 116 ND2 ASN A 11 -3.793 12.382 -4.384 1.00 0.00 N ATOM 0 H ASN A 11 1.041 11.912 -4.257 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.920 13.340 -2.980 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.669 12.489 -5.450 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.566 11.087 -4.901 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.667 12.906 -4.433 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.786 11.436 -4.002 1.00 0.00 H new ATOM 123 N ALA A 12 -1.113 10.138 -2.211 1.00 0.00 N ATOM 124 CA ALA A 12 -1.620 9.180 -1.239 1.00 0.00 C ATOM 125 C ALA A 12 -1.151 9.517 0.181 1.00 0.00 C ATOM 126 O ALA A 12 -1.991 9.827 1.023 1.00 0.00 O ATOM 127 CB ALA A 12 -1.218 7.763 -1.662 1.00 0.00 C ATOM 0 H ALA A 12 -0.419 9.739 -2.843 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.708 9.236 -1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.597 7.045 -0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.639 7.543 -2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.131 7.692 -1.709 1.00 0.00 H new ATOM 133 N TYR A 13 0.160 9.492 0.469 1.00 0.00 N ATOM 134 CA TYR A 13 0.704 9.755 1.810 1.00 0.00 C ATOM 135 C TYR A 13 0.197 11.081 2.389 1.00 0.00 C ATOM 136 O TYR A 13 -0.038 11.171 3.595 1.00 0.00 O ATOM 137 CB TYR A 13 2.229 9.798 1.806 1.00 0.00 C ATOM 138 CG TYR A 13 2.842 9.929 3.191 1.00 0.00 C ATOM 139 CD1 TYR A 13 3.065 8.773 3.962 1.00 0.00 C ATOM 140 CD2 TYR A 13 3.209 11.189 3.706 1.00 0.00 C ATOM 141 CE1 TYR A 13 3.653 8.869 5.234 1.00 0.00 C ATOM 142 CE2 TYR A 13 3.790 11.289 4.983 1.00 0.00 C ATOM 143 CZ TYR A 13 4.013 10.128 5.754 1.00 0.00 C ATOM 144 OH TYR A 13 4.499 10.192 7.020 1.00 0.00 O ATOM 0 H TYR A 13 0.877 9.287 -0.227 1.00 0.00 H new ATOM 0 HA TYR A 13 0.358 8.929 2.431 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.608 8.891 1.335 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.558 10.637 1.192 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.782 7.806 3.573 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.044 12.080 3.118 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.830 7.976 5.815 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.066 12.257 5.375 1.00 0.00 H new ATOM 0 HH TYR A 13 4.706 11.123 7.244 1.00 0.00 H new ATOM 154 N THR A 14 0.043 12.099 1.539 1.00 0.00 N ATOM 155 CA THR A 14 -0.474 13.397 1.907 1.00 0.00 C ATOM 156 C THR A 14 -1.848 13.214 2.562 1.00 0.00 C ATOM 157 O THR A 14 -2.085 13.708 3.662 1.00 0.00 O ATOM 158 CB THR A 14 -0.525 14.321 0.674 1.00 0.00 C ATOM 159 OG1 THR A 14 0.799 14.620 0.263 1.00 0.00 O ATOM 160 CG2 THR A 14 -1.222 15.650 0.944 1.00 0.00 C ATOM 0 H THR A 14 0.285 12.030 0.550 1.00 0.00 H new ATOM 0 HA THR A 14 0.184 13.879 2.630 1.00 0.00 H new ATOM 0 HB THR A 14 -1.090 13.785 -0.088 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.152 13.876 -0.269 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.223 16.252 0.035 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.249 15.465 1.258 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.693 16.185 1.733 1.00 0.00 H new ATOM 168 N LYS A 15 -2.768 12.524 1.876 1.00 0.00 N ATOM 169 CA LYS A 15 -4.115 12.277 2.374 1.00 0.00 C ATOM 170 C LYS A 15 -4.058 11.386 3.615 1.00 0.00 C ATOM 171 O LYS A 15 -4.668 11.712 4.626 1.00 0.00 O ATOM 172 CB LYS A 15 -4.985 11.660 1.266 1.00 0.00 C ATOM 173 CG LYS A 15 -5.172 12.536 0.016 1.00 0.00 C ATOM 174 CD LYS A 15 -6.362 13.512 0.068 1.00 0.00 C ATOM 175 CE LYS A 15 -6.328 14.516 1.230 1.00 0.00 C ATOM 176 NZ LYS A 15 -7.454 15.477 1.179 1.00 0.00 N ATOM 0 H LYS A 15 -2.592 12.122 0.955 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.574 13.222 2.665 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.540 10.712 0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.967 11.433 1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.259 13.110 -0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.295 11.884 -0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.399 14.066 -0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.284 12.934 0.134 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.359 13.974 2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.386 15.063 1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.387 16.133 1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.412 16.014 0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.355 14.959 1.229 1.00 0.00 H new ATOM 190 N LEU A 16 -3.259 10.319 3.600 1.00 0.00 N ATOM 191 CA LEU A 16 -2.940 9.472 4.716 1.00 0.00 C ATOM 192 C LEU A 16 -2.669 10.265 5.987 1.00 0.00 C ATOM 193 O LEU A 16 -3.166 9.889 7.036 1.00 0.00 O ATOM 194 CB LEU A 16 -1.718 8.635 4.299 1.00 0.00 C ATOM 195 CG LEU A 16 -1.998 7.144 4.362 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.815 6.680 3.162 1.00 0.00 C ATOM 197 CD2 LEU A 16 -0.692 6.346 4.371 1.00 0.00 C ATOM 0 H LEU A 16 -2.794 10.016 2.744 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.788 8.831 4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.423 8.905 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.877 8.873 4.950 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.558 6.970 5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.998 5.608 3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.767 7.210 3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.265 6.890 2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.917 5.280 4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.129 6.560 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.099 6.629 5.241 1.00 0.00 H new ATOM 209 N GLY A 17 -1.882 11.339 5.906 1.00 0.00 N ATOM 210 CA GLY A 17 -1.400 12.072 7.070 1.00 0.00 C ATOM 211 C GLY A 17 -2.326 13.207 7.473 1.00 0.00 C ATOM 212 O GLY A 17 -1.968 14.017 8.328 1.00 0.00 O ATOM 0 H GLY A 17 -1.560 11.726 5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.290 11.383 7.908 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.410 12.475 6.856 1.00 0.00 H new ATOM 216 N THR A 18 -3.500 13.285 6.855 1.00 0.00 N ATOM 217 CA THR A 18 -4.464 14.348 7.043 1.00 0.00 C ATOM 218 C THR A 18 -5.840 13.756 7.397 1.00 0.00 C ATOM 219 O THR A 18 -6.750 14.499 7.771 1.00 0.00 O ATOM 220 CB THR A 18 -4.404 15.224 5.771 1.00 0.00 C ATOM 221 OG1 THR A 18 -4.403 16.591 6.099 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.495 14.959 4.735 1.00 0.00 C ATOM 0 H THR A 18 -3.812 12.581 6.186 1.00 0.00 H new ATOM 0 HA THR A 18 -4.242 14.996 7.891 1.00 0.00 H new ATOM 0 HB THR A 18 -3.465 14.934 5.299 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.363 17.124 5.278 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.359 15.627 3.884 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.433 13.924 4.397 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.473 15.136 5.183 1.00 0.00 H new ATOM 230 N ASP A 19 -5.998 12.431 7.312 1.00 0.00 N ATOM 231 CA ASP A 19 -7.245 11.700 7.446 1.00 0.00 C ATOM 232 C ASP A 19 -7.064 10.663 8.538 1.00 0.00 C ATOM 233 O ASP A 19 -6.432 9.630 8.322 1.00 0.00 O ATOM 234 CB ASP A 19 -7.598 10.984 6.140 1.00 0.00 C ATOM 235 CG ASP A 19 -8.374 11.846 5.154 1.00 0.00 C ATOM 236 OD1 ASP A 19 -9.474 12.335 5.510 1.00 0.00 O ATOM 237 OD2 ASP A 19 -7.964 11.929 3.977 1.00 0.00 O ATOM 0 H ASP A 19 -5.207 11.811 7.137 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.048 12.396 7.688 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.679 10.643 5.664 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.186 10.096 6.372 1.00 0.00 H new ATOM 242 N ASP A 20 -7.702 10.895 9.682 1.00 0.00 N ATOM 243 CA ASP A 20 -7.719 10.013 10.858 1.00 0.00 C ATOM 244 C ASP A 20 -8.221 8.583 10.557 1.00 0.00 C ATOM 245 O ASP A 20 -8.155 7.689 11.404 1.00 0.00 O ATOM 246 CB ASP A 20 -8.643 10.678 11.887 1.00 0.00 C ATOM 247 CG ASP A 20 -8.510 10.076 13.280 1.00 0.00 C ATOM 248 OD1 ASP A 20 -7.548 10.444 13.987 1.00 0.00 O ATOM 249 OD2 ASP A 20 -9.442 9.359 13.708 1.00 0.00 O ATOM 0 H ASP A 20 -8.250 11.743 9.827 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.698 9.893 11.220 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.418 11.744 11.934 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.677 10.585 11.554 1.00 0.00 H new ATOM 254 N ASN A 21 -8.764 8.378 9.354 1.00 0.00 N ATOM 255 CA ASN A 21 -9.492 7.202 8.889 1.00 0.00 C ATOM 256 C ASN A 21 -8.786 6.535 7.701 1.00 0.00 C ATOM 257 O ASN A 21 -9.320 5.589 7.129 1.00 0.00 O ATOM 258 CB ASN A 21 -10.918 7.611 8.468 1.00 0.00 C ATOM 259 CG ASN A 21 -11.624 8.467 9.506 1.00 0.00 C ATOM 260 OD1 ASN A 21 -12.231 7.978 10.454 1.00 0.00 O ATOM 261 ND2 ASN A 21 -11.573 9.779 9.360 1.00 0.00 N ATOM 0 H ASN A 21 -8.699 9.088 8.625 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.531 6.485 9.709 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.869 8.158 7.527 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.508 6.713 8.284 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.038 10.386 10.035 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.068 10.185 8.572 1.00 0.00 H new ATOM 268 N ALA A 22 -7.632 7.037 7.251 1.00 0.00 N ATOM 269 CA ALA A 22 -6.947 6.476 6.091 1.00 0.00 C ATOM 270 C ALA A 22 -6.150 5.227 6.474 1.00 0.00 C ATOM 271 O ALA A 22 -5.812 5.038 7.646 1.00 0.00 O ATOM 272 CB ALA A 22 -6.017 7.528 5.515 1.00 0.00 C ATOM 0 H ALA A 22 -7.155 7.832 7.676 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.689 6.184 5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.499 7.120 4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.597 8.401 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.286 7.820 6.269 1.00 0.00 H new ATOM 278 N GLN A 23 -5.780 4.392 5.499 1.00 0.00 N ATOM 279 CA GLN A 23 -5.003 3.169 5.712 1.00 0.00 C ATOM 280 C GLN A 23 -4.098 2.856 4.514 1.00 0.00 C ATOM 281 O GLN A 23 -4.215 3.478 3.462 1.00 0.00 O ATOM 282 CB GLN A 23 -5.960 1.991 5.931 1.00 0.00 C ATOM 283 CG GLN A 23 -6.625 1.943 7.321 1.00 0.00 C ATOM 284 CD GLN A 23 -5.695 1.580 8.476 1.00 0.00 C ATOM 285 OE1 GLN A 23 -6.217 1.548 9.694 1.00 0.00 O flip ATOM 286 NE2 GLN A 23 -4.505 1.317 8.306 1.00 0.00 N flip ATOM 0 H GLN A 23 -6.017 4.551 4.520 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.372 3.322 6.588 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.741 2.031 5.172 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.411 1.062 5.775 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.070 2.916 7.527 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.440 1.220 7.291 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.106 1.342 7.368 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.918 1.074 9.103 1.00 0.00 H new ATOM 295 N LEU A 24 -3.223 1.848 4.654 1.00 0.00 N ATOM 296 CA LEU A 24 -2.267 1.416 3.636 1.00 0.00 C ATOM 297 C LEU A 24 -2.319 -0.106 3.496 1.00 0.00 C ATOM 298 O LEU A 24 -2.232 -0.803 4.510 1.00 0.00 O ATOM 299 CB LEU A 24 -0.867 1.885 4.073 1.00 0.00 C ATOM 300 CG LEU A 24 0.212 2.049 2.997 1.00 0.00 C ATOM 301 CD1 LEU A 24 0.445 0.830 2.102 1.00 0.00 C ATOM 302 CD2 LEU A 24 -0.119 3.291 2.178 1.00 0.00 C ATOM 0 H LEU A 24 -3.164 1.296 5.510 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.509 1.848 2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.980 2.844 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.494 1.176 4.812 1.00 0.00 H new ATOM 0 HG LEU A 24 1.164 2.159 3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.228 1.055 1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.751 -0.018 2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.477 0.584 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.636 3.429 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.097 3.170 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.133 4.164 2.831 1.00 0.00 H new ATOM 314 N LEU A 25 -2.438 -0.613 2.264 1.00 0.00 N ATOM 315 CA LEU A 25 -2.410 -2.041 1.934 1.00 0.00 C ATOM 316 C LEU A 25 -1.194 -2.307 1.058 1.00 0.00 C ATOM 317 O LEU A 25 -1.215 -2.063 -0.152 1.00 0.00 O ATOM 318 CB LEU A 25 -3.733 -2.472 1.254 1.00 0.00 C ATOM 319 CG LEU A 25 -4.331 -3.830 1.654 1.00 0.00 C ATOM 320 CD1 LEU A 25 -3.689 -5.018 0.944 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.289 -4.088 3.147 1.00 0.00 C ATOM 0 H LEU A 25 -2.560 -0.021 1.443 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.324 -2.640 2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.480 -1.704 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.569 -2.482 0.176 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.369 -3.749 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.163 -5.941 1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.819 -4.912 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.625 -5.051 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.727 -5.063 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.255 -4.072 3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.856 -3.315 3.666 1.00 0.00 H new ATOM 333 N ASP A 26 -0.086 -2.736 1.656 1.00 0.00 N ATOM 334 CA ASP A 26 1.110 -3.085 0.931 1.00 0.00 C ATOM 335 C ASP A 26 0.909 -4.459 0.266 1.00 0.00 C ATOM 336 O ASP A 26 1.156 -5.506 0.869 1.00 0.00 O ATOM 337 CB ASP A 26 2.403 -2.939 1.770 1.00 0.00 C ATOM 338 CG ASP A 26 2.439 -2.890 3.301 1.00 0.00 C ATOM 339 OD1 ASP A 26 1.423 -3.108 3.979 1.00 0.00 O ATOM 340 OD2 ASP A 26 3.541 -2.612 3.831 1.00 0.00 O ATOM 0 H ASP A 26 -0.003 -2.849 2.666 1.00 0.00 H new ATOM 0 HA ASP A 26 1.273 -2.361 0.133 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.048 -3.768 1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.885 -2.024 1.426 1.00 0.00 H new ATOM 345 N ILE A 27 0.450 -4.452 -0.994 1.00 0.00 N ATOM 346 CA ILE A 27 0.263 -5.642 -1.837 1.00 0.00 C ATOM 347 C ILE A 27 1.582 -6.170 -2.416 1.00 0.00 C ATOM 348 O ILE A 27 1.551 -7.120 -3.206 1.00 0.00 O ATOM 349 CB ILE A 27 -0.796 -5.431 -2.945 1.00 0.00 C ATOM 350 CG1 ILE A 27 -0.370 -4.380 -3.989 1.00 0.00 C ATOM 351 CG2 ILE A 27 -2.165 -5.148 -2.307 1.00 0.00 C ATOM 352 CD1 ILE A 27 -1.171 -4.503 -5.290 1.00 0.00 C ATOM 0 H ILE A 27 0.190 -3.588 -1.470 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.124 -6.413 -1.171 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.884 -6.353 -3.519 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.505 -3.381 -3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.692 -4.494 -4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.908 -5.000 -3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.458 -5.993 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.102 -4.250 -1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.837 -3.743 -5.996 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.015 -5.492 -5.721 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.231 -4.362 -5.079 1.00 0.00 H new ATOM 364 N ARG A 28 2.722 -5.556 -2.081 1.00 0.00 N ATOM 365 CA ARG A 28 4.038 -6.007 -2.531 1.00 0.00 C ATOM 366 C ARG A 28 4.265 -7.441 -2.058 1.00 0.00 C ATOM 367 O ARG A 28 3.733 -7.854 -1.024 1.00 0.00 O ATOM 368 CB ARG A 28 5.148 -5.053 -2.048 1.00 0.00 C ATOM 369 CG ARG A 28 4.864 -3.618 -2.518 1.00 0.00 C ATOM 370 CD ARG A 28 6.016 -2.601 -2.472 1.00 0.00 C ATOM 371 NE ARG A 28 6.750 -2.638 -1.213 1.00 0.00 N ATOM 372 CZ ARG A 28 6.313 -2.374 0.012 1.00 0.00 C ATOM 373 NH1 ARG A 28 5.167 -1.725 0.206 1.00 0.00 N ATOM 374 NH2 ARG A 28 7.036 -2.793 1.033 1.00 0.00 N ATOM 0 H ARG A 28 2.755 -4.728 -1.487 1.00 0.00 H new ATOM 0 HA ARG A 28 4.075 -5.993 -3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.212 -5.080 -0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.113 -5.384 -2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.504 -3.669 -3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.047 -3.224 -1.913 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.703 -2.800 -3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.616 -1.599 -2.625 1.00 0.00 H new ATOM 0 HE ARG A 28 7.733 -2.903 -1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.610 -1.423 -0.594 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.845 -1.530 1.154 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.903 -3.304 0.868 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.728 -2.606 1.987 1.00 0.00 H new ATOM 388 N ALA A 29 5.007 -8.215 -2.853 1.00 0.00 N ATOM 389 CA ALA A 29 5.239 -9.623 -2.573 1.00 0.00 C ATOM 390 C ALA A 29 5.959 -9.793 -1.249 1.00 0.00 C ATOM 391 O ALA A 29 6.656 -8.893 -0.790 1.00 0.00 O ATOM 392 CB ALA A 29 6.051 -10.258 -3.689 1.00 0.00 C ATOM 0 H ALA A 29 5.459 -7.880 -3.704 1.00 0.00 H new ATOM 0 HA ALA A 29 4.272 -10.122 -2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.216 -11.312 -3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.509 -10.168 -4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.012 -9.750 -3.774 1.00 0.00 H new ATOM 398 N THR A 30 5.868 -10.970 -0.643 1.00 0.00 N ATOM 399 CA THR A 30 6.475 -11.164 0.663 1.00 0.00 C ATOM 400 C THR A 30 8.011 -11.046 0.603 1.00 0.00 C ATOM 401 O THR A 30 8.636 -10.678 1.598 1.00 0.00 O ATOM 402 CB THR A 30 5.981 -12.486 1.254 1.00 0.00 C ATOM 403 OG1 THR A 30 4.574 -12.578 1.091 1.00 0.00 O ATOM 404 CG2 THR A 30 6.281 -12.512 2.747 1.00 0.00 C ATOM 0 H THR A 30 5.391 -11.786 -1.026 1.00 0.00 H new ATOM 0 HA THR A 30 6.163 -10.366 1.336 1.00 0.00 H new ATOM 0 HB THR A 30 6.479 -13.313 0.748 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.256 -13.425 1.467 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.931 -13.452 3.172 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.356 -12.421 2.904 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.772 -11.681 3.235 1.00 0.00 H new ATOM 412 N ALA A 31 8.622 -11.288 -0.562 1.00 0.00 N ATOM 413 CA ALA A 31 10.046 -11.073 -0.762 1.00 0.00 C ATOM 414 C ALA A 31 10.433 -9.595 -0.770 1.00 0.00 C ATOM 415 O ALA A 31 11.586 -9.292 -0.452 1.00 0.00 O ATOM 416 CB ALA A 31 10.473 -11.717 -2.072 1.00 0.00 C ATOM 0 H ALA A 31 8.137 -11.638 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 31 10.562 -11.531 0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.540 -11.558 -2.225 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.268 -12.787 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.918 -11.269 -2.896 1.00 0.00 H new ATOM 422 N ASP A 32 9.513 -8.693 -1.123 1.00 0.00 N ATOM 423 CA ASP A 32 9.745 -7.250 -1.181 1.00 0.00 C ATOM 424 C ASP A 32 10.240 -6.762 0.163 1.00 0.00 C ATOM 425 O ASP A 32 11.300 -6.150 0.236 1.00 0.00 O ATOM 426 CB ASP A 32 8.468 -6.497 -1.541 1.00 0.00 C ATOM 427 CG ASP A 32 8.688 -4.992 -1.505 1.00 0.00 C ATOM 428 OD1 ASP A 32 8.727 -4.418 -0.395 1.00 0.00 O ATOM 429 OD2 ASP A 32 8.686 -4.379 -2.586 1.00 0.00 O ATOM 0 H ASP A 32 8.562 -8.955 -1.383 1.00 0.00 H new ATOM 0 HA ASP A 32 10.491 -7.060 -1.953 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.135 -6.795 -2.535 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.674 -6.768 -0.845 1.00 0.00 H new ATOM 434 N PHE A 33 9.549 -7.124 1.246 1.00 0.00 N ATOM 435 CA PHE A 33 9.894 -6.647 2.580 1.00 0.00 C ATOM 436 C PHE A 33 11.285 -7.123 3.019 1.00 0.00 C ATOM 437 O PHE A 33 11.770 -6.699 4.070 1.00 0.00 O ATOM 438 CB PHE A 33 8.807 -7.080 3.569 1.00 0.00 C ATOM 439 CG PHE A 33 7.400 -6.767 3.090 1.00 0.00 C ATOM 440 CD1 PHE A 33 6.862 -5.479 3.246 1.00 0.00 C ATOM 441 CD2 PHE A 33 6.659 -7.748 2.407 1.00 0.00 C ATOM 442 CE1 PHE A 33 5.575 -5.186 2.765 1.00 0.00 C ATOM 443 CE2 PHE A 33 5.384 -7.447 1.897 1.00 0.00 C ATOM 444 CZ PHE A 33 4.836 -6.168 2.087 1.00 0.00 C ATOM 0 H PHE A 33 8.744 -7.749 1.221 1.00 0.00 H new ATOM 0 HA PHE A 33 9.941 -5.558 2.560 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.893 -8.152 3.746 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.977 -6.584 4.525 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.440 -4.711 3.738 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.071 -8.737 2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.153 -4.203 2.917 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.826 -8.199 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.849 -5.941 1.713 1.00 0.00 H new ATOM 454 N ARG A 34 11.928 -8.018 2.256 1.00 0.00 N ATOM 455 CA ARG A 34 13.278 -8.489 2.508 1.00 0.00 C ATOM 456 C ARG A 34 14.332 -7.759 1.676 1.00 0.00 C ATOM 457 O ARG A 34 15.481 -7.703 2.114 1.00 0.00 O ATOM 458 CB ARG A 34 13.388 -9.986 2.215 1.00 0.00 C ATOM 459 CG ARG A 34 12.182 -10.820 2.674 1.00 0.00 C ATOM 460 CD ARG A 34 12.516 -12.305 2.611 1.00 0.00 C ATOM 461 NE ARG A 34 13.503 -12.684 3.635 1.00 0.00 N ATOM 462 CZ ARG A 34 13.803 -13.931 4.004 1.00 0.00 C ATOM 463 NH1 ARG A 34 13.258 -14.968 3.382 1.00 0.00 N ATOM 464 NH2 ARG A 34 14.650 -14.126 5.001 1.00 0.00 N ATOM 0 H ARG A 34 11.505 -8.439 1.429 1.00 0.00 H new ATOM 0 HA ARG A 34 13.473 -8.284 3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.520 -10.124 1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 34 14.285 -10.372 2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.906 -10.545 3.692 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.321 -10.606 2.041 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.606 -12.889 2.749 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.905 -12.549 1.622 1.00 0.00 H new ATOM 0 HE ARG A 34 14.001 -11.927 4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.604 -14.816 2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.493 -15.917 3.671 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.067 -13.328 5.480 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.886 -15.075 5.291 1.00 0.00 H new ATOM 478 N GLN A 35 13.975 -7.281 0.478 1.00 0.00 N ATOM 479 CA GLN A 35 14.900 -6.768 -0.540 1.00 0.00 C ATOM 480 C GLN A 35 14.699 -5.286 -0.859 1.00 0.00 C ATOM 481 O GLN A 35 15.604 -4.638 -1.389 1.00 0.00 O ATOM 482 CB GLN A 35 14.774 -7.614 -1.815 1.00 0.00 C ATOM 483 CG GLN A 35 13.466 -7.472 -2.608 1.00 0.00 C ATOM 484 CD GLN A 35 13.341 -8.520 -3.718 1.00 0.00 C ATOM 485 OE1 GLN A 35 13.509 -9.714 -3.481 1.00 0.00 O ATOM 486 NE2 GLN A 35 12.988 -8.141 -4.934 1.00 0.00 N ATOM 0 H GLN A 35 13.000 -7.239 0.180 1.00 0.00 H new ATOM 0 HA GLN A 35 15.906 -6.850 -0.128 1.00 0.00 H new ATOM 0 HB2 GLN A 35 15.603 -7.360 -2.476 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.895 -8.662 -1.542 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.620 -7.564 -1.927 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.416 -6.475 -3.046 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.847 -7.152 -5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.857 -8.838 -5.667 1.00 0.00 H new ATOM 495 N VAL A 36 13.530 -4.760 -0.520 1.00 0.00 N ATOM 496 CA VAL A 36 13.173 -3.357 -0.533 1.00 0.00 C ATOM 497 C VAL A 36 13.055 -2.958 0.939 1.00 0.00 C ATOM 498 O VAL A 36 13.986 -2.353 1.462 1.00 0.00 O ATOM 499 CB VAL A 36 11.901 -3.094 -1.373 1.00 0.00 C ATOM 500 CG1 VAL A 36 11.667 -1.585 -1.523 1.00 0.00 C ATOM 501 CG2 VAL A 36 11.988 -3.708 -2.777 1.00 0.00 C ATOM 0 H VAL A 36 12.756 -5.347 -0.208 1.00 0.00 H new ATOM 0 HA VAL A 36 13.923 -2.738 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 36 11.075 -3.564 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.769 -1.413 -2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.542 -1.136 -0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.524 -1.132 -2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.070 -3.495 -3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 36 12.837 -3.279 -3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.119 -4.787 -2.695 1.00 0.00 H new ATOM 511 N GLY A 37 11.983 -3.329 1.645 1.00 0.00 N ATOM 512 CA GLY A 37 11.699 -2.874 3.005 1.00 0.00 C ATOM 513 C GLY A 37 10.205 -2.607 3.138 1.00 0.00 C ATOM 514 O GLY A 37 9.428 -3.238 2.424 1.00 0.00 O ATOM 0 H GLY A 37 11.276 -3.966 1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.012 -3.628 3.727 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.264 -1.968 3.224 1.00 0.00 H new ATOM 518 N SER A 38 9.780 -1.717 4.041 1.00 0.00 N ATOM 519 CA SER A 38 8.354 -1.458 4.253 1.00 0.00 C ATOM 520 C SER A 38 8.076 0.033 4.509 1.00 0.00 C ATOM 521 O SER A 38 8.948 0.713 5.048 1.00 0.00 O ATOM 522 CB SER A 38 7.832 -2.325 5.413 1.00 0.00 C ATOM 523 OG SER A 38 8.558 -3.534 5.590 1.00 0.00 O ATOM 0 H SER A 38 10.401 -1.166 4.634 1.00 0.00 H new ATOM 0 HA SER A 38 7.821 -1.728 3.342 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.875 -1.747 6.336 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.783 -2.563 5.234 1.00 0.00 H new ATOM 0 HG SER A 38 8.178 -4.037 6.341 1.00 0.00 H new ATOM 529 N PRO A 39 6.873 0.550 4.202 1.00 0.00 N ATOM 530 CA PRO A 39 6.505 1.947 4.422 1.00 0.00 C ATOM 531 C PRO A 39 6.292 2.256 5.909 1.00 0.00 C ATOM 532 O PRO A 39 5.527 1.578 6.601 1.00 0.00 O ATOM 533 CB PRO A 39 5.237 2.144 3.584 1.00 0.00 C ATOM 534 CG PRO A 39 4.583 0.761 3.584 1.00 0.00 C ATOM 535 CD PRO A 39 5.786 -0.172 3.556 1.00 0.00 C ATOM 0 HA PRO A 39 7.293 2.638 4.122 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.581 2.897 4.021 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.473 2.475 2.573 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.967 0.603 4.470 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.938 0.617 2.717 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.570 -1.102 4.081 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.049 -0.438 2.532 1.00 0.00 H new ATOM 543 N ASN A 40 6.999 3.266 6.431 1.00 0.00 N ATOM 544 CA ASN A 40 6.774 3.743 7.797 1.00 0.00 C ATOM 545 C ASN A 40 5.664 4.776 7.737 1.00 0.00 C ATOM 546 O ASN A 40 5.922 5.982 7.683 1.00 0.00 O ATOM 547 CB ASN A 40 8.023 4.311 8.500 1.00 0.00 C ATOM 548 CG ASN A 40 7.733 4.571 9.985 1.00 0.00 C ATOM 549 OD1 ASN A 40 6.614 4.884 10.384 1.00 0.00 O ATOM 550 ND2 ASN A 40 8.702 4.381 10.861 1.00 0.00 N ATOM 0 H ASN A 40 7.731 3.767 5.927 1.00 0.00 H new ATOM 0 HA ASN A 40 6.498 2.885 8.410 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.852 3.610 8.403 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.330 5.238 8.016 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.518 4.494 11.858 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.635 4.121 10.541 1.00 0.00 H new ATOM 557 N ILE A 41 4.420 4.311 7.741 1.00 0.00 N ATOM 558 CA ILE A 41 3.280 5.188 7.990 1.00 0.00 C ATOM 559 C ILE A 41 2.925 5.229 9.478 1.00 0.00 C ATOM 560 O ILE A 41 1.994 5.926 9.870 1.00 0.00 O ATOM 561 CB ILE A 41 2.095 4.820 7.091 1.00 0.00 C ATOM 562 CG1 ILE A 41 1.567 3.376 7.250 1.00 0.00 C ATOM 563 CG2 ILE A 41 2.492 5.091 5.630 1.00 0.00 C ATOM 564 CD1 ILE A 41 0.032 3.379 7.252 1.00 0.00 C ATOM 0 H ILE A 41 4.175 3.335 7.575 1.00 0.00 H new ATOM 0 HA ILE A 41 3.561 6.206 7.721 1.00 0.00 H new ATOM 0 HB ILE A 41 1.260 5.446 7.406 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.937 2.752 6.436 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.940 2.943 8.178 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.660 4.835 4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.738 6.146 5.509 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.360 4.484 5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.334 2.358 7.364 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.330 3.987 8.081 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.332 3.793 6.312 1.00 0.00 H new ATOM 576 N LYS A 42 3.660 4.495 10.321 1.00 0.00 N ATOM 577 CA LYS A 42 3.401 4.462 11.749 1.00 0.00 C ATOM 578 C LYS A 42 3.528 5.857 12.341 1.00 0.00 C ATOM 579 O LYS A 42 2.731 6.203 13.202 1.00 0.00 O ATOM 580 CB LYS A 42 4.333 3.465 12.449 1.00 0.00 C ATOM 581 CG LYS A 42 3.652 2.583 13.508 1.00 0.00 C ATOM 582 CD LYS A 42 2.983 3.307 14.686 1.00 0.00 C ATOM 583 CE LYS A 42 3.863 4.269 15.502 1.00 0.00 C ATOM 584 NZ LYS A 42 5.089 3.650 16.051 1.00 0.00 N ATOM 0 H LYS A 42 4.445 3.913 10.027 1.00 0.00 H new ATOM 0 HA LYS A 42 2.379 4.121 11.911 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.785 2.820 11.695 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.144 4.018 12.923 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.897 1.975 13.009 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.398 1.897 13.910 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.133 3.870 14.300 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.584 2.553 15.365 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.146 5.110 14.869 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.274 4.673 16.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.627 4.361 16.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.829 2.865 16.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.674 3.288 15.271 1.00 0.00 H new ATOM 598 N GLY A 43 4.460 6.672 11.846 1.00 0.00 N ATOM 599 CA GLY A 43 4.596 8.053 12.280 1.00 0.00 C ATOM 600 C GLY A 43 3.382 8.928 11.947 1.00 0.00 C ATOM 601 O GLY A 43 3.267 9.997 12.544 1.00 0.00 O ATOM 0 H GLY A 43 5.136 6.390 11.136 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.761 8.071 13.357 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.482 8.485 11.815 1.00 0.00 H new ATOM 605 N LEU A 44 2.498 8.531 11.020 1.00 0.00 N ATOM 606 CA LEU A 44 1.217 9.207 10.781 1.00 0.00 C ATOM 607 C LEU A 44 0.191 8.797 11.834 1.00 0.00 C ATOM 608 O LEU A 44 -0.699 9.582 12.151 1.00 0.00 O ATOM 609 CB LEU A 44 0.712 8.969 9.335 1.00 0.00 C ATOM 610 CG LEU A 44 -0.445 7.971 9.103 1.00 0.00 C ATOM 611 CD1 LEU A 44 -1.856 8.475 9.440 1.00 0.00 C ATOM 612 CD2 LEU A 44 -0.477 7.645 7.612 1.00 0.00 C ATOM 0 H LEU A 44 2.654 7.727 10.412 1.00 0.00 H new ATOM 0 HA LEU A 44 1.370 10.282 10.879 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.402 9.933 8.931 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.561 8.633 8.740 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.235 7.135 9.770 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.582 7.688 9.236 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.903 8.748 10.494 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.086 9.348 8.829 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.284 6.941 7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.643 8.560 7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.474 7.201 7.316 1.00 0.00 H new ATOM 624 N GLY A 45 0.281 7.568 12.341 1.00 0.00 N ATOM 625 CA GLY A 45 -0.669 7.034 13.296 1.00 0.00 C ATOM 626 C GLY A 45 -0.498 5.538 13.518 1.00 0.00 C ATOM 627 O GLY A 45 -0.657 5.067 14.642 1.00 0.00 O ATOM 0 H GLY A 45 1.025 6.915 12.094 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.554 7.554 14.247 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.682 7.232 12.945 1.00 0.00 H new ATOM 631 N LYS A 46 -0.269 4.759 12.452 1.00 0.00 N ATOM 632 CA LYS A 46 -0.329 3.295 12.526 1.00 0.00 C ATOM 633 C LYS A 46 0.344 2.642 11.331 1.00 0.00 C ATOM 634 O LYS A 46 0.645 3.313 10.351 1.00 0.00 O ATOM 635 CB LYS A 46 -1.774 2.775 12.706 1.00 0.00 C ATOM 636 CG LYS A 46 -2.899 3.550 12.005 1.00 0.00 C ATOM 637 CD LYS A 46 -2.781 3.661 10.478 1.00 0.00 C ATOM 638 CE LYS A 46 -3.795 4.643 9.879 1.00 0.00 C ATOM 639 NZ LYS A 46 -5.201 4.351 10.223 1.00 0.00 N ATOM 0 H LYS A 46 -0.040 5.121 11.526 1.00 0.00 H new ATOM 0 HA LYS A 46 0.228 3.008 13.418 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.807 1.744 12.355 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.994 2.755 13.773 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.848 3.071 12.244 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.936 4.556 12.422 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.772 3.982 10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.927 2.677 10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.552 5.650 10.218 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.690 4.638 8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.815 4.610 9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.305 3.336 10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.475 4.901 11.062 1.00 0.00 H new ATOM 653 N LYS A 47 0.634 1.348 11.418 1.00 0.00 N ATOM 654 CA LYS A 47 1.332 0.606 10.370 1.00 0.00 C ATOM 655 C LYS A 47 0.388 0.329 9.199 1.00 0.00 C ATOM 656 O LYS A 47 -0.829 0.474 9.320 1.00 0.00 O ATOM 657 CB LYS A 47 1.927 -0.693 10.960 1.00 0.00 C ATOM 658 CG LYS A 47 3.159 -1.218 10.193 1.00 0.00 C ATOM 659 CD LYS A 47 4.423 -0.387 10.419 1.00 0.00 C ATOM 660 CE LYS A 47 5.371 -0.909 11.509 1.00 0.00 C ATOM 661 NZ LYS A 47 5.912 -2.257 11.223 1.00 0.00 N ATOM 0 H LYS A 47 0.389 0.777 12.227 1.00 0.00 H new ATOM 0 HA LYS A 47 2.157 1.203 9.983 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.206 -0.515 11.999 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.157 -1.465 10.965 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.353 -2.247 10.495 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.932 -1.236 9.127 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.973 -0.331 9.480 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.127 0.630 10.676 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.200 -0.210 11.624 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.840 -0.933 12.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.733 -2.439 11.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.179 -2.971 11.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.205 -2.309 10.226 1.00 0.00 H new ATOM 675 N ALA A 48 0.959 -0.081 8.067 1.00 0.00 N ATOM 676 CA ALA A 48 0.274 -0.660 6.922 1.00 0.00 C ATOM 677 C ALA A 48 -0.181 -2.098 7.221 1.00 0.00 C ATOM 678 O ALA A 48 -0.028 -2.585 8.348 1.00 0.00 O ATOM 679 CB ALA A 48 1.243 -0.594 5.737 1.00 0.00 C ATOM 0 H ALA A 48 1.966 -0.013 7.921 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.634 -0.104 6.688 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.767 -1.020 4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.508 0.445 5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.144 -1.160 5.972 1.00 0.00 H new ATOM 685 N VAL A 49 -0.745 -2.764 6.218 1.00 0.00 N ATOM 686 CA VAL A 49 -1.179 -4.157 6.233 1.00 0.00 C ATOM 687 C VAL A 49 -0.573 -4.843 5.004 1.00 0.00 C ATOM 688 O VAL A 49 -1.015 -4.628 3.876 1.00 0.00 O ATOM 689 CB VAL A 49 -2.719 -4.235 6.249 1.00 0.00 C ATOM 690 CG1 VAL A 49 -3.191 -5.686 6.067 1.00 0.00 C ATOM 691 CG2 VAL A 49 -3.339 -3.662 7.535 1.00 0.00 C ATOM 0 H VAL A 49 -0.922 -2.318 5.318 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.836 -4.669 7.132 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.059 -3.621 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.280 -5.719 6.081 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.829 -6.069 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.799 -6.301 6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.425 -3.746 7.484 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.971 -4.220 8.396 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.061 -2.613 7.637 1.00 0.00 H new ATOM 701 N SER A 50 0.462 -5.647 5.225 1.00 0.00 N ATOM 702 CA SER A 50 1.170 -6.343 4.163 1.00 0.00 C ATOM 703 C SER A 50 0.329 -7.557 3.765 1.00 0.00 C ATOM 704 O SER A 50 0.078 -8.445 4.586 1.00 0.00 O ATOM 705 CB SER A 50 2.566 -6.738 4.650 1.00 0.00 C ATOM 706 OG SER A 50 2.587 -7.238 5.982 1.00 0.00 O ATOM 0 H SER A 50 0.834 -5.834 6.156 1.00 0.00 H new ATOM 0 HA SER A 50 1.308 -5.707 3.288 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.974 -7.495 3.981 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.222 -5.870 4.587 1.00 0.00 H new ATOM 0 HG SER A 50 3.506 -7.472 6.229 1.00 0.00 H new ATOM 712 N THR A 51 -0.168 -7.617 2.534 1.00 0.00 N ATOM 713 CA THR A 51 -0.973 -8.736 2.056 1.00 0.00 C ATOM 714 C THR A 51 -0.814 -8.788 0.544 1.00 0.00 C ATOM 715 O THR A 51 -1.417 -7.972 -0.150 1.00 0.00 O ATOM 716 CB THR A 51 -2.440 -8.534 2.481 1.00 0.00 C ATOM 717 OG1 THR A 51 -2.553 -8.582 3.889 1.00 0.00 O ATOM 718 CG2 THR A 51 -3.385 -9.607 1.937 1.00 0.00 C ATOM 0 H THR A 51 -0.023 -6.887 1.836 1.00 0.00 H new ATOM 0 HA THR A 51 -0.648 -9.684 2.485 1.00 0.00 H new ATOM 0 HB THR A 51 -2.725 -7.564 2.073 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.663 -8.687 4.285 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.401 -9.403 2.275 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.357 -9.598 0.847 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.072 -10.586 2.300 1.00 0.00 H new ATOM 726 N VAL A 52 0.009 -9.707 0.023 1.00 0.00 N ATOM 727 CA VAL A 52 0.201 -9.818 -1.419 1.00 0.00 C ATOM 728 C VAL A 52 -1.163 -10.078 -2.059 1.00 0.00 C ATOM 729 O VAL A 52 -1.863 -11.014 -1.654 1.00 0.00 O ATOM 730 CB VAL A 52 1.226 -10.906 -1.811 1.00 0.00 C ATOM 731 CG1 VAL A 52 1.761 -10.590 -3.212 1.00 0.00 C ATOM 732 CG2 VAL A 52 2.387 -11.059 -0.820 1.00 0.00 C ATOM 0 H VAL A 52 0.545 -10.376 0.576 1.00 0.00 H new ATOM 0 HA VAL A 52 0.623 -8.884 -1.789 1.00 0.00 H new ATOM 0 HB VAL A 52 0.704 -11.863 -1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.487 -11.349 -3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.936 -10.584 -3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.242 -9.612 -3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.061 -11.842 -1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.931 -10.117 -0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.995 -11.327 0.161 1.00 0.00 H new ATOM 742 N TYR A 53 -1.556 -9.237 -3.019 1.00 0.00 N ATOM 743 CA TYR A 53 -2.763 -9.493 -3.785 1.00 0.00 C ATOM 744 C TYR A 53 -2.534 -10.706 -4.689 1.00 0.00 C ATOM 745 O TYR A 53 -1.427 -10.928 -5.195 1.00 0.00 O ATOM 746 CB TYR A 53 -3.224 -8.250 -4.566 1.00 0.00 C ATOM 747 CG TYR A 53 -4.460 -8.543 -5.411 1.00 0.00 C ATOM 748 CD1 TYR A 53 -5.591 -9.109 -4.789 1.00 0.00 C ATOM 749 CD2 TYR A 53 -4.480 -8.343 -6.807 1.00 0.00 C ATOM 750 CE1 TYR A 53 -6.681 -9.562 -5.547 1.00 0.00 C ATOM 751 CE2 TYR A 53 -5.529 -8.864 -7.576 1.00 0.00 C ATOM 752 CZ TYR A 53 -6.641 -9.468 -6.952 1.00 0.00 C ATOM 753 OH TYR A 53 -7.689 -9.938 -7.679 1.00 0.00 O ATOM 0 H TYR A 53 -1.058 -8.385 -3.277 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.580 -9.722 -3.100 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.443 -7.442 -3.868 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.416 -7.904 -5.210 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.619 -9.195 -3.713 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.686 -7.788 -7.284 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.547 -9.981 -5.056 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.486 -8.803 -8.653 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.513 -9.801 -8.633 1.00 0.00 H new ATOM 763 N ASN A 54 -3.590 -11.495 -4.875 1.00 0.00 N ATOM 764 CA ASN A 54 -3.654 -12.605 -5.811 1.00 0.00 C ATOM 765 C ASN A 54 -5.071 -12.705 -6.357 1.00 0.00 C ATOM 766 O ASN A 54 -6.036 -12.758 -5.596 1.00 0.00 O ATOM 767 CB ASN A 54 -3.163 -13.927 -5.188 1.00 0.00 C ATOM 768 CG ASN A 54 -3.722 -14.377 -3.832 1.00 0.00 C ATOM 769 OD1 ASN A 54 -2.991 -14.983 -3.049 1.00 0.00 O ATOM 770 ND2 ASN A 54 -4.982 -14.147 -3.507 1.00 0.00 N ATOM 0 H ASN A 54 -4.458 -11.370 -4.354 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.971 -12.414 -6.639 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.367 -14.722 -5.905 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.080 -13.858 -5.088 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.345 -14.471 -2.611 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.592 -13.645 -4.153 1.00 0.00 H new ATOM 777 N GLY A 55 -5.207 -12.720 -7.679 1.00 0.00 N ATOM 778 CA GLY A 55 -6.501 -12.781 -8.337 1.00 0.00 C ATOM 779 C GLY A 55 -6.978 -14.202 -8.583 1.00 0.00 C ATOM 780 O GLY A 55 -8.149 -14.382 -8.914 1.00 0.00 O ATOM 0 H GLY A 55 -4.417 -12.690 -8.324 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.237 -12.257 -7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.443 -12.254 -9.289 1.00 0.00 H new ATOM 784 N GLU A 56 -6.123 -15.208 -8.379 1.00 0.00 N ATOM 785 CA GLU A 56 -6.520 -16.610 -8.337 1.00 0.00 C ATOM 786 C GLU A 56 -7.647 -16.791 -7.319 1.00 0.00 C ATOM 787 O GLU A 56 -8.673 -17.414 -7.604 1.00 0.00 O ATOM 788 CB GLU A 56 -5.299 -17.451 -7.948 1.00 0.00 C ATOM 789 CG GLU A 56 -5.657 -18.921 -7.712 1.00 0.00 C ATOM 790 CD GLU A 56 -4.408 -19.782 -7.568 1.00 0.00 C ATOM 791 OE1 GLU A 56 -3.628 -19.551 -6.611 1.00 0.00 O ATOM 792 OE2 GLU A 56 -4.248 -20.733 -8.361 1.00 0.00 O ATOM 0 H GLU A 56 -5.123 -15.065 -8.237 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.884 -16.933 -9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.549 -17.384 -8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.850 -17.039 -7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.267 -19.009 -6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.260 -19.288 -8.543 1.00 0.00 H new ATOM 799 N ASP A 57 -7.457 -16.214 -6.135 1.00 0.00 N ATOM 800 CA ASP A 57 -8.320 -16.357 -4.982 1.00 0.00 C ATOM 801 C ASP A 57 -8.703 -14.978 -4.462 1.00 0.00 C ATOM 802 O ASP A 57 -8.424 -14.607 -3.330 1.00 0.00 O ATOM 803 CB ASP A 57 -7.718 -17.320 -3.943 1.00 0.00 C ATOM 804 CG ASP A 57 -6.345 -16.927 -3.394 1.00 0.00 C ATOM 805 OD1 ASP A 57 -5.332 -17.260 -4.055 1.00 0.00 O ATOM 806 OD2 ASP A 57 -6.255 -16.456 -2.237 1.00 0.00 O ATOM 0 H ASP A 57 -6.658 -15.607 -5.953 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.257 -16.839 -5.262 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.413 -17.405 -3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.639 -18.309 -4.394 1.00 0.00 H new ATOM 811 N LYS A 58 -9.479 -14.268 -5.285 1.00 0.00 N ATOM 812 CA LYS A 58 -10.287 -13.103 -4.908 1.00 0.00 C ATOM 813 C LYS A 58 -10.929 -13.250 -3.511 1.00 0.00 C ATOM 814 O LYS A 58 -10.560 -12.509 -2.594 1.00 0.00 O ATOM 815 CB LYS A 58 -11.310 -12.829 -6.032 1.00 0.00 C ATOM 816 CG LYS A 58 -10.758 -12.030 -7.218 1.00 0.00 C ATOM 817 CD LYS A 58 -10.810 -10.514 -6.977 1.00 0.00 C ATOM 818 CE LYS A 58 -10.644 -9.737 -8.289 1.00 0.00 C ATOM 819 NZ LYS A 58 -11.829 -9.871 -9.159 1.00 0.00 N ATOM 0 H LYS A 58 -9.566 -14.498 -6.275 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.641 -12.231 -4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.691 -13.782 -6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.157 -12.289 -5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.727 -12.330 -7.407 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.330 -12.273 -8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.760 -10.249 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.023 -10.227 -6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.472 -8.683 -8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.762 -10.100 -8.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.822 -9.115 -9.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.808 -10.796 -9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.692 -9.796 -8.584 1.00 0.00 H new ATOM 833 N PRO A 59 -11.838 -14.214 -3.281 1.00 0.00 N ATOM 834 CA PRO A 59 -12.429 -14.473 -1.967 1.00 0.00 C ATOM 835 C PRO A 59 -11.490 -15.147 -0.961 1.00 0.00 C ATOM 836 O PRO A 59 -11.906 -15.426 0.163 1.00 0.00 O ATOM 837 CB PRO A 59 -13.598 -15.410 -2.248 1.00 0.00 C ATOM 838 CG PRO A 59 -13.133 -16.199 -3.463 1.00 0.00 C ATOM 839 CD PRO A 59 -12.374 -15.147 -4.257 1.00 0.00 C ATOM 0 HA PRO A 59 -12.699 -13.523 -1.506 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.803 -16.063 -1.399 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.515 -14.858 -2.454 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.495 -17.038 -3.184 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.971 -16.609 -4.027 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.574 -15.602 -4.841 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.033 -14.639 -4.961 1.00 0.00 H new ATOM 847 N GLY A 60 -10.251 -15.425 -1.337 1.00 0.00 N ATOM 848 CA GLY A 60 -9.182 -15.915 -0.477 1.00 0.00 C ATOM 849 C GLY A 60 -8.177 -14.831 -0.084 1.00 0.00 C ATOM 850 O GLY A 60 -7.179 -15.162 0.547 1.00 0.00 O ATOM 0 H GLY A 60 -9.947 -15.309 -2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.618 -16.341 0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.655 -16.721 -0.987 1.00 0.00 H new ATOM 854 N PHE A 61 -8.428 -13.551 -0.385 1.00 0.00 N ATOM 855 CA PHE A 61 -7.516 -12.436 -0.119 1.00 0.00 C ATOM 856 C PHE A 61 -8.094 -11.460 0.912 1.00 0.00 C ATOM 857 O PHE A 61 -7.403 -11.067 1.856 1.00 0.00 O ATOM 858 CB PHE A 61 -7.198 -11.757 -1.462 1.00 0.00 C ATOM 859 CG PHE A 61 -6.700 -10.328 -1.383 1.00 0.00 C ATOM 860 CD1 PHE A 61 -5.354 -10.057 -1.076 1.00 0.00 C ATOM 861 CD2 PHE A 61 -7.582 -9.263 -1.656 1.00 0.00 C ATOM 862 CE1 PHE A 61 -4.892 -8.727 -1.068 1.00 0.00 C ATOM 863 CE2 PHE A 61 -7.120 -7.936 -1.635 1.00 0.00 C ATOM 864 CZ PHE A 61 -5.768 -7.671 -1.357 1.00 0.00 C ATOM 0 H PHE A 61 -9.296 -13.256 -0.833 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.592 -12.805 0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.447 -12.354 -1.980 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.098 -11.774 -2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.677 -10.867 -0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.618 -9.468 -1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.857 -8.519 -0.838 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.802 -7.122 -1.832 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.404 -6.654 -1.366 1.00 0.00 H new ATOM 874 N LEU A 62 -9.370 -11.087 0.782 1.00 0.00 N ATOM 875 CA LEU A 62 -10.073 -10.166 1.690 1.00 0.00 C ATOM 876 C LEU A 62 -10.154 -10.695 3.136 1.00 0.00 C ATOM 877 O LEU A 62 -10.487 -9.948 4.057 1.00 0.00 O ATOM 878 CB LEU A 62 -11.473 -9.850 1.137 1.00 0.00 C ATOM 879 CG LEU A 62 -11.464 -9.128 -0.227 1.00 0.00 C ATOM 880 CD1 LEU A 62 -12.824 -9.301 -0.899 1.00 0.00 C ATOM 881 CD2 LEU A 62 -11.116 -7.637 -0.117 1.00 0.00 C ATOM 0 H LEU A 62 -9.962 -11.424 0.023 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.489 -9.247 1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.032 -10.781 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.006 -9.232 1.859 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.680 -9.585 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.821 -8.792 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -13.023 -10.362 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.600 -8.873 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.126 -7.187 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.850 -7.138 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.124 -7.526 0.321 1.00 0.00 H new ATOM 893 N LYS A 63 -9.737 -11.941 3.373 1.00 0.00 N ATOM 894 CA LYS A 63 -9.495 -12.608 4.645 1.00 0.00 C ATOM 895 C LYS A 63 -8.352 -11.989 5.433 1.00 0.00 C ATOM 896 O LYS A 63 -8.202 -12.319 6.614 1.00 0.00 O ATOM 897 CB LYS A 63 -9.292 -14.115 4.411 1.00 0.00 C ATOM 898 CG LYS A 63 -8.218 -14.482 3.369 1.00 0.00 C ATOM 899 CD LYS A 63 -6.798 -14.119 3.806 1.00 0.00 C ATOM 900 CE LYS A 63 -5.704 -14.928 3.105 1.00 0.00 C ATOM 901 NZ LYS A 63 -5.865 -16.385 3.243 1.00 0.00 N ATOM 0 H LYS A 63 -9.542 -12.569 2.594 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.378 -12.467 5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.027 -14.581 5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.242 -14.548 4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.266 -15.553 3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.443 -13.973 2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.630 -13.059 3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.711 -14.267 4.882 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.697 -14.671 2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.734 -14.639 3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.948 -16.852 3.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.212 -16.607 4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.549 -16.727 2.538 1.00 0.00 H new ATOM 915 N LYS A 64 -7.599 -11.058 4.841 1.00 0.00 N ATOM 916 CA LYS A 64 -6.659 -10.199 5.544 1.00 0.00 C ATOM 917 C LYS A 64 -7.150 -8.746 5.588 1.00 0.00 C ATOM 918 O LYS A 64 -6.399 -7.886 6.025 1.00 0.00 O ATOM 919 CB LYS A 64 -5.271 -10.273 4.878 1.00 0.00 C ATOM 920 CG LYS A 64 -4.469 -11.580 5.057 1.00 0.00 C ATOM 921 CD LYS A 64 -3.185 -11.407 5.897 1.00 0.00 C ATOM 922 CE LYS A 64 -2.109 -12.421 5.477 1.00 0.00 C ATOM 923 NZ LYS A 64 -1.034 -12.569 6.484 1.00 0.00 N ATOM 0 H LYS A 64 -7.631 -10.881 3.837 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.583 -10.556 6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.400 -10.100 3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.667 -9.451 5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.107 -12.325 5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.201 -11.969 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.801 -10.394 5.776 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.418 -11.536 6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.577 -13.391 5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.672 -12.108 4.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.337 -13.264 6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.566 -11.652 6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.443 -12.895 7.383 1.00 0.00 H new ATOM 937 N LEU A 65 -8.369 -8.436 5.135 1.00 0.00 N ATOM 938 CA LEU A 65 -8.903 -7.074 5.053 1.00 0.00 C ATOM 939 C LEU A 65 -10.252 -6.930 5.763 1.00 0.00 C ATOM 940 O LEU A 65 -10.856 -5.863 5.712 1.00 0.00 O ATOM 941 CB LEU A 65 -9.036 -6.592 3.594 1.00 0.00 C ATOM 942 CG LEU A 65 -7.718 -6.329 2.839 1.00 0.00 C ATOM 943 CD1 LEU A 65 -7.209 -7.551 2.066 1.00 0.00 C ATOM 944 CD2 LEU A 65 -7.941 -5.168 1.863 1.00 0.00 C ATOM 0 H LEU A 65 -9.027 -9.143 4.807 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.177 -6.444 5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.606 -7.337 3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.622 -5.673 3.589 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.956 -6.089 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.279 -7.298 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.032 -8.373 2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.954 -7.852 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.018 -4.967 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.728 -5.432 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.236 -4.278 2.418 1.00 0.00 H new ATOM 956 N SER A 66 -10.733 -7.957 6.455 1.00 0.00 N ATOM 957 CA SER A 66 -12.024 -7.944 7.140 1.00 0.00 C ATOM 958 C SER A 66 -11.892 -8.006 8.664 1.00 0.00 C ATOM 959 O SER A 66 -12.896 -7.863 9.351 1.00 0.00 O ATOM 960 CB SER A 66 -12.841 -9.128 6.636 1.00 0.00 C ATOM 961 OG SER A 66 -12.908 -9.144 5.219 1.00 0.00 O ATOM 0 H SER A 66 -10.229 -8.838 6.558 1.00 0.00 H new ATOM 0 HA SER A 66 -12.520 -6.999 6.916 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.396 -10.057 6.991 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.849 -9.079 7.049 1.00 0.00 H new ATOM 0 HG SER A 66 -12.044 -9.428 4.854 1.00 0.00 H new ATOM 967 N LEU A 67 -10.671 -8.165 9.184 1.00 0.00 N ATOM 968 CA LEU A 67 -10.321 -8.090 10.606 1.00 0.00 C ATOM 969 C LEU A 67 -9.118 -7.171 10.870 1.00 0.00 C ATOM 970 O LEU A 67 -8.640 -7.089 12.000 1.00 0.00 O ATOM 971 CB LEU A 67 -10.060 -9.507 11.153 1.00 0.00 C ATOM 972 CG LEU A 67 -8.884 -10.229 10.456 1.00 0.00 C ATOM 973 CD1 LEU A 67 -7.619 -10.304 11.319 1.00 0.00 C ATOM 974 CD2 LEU A 67 -9.312 -11.637 10.033 1.00 0.00 C ATOM 0 H LEU A 67 -9.860 -8.359 8.596 1.00 0.00 H new ATOM 0 HA LEU A 67 -11.167 -7.648 11.132 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.855 -9.444 12.222 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.964 -10.105 11.037 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.628 -9.633 9.580 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.834 -10.823 10.769 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.285 -9.296 11.564 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.838 -10.847 12.239 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.478 -12.139 9.543 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.611 -12.206 10.913 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.152 -11.570 9.342 1.00 0.00 H new ATOM 986 N LYS A 68 -8.559 -6.558 9.825 1.00 0.00 N ATOM 987 CA LYS A 68 -7.352 -5.732 9.860 1.00 0.00 C ATOM 988 C LYS A 68 -7.648 -4.255 10.045 1.00 0.00 C ATOM 989 O LYS A 68 -6.730 -3.487 10.323 1.00 0.00 O ATOM 990 CB LYS A 68 -6.518 -6.009 8.605 1.00 0.00 C ATOM 991 CG LYS A 68 -5.167 -6.661 8.933 1.00 0.00 C ATOM 992 CD LYS A 68 -5.231 -7.990 9.703 1.00 0.00 C ATOM 993 CE LYS A 68 -3.779 -8.440 9.917 1.00 0.00 C ATOM 994 NZ LYS A 68 -3.611 -9.491 10.938 1.00 0.00 N ATOM 0 H LYS A 68 -8.955 -6.628 8.887 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.772 -6.010 10.740 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.080 -6.660 7.935 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.347 -5.074 8.072 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.631 -6.830 7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.576 -5.954 9.516 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.742 -7.861 10.657 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.790 -8.738 9.140 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.381 -8.804 8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.181 -7.574 10.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.604 -9.737 11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.959 -9.143 11.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.152 -10.335 10.660 1.00 0.00 H new ATOM 1008 N PHE A 69 -8.908 -3.870 9.915 1.00 0.00 N ATOM 1009 CA PHE A 69 -9.356 -2.496 9.930 1.00 0.00 C ATOM 1010 C PHE A 69 -10.593 -2.423 10.812 1.00 0.00 C ATOM 1011 O PHE A 69 -11.216 -3.446 11.101 1.00 0.00 O ATOM 1012 CB PHE A 69 -9.641 -2.090 8.486 1.00 0.00 C ATOM 1013 CG PHE A 69 -8.497 -2.401 7.548 1.00 0.00 C ATOM 1014 CD1 PHE A 69 -7.333 -1.613 7.555 1.00 0.00 C ATOM 1015 CD2 PHE A 69 -8.617 -3.458 6.639 1.00 0.00 C ATOM 1016 CE1 PHE A 69 -6.403 -1.750 6.506 1.00 0.00 C ATOM 1017 CE2 PHE A 69 -7.650 -3.641 5.649 1.00 0.00 C ATOM 1018 CZ PHE A 69 -6.597 -2.733 5.524 1.00 0.00 C ATOM 0 H PHE A 69 -9.671 -4.535 9.792 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.612 -1.810 10.335 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.537 -2.605 8.140 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.853 -1.021 8.450 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -7.154 -0.911 8.356 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.458 -4.132 6.703 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.542 -1.100 6.458 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.717 -4.486 4.979 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.933 -2.787 4.674 1.00 0.00 H new ATOM 1028 N LYS A 70 -10.971 -1.221 11.230 1.00 0.00 N ATOM 1029 CA LYS A 70 -11.988 -1.034 12.249 1.00 0.00 C ATOM 1030 C LYS A 70 -13.280 -0.517 11.654 1.00 0.00 C ATOM 1031 O LYS A 70 -14.354 -0.915 12.094 1.00 0.00 O ATOM 1032 CB LYS A 70 -11.379 -0.078 13.276 1.00 0.00 C ATOM 1033 CG LYS A 70 -12.353 0.502 14.301 1.00 0.00 C ATOM 1034 CD LYS A 70 -12.640 1.974 13.971 1.00 0.00 C ATOM 1035 CE LYS A 70 -13.900 2.429 14.693 1.00 0.00 C ATOM 1036 NZ LYS A 70 -14.168 3.878 14.585 1.00 0.00 N ATOM 0 H LYS A 70 -10.579 -0.351 10.870 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.263 -1.975 12.725 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.588 -0.604 13.811 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.908 0.747 12.742 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.282 -0.069 14.297 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.932 0.420 15.303 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.795 2.594 14.269 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.762 2.098 12.895 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.753 1.882 14.292 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.818 2.163 15.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.041 4.109 15.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.373 4.409 14.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.279 4.137 13.584 1.00 0.00 H new ATOM 1050 N ASP A 71 -13.178 0.363 10.664 1.00 0.00 N ATOM 1051 CA ASP A 71 -14.333 0.999 10.063 1.00 0.00 C ATOM 1052 C ASP A 71 -14.158 1.039 8.553 1.00 0.00 C ATOM 1053 O ASP A 71 -13.873 2.099 8.000 1.00 0.00 O ATOM 1054 CB ASP A 71 -14.517 2.377 10.696 1.00 0.00 C ATOM 1055 CG ASP A 71 -15.677 3.175 10.119 1.00 0.00 C ATOM 1056 OD1 ASP A 71 -16.546 2.624 9.406 1.00 0.00 O ATOM 1057 OD2 ASP A 71 -15.771 4.362 10.501 1.00 0.00 O ATOM 0 H ASP A 71 -12.288 0.653 10.258 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.246 0.434 10.252 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.671 2.255 11.768 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.598 2.949 10.569 1.00 0.00 H new ATOM 1062 N PRO A 72 -14.188 -0.114 7.863 1.00 0.00 N ATOM 1063 CA PRO A 72 -13.815 -0.176 6.452 1.00 0.00 C ATOM 1064 C PRO A 72 -14.768 0.665 5.594 1.00 0.00 C ATOM 1065 O PRO A 72 -14.335 1.310 4.640 1.00 0.00 O ATOM 1066 CB PRO A 72 -13.825 -1.665 6.097 1.00 0.00 C ATOM 1067 CG PRO A 72 -14.774 -2.282 7.111 1.00 0.00 C ATOM 1068 CD PRO A 72 -14.523 -1.441 8.369 1.00 0.00 C ATOM 0 HA PRO A 72 -12.831 0.250 6.258 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.171 -1.829 5.076 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.828 -2.099 6.169 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.812 -2.220 6.784 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.556 -3.337 7.280 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.405 -1.411 9.008 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.711 -1.854 8.967 1.00 0.00 H new ATOM 1076 N GLU A 73 -16.041 0.717 5.990 1.00 0.00 N ATOM 1077 CA GLU A 73 -17.159 1.408 5.346 1.00 0.00 C ATOM 1078 C GLU A 73 -16.976 2.915 5.317 1.00 0.00 C ATOM 1079 O GLU A 73 -17.748 3.605 4.651 1.00 0.00 O ATOM 1080 CB GLU A 73 -18.495 1.128 6.072 1.00 0.00 C ATOM 1081 CG GLU A 73 -18.460 -0.106 6.965 1.00 0.00 C ATOM 1082 CD GLU A 73 -19.833 -0.534 7.471 1.00 0.00 C ATOM 1083 OE1 GLU A 73 -20.723 -0.845 6.649 1.00 0.00 O ATOM 1084 OE2 GLU A 73 -20.001 -0.661 8.710 1.00 0.00 O ATOM 0 H GLU A 73 -16.341 0.238 6.839 1.00 0.00 H new ATOM 0 HA GLU A 73 -17.182 1.020 4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -18.759 1.996 6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -19.283 1.006 5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -18.013 -0.932 6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.813 0.093 7.819 1.00 0.00 H new ATOM 1091 N ASN A 74 -15.984 3.445 6.035 1.00 0.00 N ATOM 1092 CA ASN A 74 -15.689 4.868 6.061 1.00 0.00 C ATOM 1093 C ASN A 74 -14.179 5.138 6.010 1.00 0.00 C ATOM 1094 O ASN A 74 -13.767 6.295 5.932 1.00 0.00 O ATOM 1095 CB ASN A 74 -16.359 5.512 7.281 1.00 0.00 C ATOM 1096 CG ASN A 74 -17.871 5.333 7.269 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -18.571 5.983 6.492 1.00 0.00 O ATOM 1098 ND2 ASN A 74 -18.390 4.411 8.063 1.00 0.00 N ATOM 0 H ASN A 74 -15.360 2.888 6.619 1.00 0.00 H new ATOM 0 HA ASN A 74 -16.103 5.329 5.165 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.950 5.073 8.191 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -16.121 6.575 7.305 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -19.393 4.224 8.041 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -17.788 3.887 8.697 1.00 0.00 H new ATOM 1105 N THR A 75 -13.351 4.092 6.029 1.00 0.00 N ATOM 1106 CA THR A 75 -11.910 4.151 5.858 1.00 0.00 C ATOM 1107 C THR A 75 -11.581 4.398 4.391 1.00 0.00 C ATOM 1108 O THR A 75 -12.289 3.927 3.496 1.00 0.00 O ATOM 1109 CB THR A 75 -11.316 2.827 6.377 1.00 0.00 C ATOM 1110 OG1 THR A 75 -11.390 2.860 7.784 1.00 0.00 O ATOM 1111 CG2 THR A 75 -9.873 2.482 5.981 1.00 0.00 C ATOM 0 H THR A 75 -13.689 3.140 6.171 1.00 0.00 H new ATOM 0 HA THR A 75 -11.474 4.974 6.425 1.00 0.00 H new ATOM 0 HB THR A 75 -11.910 2.048 5.899 1.00 0.00 H new ATOM 0 HG1 THR A 75 -12.328 2.816 8.063 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.595 1.524 6.419 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.799 2.420 4.895 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.200 3.257 6.347 1.00 0.00 H new ATOM 1119 N THR A 76 -10.462 5.077 4.149 1.00 0.00 N ATOM 1120 CA THR A 76 -9.940 5.342 2.819 1.00 0.00 C ATOM 1121 C THR A 76 -8.607 4.603 2.704 1.00 0.00 C ATOM 1122 O THR A 76 -7.583 5.044 3.234 1.00 0.00 O ATOM 1123 CB THR A 76 -9.864 6.857 2.574 1.00 0.00 C ATOM 1124 OG1 THR A 76 -11.062 7.480 2.998 1.00 0.00 O ATOM 1125 CG2 THR A 76 -9.646 7.177 1.098 1.00 0.00 C ATOM 0 H THR A 76 -9.882 5.466 4.893 1.00 0.00 H new ATOM 0 HA THR A 76 -10.593 4.970 2.029 1.00 0.00 H new ATOM 0 HB THR A 76 -9.017 7.235 3.146 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.003 8.445 2.839 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.597 8.258 0.963 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.712 6.727 0.762 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.473 6.775 0.513 1.00 0.00 H new ATOM 1133 N LEU A 77 -8.630 3.415 2.099 1.00 0.00 N ATOM 1134 CA LEU A 77 -7.429 2.640 1.834 1.00 0.00 C ATOM 1135 C LEU A 77 -6.628 3.303 0.708 1.00 0.00 C ATOM 1136 O LEU A 77 -7.193 3.979 -0.156 1.00 0.00 O ATOM 1137 CB LEU A 77 -7.796 1.172 1.493 1.00 0.00 C ATOM 1138 CG LEU A 77 -7.245 0.139 2.492 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -7.607 -1.280 2.035 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -5.726 0.242 2.636 1.00 0.00 C ATOM 0 H LEU A 77 -9.488 2.966 1.780 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.804 2.618 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.881 1.080 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.419 0.936 0.498 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.698 0.351 3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.213 -2.004 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.691 -1.379 1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.175 -1.467 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.377 -0.504 3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.256 0.066 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.461 1.237 2.993 1.00 0.00 H new ATOM 1152 N TYR A 78 -5.318 3.043 0.690 1.00 0.00 N ATOM 1153 CA TYR A 78 -4.387 3.421 -0.363 1.00 0.00 C ATOM 1154 C TYR A 78 -3.458 2.225 -0.579 1.00 0.00 C ATOM 1155 O TYR A 78 -2.572 1.967 0.241 1.00 0.00 O ATOM 1156 CB TYR A 78 -3.605 4.691 0.023 1.00 0.00 C ATOM 1157 CG TYR A 78 -4.431 5.964 0.071 1.00 0.00 C ATOM 1158 CD1 TYR A 78 -5.281 6.219 1.163 1.00 0.00 C ATOM 1159 CD2 TYR A 78 -4.373 6.888 -0.988 1.00 0.00 C ATOM 1160 CE1 TYR A 78 -6.107 7.353 1.173 1.00 0.00 C ATOM 1161 CE2 TYR A 78 -5.200 8.025 -0.988 1.00 0.00 C ATOM 1162 CZ TYR A 78 -6.096 8.243 0.079 1.00 0.00 C ATOM 1163 OH TYR A 78 -6.972 9.281 0.023 1.00 0.00 O ATOM 0 H TYR A 78 -4.861 2.538 1.449 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.914 3.662 -1.286 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.148 4.535 1.000 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.792 4.830 -0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.298 5.537 2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.688 6.723 -1.807 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.751 7.544 2.018 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.149 8.731 -1.804 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.551 9.178 -0.761 1.00 0.00 H new ATOM 1173 N ILE A 79 -3.663 1.440 -1.637 1.00 0.00 N ATOM 1174 CA ILE A 79 -2.835 0.262 -1.908 1.00 0.00 C ATOM 1175 C ILE A 79 -1.455 0.693 -2.403 1.00 0.00 C ATOM 1176 O ILE A 79 -1.343 1.753 -3.014 1.00 0.00 O ATOM 1177 CB ILE A 79 -3.583 -0.628 -2.907 1.00 0.00 C ATOM 1178 CG1 ILE A 79 -4.812 -1.200 -2.157 1.00 0.00 C ATOM 1179 CG2 ILE A 79 -2.762 -1.790 -3.466 1.00 0.00 C ATOM 1180 CD1 ILE A 79 -6.052 -1.026 -3.001 1.00 0.00 C ATOM 0 H ILE A 79 -4.399 1.599 -2.325 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.663 -0.318 -1.001 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.842 -0.014 -3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.656 -2.256 -1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.936 -0.690 -1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.372 -2.364 -4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.887 -1.400 -3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.441 -2.435 -2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.914 -1.430 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.212 0.034 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.927 -1.556 -3.945 1.00 0.00 H new ATOM 1192 N LEU A 80 -0.416 -0.115 -2.159 1.00 0.00 N ATOM 1193 CA LEU A 80 0.974 0.166 -2.518 1.00 0.00 C ATOM 1194 C LEU A 80 1.610 -1.120 -3.062 1.00 0.00 C ATOM 1195 O LEU A 80 1.837 -2.060 -2.296 1.00 0.00 O ATOM 1196 CB LEU A 80 1.713 0.711 -1.274 1.00 0.00 C ATOM 1197 CG LEU A 80 2.941 1.603 -1.547 1.00 0.00 C ATOM 1198 CD1 LEU A 80 3.693 1.851 -0.234 1.00 0.00 C ATOM 1199 CD2 LEU A 80 3.930 1.038 -2.553 1.00 0.00 C ATOM 0 H LEU A 80 -0.527 -1.014 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 80 1.039 0.925 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.002 1.281 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.033 -0.136 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 80 2.540 2.520 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.561 2.481 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.032 2.349 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.021 0.899 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.759 1.735 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.311 0.083 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.431 0.891 -3.511 1.00 0.00 H new ATOM 1211 N ASP A 81 1.871 -1.187 -4.369 1.00 0.00 N ATOM 1212 CA ASP A 81 2.625 -2.257 -5.041 1.00 0.00 C ATOM 1213 C ASP A 81 4.103 -1.847 -5.247 1.00 0.00 C ATOM 1214 O ASP A 81 4.528 -0.773 -4.839 1.00 0.00 O ATOM 1215 CB ASP A 81 1.942 -2.688 -6.357 1.00 0.00 C ATOM 1216 CG ASP A 81 2.723 -2.252 -7.592 1.00 0.00 C ATOM 1217 OD1 ASP A 81 2.694 -1.040 -7.897 1.00 0.00 O ATOM 1218 OD2 ASP A 81 3.462 -3.115 -8.130 1.00 0.00 O ATOM 0 H ASP A 81 1.551 -0.469 -5.019 1.00 0.00 H new ATOM 0 HA ASP A 81 2.625 -3.133 -4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.830 -3.772 -6.366 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.939 -2.264 -6.397 1.00 0.00 H new ATOM 1223 N LYS A 82 4.939 -2.729 -5.800 1.00 0.00 N ATOM 1224 CA LYS A 82 6.340 -2.448 -6.092 1.00 0.00 C ATOM 1225 C LYS A 82 6.518 -1.406 -7.189 1.00 0.00 C ATOM 1226 O LYS A 82 7.339 -0.522 -6.989 1.00 0.00 O ATOM 1227 CB LYS A 82 7.088 -3.723 -6.482 1.00 0.00 C ATOM 1228 CG LYS A 82 6.924 -4.902 -5.511 1.00 0.00 C ATOM 1229 CD LYS A 82 8.104 -5.883 -5.561 1.00 0.00 C ATOM 1230 CE LYS A 82 8.497 -6.311 -6.979 1.00 0.00 C ATOM 1231 NZ LYS A 82 7.389 -6.946 -7.721 1.00 0.00 N ATOM 0 H LYS A 82 4.653 -3.673 -6.060 1.00 0.00 H new ATOM 0 HA LYS A 82 6.761 -2.041 -5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.748 -4.036 -7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 82 8.149 -3.490 -6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.819 -4.519 -4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.003 -5.436 -5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.967 -5.423 -5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.850 -6.771 -4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.844 -5.438 -7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.334 -7.006 -6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.716 -7.213 -8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.073 -7.796 -7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.597 -6.277 -7.803 1.00 0.00 H new ATOM 1245 N PHE A 83 5.870 -1.520 -8.347 1.00 0.00 N ATOM 1246 CA PHE A 83 6.068 -0.594 -9.458 1.00 0.00 C ATOM 1247 C PHE A 83 4.791 -0.426 -10.281 1.00 0.00 C ATOM 1248 O PHE A 83 4.449 0.695 -10.664 1.00 0.00 O ATOM 1249 CB PHE A 83 7.231 -1.097 -10.329 1.00 0.00 C ATOM 1250 CG PHE A 83 7.709 -0.126 -11.391 1.00 0.00 C ATOM 1251 CD1 PHE A 83 6.922 0.116 -12.530 1.00 0.00 C ATOM 1252 CD2 PHE A 83 8.950 0.522 -11.254 1.00 0.00 C ATOM 1253 CE1 PHE A 83 7.331 1.060 -13.487 1.00 0.00 C ATOM 1254 CE2 PHE A 83 9.381 1.435 -12.235 1.00 0.00 C ATOM 1255 CZ PHE A 83 8.552 1.739 -13.329 1.00 0.00 C ATOM 0 H PHE A 83 5.193 -2.258 -8.540 1.00 0.00 H new ATOM 0 HA PHE A 83 6.316 0.390 -9.061 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.071 -1.342 -9.679 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.925 -2.022 -10.817 1.00 0.00 H new ATOM 0 HD1 PHE A 83 5.999 -0.426 -12.670 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.573 0.319 -10.395 1.00 0.00 H new ATOM 0 HE1 PHE A 83 6.707 1.264 -14.345 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.350 1.903 -12.147 1.00 0.00 H new ATOM 0 HZ PHE A 83 8.852 2.490 -14.045 1.00 0.00 H new ATOM 1265 N ASP A 84 4.109 -1.519 -10.620 1.00 0.00 N ATOM 1266 CA ASP A 84 2.851 -1.492 -11.368 1.00 0.00 C ATOM 1267 C ASP A 84 1.891 -2.503 -10.767 1.00 0.00 C ATOM 1268 O ASP A 84 0.860 -2.115 -10.216 1.00 0.00 O ATOM 1269 CB ASP A 84 3.072 -1.723 -12.872 1.00 0.00 C ATOM 1270 CG ASP A 84 3.071 -0.409 -13.652 1.00 0.00 C ATOM 1271 OD1 ASP A 84 2.178 0.447 -13.452 1.00 0.00 O ATOM 1272 OD2 ASP A 84 3.969 -0.213 -14.503 1.00 0.00 O ATOM 0 H ASP A 84 4.418 -2.461 -10.380 1.00 0.00 H new ATOM 0 HA ASP A 84 2.410 -0.499 -11.283 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.021 -2.237 -13.026 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.290 -2.376 -13.259 1.00 0.00 H new ATOM 1277 N GLY A 85 2.259 -3.788 -10.817 1.00 0.00 N ATOM 1278 CA GLY A 85 1.529 -4.855 -10.153 1.00 0.00 C ATOM 1279 C GLY A 85 0.045 -4.766 -10.479 1.00 0.00 C ATOM 1280 O GLY A 85 -0.322 -4.794 -11.655 1.00 0.00 O ATOM 0 H GLY A 85 3.081 -4.112 -11.327 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.920 -5.822 -10.469 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.676 -4.788 -9.075 1.00 0.00 H new ATOM 1284 N ASN A 86 -0.799 -4.694 -9.452 1.00 0.00 N ATOM 1285 CA ASN A 86 -2.259 -4.702 -9.519 1.00 0.00 C ATOM 1286 C ASN A 86 -2.813 -3.782 -8.419 1.00 0.00 C ATOM 1287 O ASN A 86 -3.807 -4.112 -7.777 1.00 0.00 O ATOM 1288 CB ASN A 86 -2.759 -6.157 -9.365 1.00 0.00 C ATOM 1289 CG ASN A 86 -2.699 -7.036 -10.607 1.00 0.00 C ATOM 1290 OD1 ASN A 86 -2.961 -8.231 -10.527 1.00 0.00 O ATOM 1291 ND2 ASN A 86 -2.438 -6.526 -11.796 1.00 0.00 N ATOM 0 H ASN A 86 -0.461 -4.624 -8.492 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.611 -4.326 -10.480 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.174 -6.637 -8.580 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.792 -6.127 -9.019 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.457 -7.123 -12.623 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.217 -5.534 -11.888 1.00 0.00 H new ATOM 1298 N SER A 87 -2.166 -2.652 -8.126 1.00 0.00 N ATOM 1299 CA SER A 87 -2.656 -1.720 -7.112 1.00 0.00 C ATOM 1300 C SER A 87 -4.041 -1.190 -7.491 1.00 0.00 C ATOM 1301 O SER A 87 -4.982 -1.289 -6.705 1.00 0.00 O ATOM 1302 CB SER A 87 -1.625 -0.609 -6.908 1.00 0.00 C ATOM 1303 OG SER A 87 -1.134 -0.157 -8.154 1.00 0.00 O ATOM 0 H SER A 87 -1.299 -2.361 -8.579 1.00 0.00 H new ATOM 0 HA SER A 87 -2.779 -2.234 -6.159 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.078 0.221 -6.366 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.801 -0.977 -6.297 1.00 0.00 H new ATOM 0 HG SER A 87 -0.477 0.555 -8.008 1.00 0.00 H new ATOM 1309 N GLU A 88 -4.178 -0.726 -8.732 1.00 0.00 N ATOM 1310 CA GLU A 88 -5.401 -0.161 -9.298 1.00 0.00 C ATOM 1311 C GLU A 88 -6.553 -1.172 -9.266 1.00 0.00 C ATOM 1312 O GLU A 88 -7.711 -0.806 -9.054 1.00 0.00 O ATOM 1313 CB GLU A 88 -5.136 0.275 -10.747 1.00 0.00 C ATOM 1314 CG GLU A 88 -3.839 1.077 -10.936 1.00 0.00 C ATOM 1315 CD GLU A 88 -3.784 1.740 -12.315 1.00 0.00 C ATOM 1316 OE1 GLU A 88 -4.015 1.052 -13.337 1.00 0.00 O ATOM 1317 OE2 GLU A 88 -3.539 2.963 -12.392 1.00 0.00 O ATOM 0 H GLU A 88 -3.406 -0.734 -9.399 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.692 0.699 -8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.097 -0.611 -11.380 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.976 0.877 -11.093 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.766 1.840 -10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.981 0.416 -10.814 1.00 0.00 H new ATOM 1324 N LEU A 89 -6.226 -2.453 -9.452 1.00 0.00 N ATOM 1325 CA LEU A 89 -7.153 -3.578 -9.440 1.00 0.00 C ATOM 1326 C LEU A 89 -7.807 -3.688 -8.072 1.00 0.00 C ATOM 1327 O LEU A 89 -9.023 -3.844 -7.956 1.00 0.00 O ATOM 1328 CB LEU A 89 -6.354 -4.848 -9.773 1.00 0.00 C ATOM 1329 CG LEU A 89 -7.177 -6.116 -10.013 1.00 0.00 C ATOM 1330 CD1 LEU A 89 -6.323 -7.130 -10.767 1.00 0.00 C ATOM 1331 CD2 LEU A 89 -7.781 -6.750 -8.756 1.00 0.00 C ATOM 0 H LEU A 89 -5.263 -2.743 -9.622 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.945 -3.439 -10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.755 -4.654 -10.663 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.658 -5.040 -8.956 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.039 -5.809 -10.605 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.903 -8.036 -10.941 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.015 -6.707 -11.723 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.440 -7.373 -10.176 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.344 -7.641 -9.033 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.982 -7.025 -8.067 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.447 -6.035 -8.272 1.00 0.00 H new ATOM 1343 N VAL A 90 -6.985 -3.645 -7.029 1.00 0.00 N ATOM 1344 CA VAL A 90 -7.434 -3.813 -5.663 1.00 0.00 C ATOM 1345 C VAL A 90 -8.114 -2.531 -5.184 1.00 0.00 C ATOM 1346 O VAL A 90 -9.045 -2.620 -4.377 1.00 0.00 O ATOM 1347 CB VAL A 90 -6.230 -4.254 -4.804 1.00 0.00 C ATOM 1348 CG1 VAL A 90 -6.558 -4.495 -3.320 1.00 0.00 C ATOM 1349 CG2 VAL A 90 -5.645 -5.574 -5.317 1.00 0.00 C ATOM 0 H VAL A 90 -5.980 -3.491 -7.115 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.188 -4.595 -5.577 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.533 -3.420 -4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.655 -4.801 -2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.942 -3.575 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.310 -5.279 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.798 -5.863 -4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.408 -6.351 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.312 -5.448 -6.347 1.00 0.00 H new ATOM 1359 N ALA A 91 -7.711 -1.360 -5.700 1.00 0.00 N ATOM 1360 CA ALA A 91 -8.346 -0.094 -5.378 1.00 0.00 C ATOM 1361 C ALA A 91 -9.833 -0.170 -5.752 1.00 0.00 C ATOM 1362 O ALA A 91 -10.688 0.280 -4.995 1.00 0.00 O ATOM 1363 CB ALA A 91 -7.626 1.043 -6.103 1.00 0.00 C ATOM 0 H ALA A 91 -6.932 -1.275 -6.353 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.277 0.108 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.105 1.991 -5.859 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.583 1.072 -5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.676 0.878 -7.179 1.00 0.00 H new ATOM 1369 N GLU A 92 -10.154 -0.796 -6.888 1.00 0.00 N ATOM 1370 CA GLU A 92 -11.528 -0.928 -7.373 1.00 0.00 C ATOM 1371 C GLU A 92 -12.166 -2.250 -6.930 1.00 0.00 C ATOM 1372 O GLU A 92 -13.247 -2.603 -7.392 1.00 0.00 O ATOM 1373 CB GLU A 92 -11.583 -0.688 -8.893 1.00 0.00 C ATOM 1374 CG GLU A 92 -10.946 -1.802 -9.746 1.00 0.00 C ATOM 1375 CD GLU A 92 -10.687 -1.389 -11.198 1.00 0.00 C ATOM 1376 OE1 GLU A 92 -11.177 -0.318 -11.636 1.00 0.00 O ATOM 1377 OE2 GLU A 92 -9.897 -2.072 -11.889 1.00 0.00 O ATOM 0 H GLU A 92 -9.462 -1.228 -7.500 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.141 -0.153 -6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.625 -0.572 -9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.081 0.253 -9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.004 -2.104 -9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.599 -2.674 -9.736 1.00 0.00 H new ATOM 1384 N LEU A 93 -11.533 -2.981 -6.008 1.00 0.00 N ATOM 1385 CA LEU A 93 -12.076 -4.205 -5.436 1.00 0.00 C ATOM 1386 C LEU A 93 -12.619 -3.922 -4.043 1.00 0.00 C ATOM 1387 O LEU A 93 -13.775 -4.240 -3.767 1.00 0.00 O ATOM 1388 CB LEU A 93 -10.975 -5.279 -5.405 1.00 0.00 C ATOM 1389 CG LEU A 93 -11.421 -6.662 -4.897 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -12.424 -7.316 -5.852 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -10.178 -7.550 -4.757 1.00 0.00 C ATOM 0 H LEU A 93 -10.617 -2.731 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 93 -12.900 -4.575 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.572 -5.392 -6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.161 -4.923 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.918 -6.542 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.716 -8.291 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.306 -6.682 -5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -11.964 -7.441 -6.832 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.474 -8.536 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.690 -7.649 -5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.486 -7.098 -4.047 1.00 0.00 H new ATOM 1403 N VAL A 94 -11.811 -3.343 -3.148 1.00 0.00 N ATOM 1404 CA VAL A 94 -12.213 -3.166 -1.750 1.00 0.00 C ATOM 1405 C VAL A 94 -13.477 -2.306 -1.644 1.00 0.00 C ATOM 1406 O VAL A 94 -14.408 -2.669 -0.921 1.00 0.00 O ATOM 1407 CB VAL A 94 -11.059 -2.609 -0.894 1.00 0.00 C ATOM 1408 CG1 VAL A 94 -9.924 -3.641 -0.805 1.00 0.00 C ATOM 1409 CG2 VAL A 94 -10.474 -1.278 -1.382 1.00 0.00 C ATOM 0 H VAL A 94 -10.879 -2.991 -3.366 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.456 -4.149 -1.346 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.503 -2.411 0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.113 -3.238 -0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.300 -4.556 -0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.553 -3.861 -1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.669 -0.968 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.082 -1.401 -2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.255 -0.517 -1.386 1.00 0.00 H new ATOM 1419 N ALA A 95 -13.535 -1.207 -2.406 1.00 0.00 N ATOM 1420 CA ALA A 95 -14.650 -0.265 -2.400 1.00 0.00 C ATOM 1421 C ALA A 95 -15.946 -0.877 -2.958 1.00 0.00 C ATOM 1422 O ALA A 95 -17.014 -0.276 -2.883 1.00 0.00 O ATOM 1423 CB ALA A 95 -14.253 0.970 -3.218 1.00 0.00 C ATOM 0 H ALA A 95 -12.792 -0.947 -3.055 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.857 0.008 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.077 1.684 -3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.373 1.434 -2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.026 0.671 -4.241 1.00 0.00 H new ATOM 1429 N LEU A 96 -15.863 -2.069 -3.551 1.00 0.00 N ATOM 1430 CA LEU A 96 -16.968 -2.827 -4.106 1.00 0.00 C ATOM 1431 C LEU A 96 -17.315 -4.022 -3.206 1.00 0.00 C ATOM 1432 O LEU A 96 -18.175 -4.824 -3.570 1.00 0.00 O ATOM 1433 CB LEU A 96 -16.575 -3.273 -5.527 1.00 0.00 C ATOM 1434 CG LEU A 96 -16.774 -2.178 -6.587 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -15.900 -0.922 -6.437 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -16.611 -2.759 -7.995 1.00 0.00 C ATOM 0 H LEU A 96 -14.971 -2.551 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.865 -2.209 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.530 -3.582 -5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.166 -4.147 -5.802 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.793 -1.830 -6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.128 -0.222 -7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.103 -0.450 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.848 -1.203 -6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.755 -1.970 -8.733 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.610 -3.178 -8.102 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.351 -3.543 -8.153 1.00 0.00 H new ATOM 1448 N ASN A 97 -16.630 -4.182 -2.067 1.00 0.00 N ATOM 1449 CA ASN A 97 -16.676 -5.365 -1.206 1.00 0.00 C ATOM 1450 C ASN A 97 -16.848 -4.987 0.271 1.00 0.00 C ATOM 1451 O ASN A 97 -16.619 -5.828 1.144 1.00 0.00 O ATOM 1452 CB ASN A 97 -15.415 -6.227 -1.435 1.00 0.00 C ATOM 1453 CG ASN A 97 -15.585 -7.128 -2.646 1.00 0.00 C ATOM 1454 OD1 ASN A 97 -16.036 -8.264 -2.522 1.00 0.00 O ATOM 1455 ND2 ASN A 97 -15.234 -6.658 -3.827 1.00 0.00 N ATOM 0 H ASN A 97 -16.004 -3.461 -1.708 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.552 -5.956 -1.475 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.549 -5.581 -1.577 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.219 -6.833 -0.551 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -15.335 -7.240 -4.658 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.862 -5.712 -3.909 1.00 0.00 H new ATOM 1462 N GLY A 98 -17.220 -3.743 0.587 1.00 0.00 N ATOM 1463 CA GLY A 98 -17.533 -3.312 1.950 1.00 0.00 C ATOM 1464 C GLY A 98 -16.845 -2.015 2.359 1.00 0.00 C ATOM 1465 O GLY A 98 -17.246 -1.419 3.361 1.00 0.00 O ATOM 0 H GLY A 98 -17.313 -3.000 -0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.612 -3.185 2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.245 -4.100 2.645 1.00 0.00 H new ATOM 1469 N PHE A 99 -15.812 -1.576 1.635 1.00 0.00 N ATOM 1470 CA PHE A 99 -15.106 -0.342 1.964 1.00 0.00 C ATOM 1471 C PHE A 99 -15.771 0.862 1.293 1.00 0.00 C ATOM 1472 O PHE A 99 -16.600 0.697 0.405 1.00 0.00 O ATOM 1473 CB PHE A 99 -13.629 -0.436 1.561 1.00 0.00 C ATOM 1474 CG PHE A 99 -12.790 -1.339 2.442 1.00 0.00 C ATOM 1475 CD1 PHE A 99 -12.963 -2.740 2.446 1.00 0.00 C ATOM 1476 CD2 PHE A 99 -11.860 -0.754 3.319 1.00 0.00 C ATOM 1477 CE1 PHE A 99 -12.226 -3.544 3.336 1.00 0.00 C ATOM 1478 CE2 PHE A 99 -11.138 -1.558 4.204 1.00 0.00 C ATOM 1479 CZ PHE A 99 -11.314 -2.946 4.220 1.00 0.00 C ATOM 0 H PHE A 99 -15.448 -2.061 0.815 1.00 0.00 H new ATOM 0 HA PHE A 99 -15.158 -0.202 3.044 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -13.569 -0.795 0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -13.198 0.565 1.575 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -13.664 -3.197 1.763 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -11.704 0.315 3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -12.362 -4.615 3.339 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.435 -1.102 4.885 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.750 -3.556 4.910 1.00 0.00 H new ATOM 1489 N LYS A 100 -15.364 2.070 1.698 1.00 0.00 N ATOM 1490 CA LYS A 100 -15.856 3.336 1.154 1.00 0.00 C ATOM 1491 C LYS A 100 -15.315 3.595 -0.253 1.00 0.00 C ATOM 1492 O LYS A 100 -16.024 3.430 -1.239 1.00 0.00 O ATOM 1493 CB LYS A 100 -15.481 4.478 2.120 1.00 0.00 C ATOM 1494 CG LYS A 100 -15.922 5.879 1.662 1.00 0.00 C ATOM 1495 CD LYS A 100 -17.410 6.010 1.314 1.00 0.00 C ATOM 1496 CE LYS A 100 -18.312 5.445 2.411 1.00 0.00 C ATOM 1497 NZ LYS A 100 -18.307 6.264 3.641 1.00 0.00 N ATOM 0 H LYS A 100 -14.666 2.195 2.431 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.941 3.284 1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -15.926 4.272 3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.400 4.479 2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -15.685 6.594 2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -15.334 6.161 0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -17.652 7.060 1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -17.610 5.489 0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.332 5.372 2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -17.989 4.433 2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -18.322 5.641 4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -17.449 6.851 3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -19.146 6.878 3.653 1.00 0.00 H new ATOM 1511 N SER A 101 -14.076 4.070 -0.319 1.00 0.00 N ATOM 1512 CA SER A 101 -13.373 4.523 -1.501 1.00 0.00 C ATOM 1513 C SER A 101 -11.919 4.161 -1.283 1.00 0.00 C ATOM 1514 O SER A 101 -11.467 4.061 -0.139 1.00 0.00 O ATOM 1515 CB SER A 101 -13.500 6.044 -1.655 1.00 0.00 C ATOM 1516 OG SER A 101 -14.856 6.391 -1.874 1.00 0.00 O ATOM 0 H SER A 101 -13.499 4.152 0.518 1.00 0.00 H new ATOM 0 HA SER A 101 -13.783 4.063 -2.400 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.127 6.542 -0.760 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.888 6.387 -2.489 1.00 0.00 H new ATOM 0 HG SER A 101 -14.933 7.363 -1.970 1.00 0.00 H new ATOM 1522 N ALA A 102 -11.188 3.939 -2.361 1.00 0.00 N ATOM 1523 CA ALA A 102 -9.841 3.416 -2.299 1.00 0.00 C ATOM 1524 C ALA A 102 -9.011 3.973 -3.447 1.00 0.00 C ATOM 1525 O ALA A 102 -9.536 4.450 -4.453 1.00 0.00 O ATOM 1526 CB ALA A 102 -9.934 1.889 -2.319 1.00 0.00 C ATOM 0 H ALA A 102 -11.518 4.119 -3.309 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.336 3.722 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.932 1.463 -2.273 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.513 1.548 -1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.424 1.566 -3.238 1.00 0.00 H new ATOM 1532 N TYR A 103 -7.699 3.906 -3.277 1.00 0.00 N ATOM 1533 CA TYR A 103 -6.717 4.537 -4.140 1.00 0.00 C ATOM 1534 C TYR A 103 -5.599 3.558 -4.467 1.00 0.00 C ATOM 1535 O TYR A 103 -5.413 2.547 -3.783 1.00 0.00 O ATOM 1536 CB TYR A 103 -6.151 5.753 -3.398 1.00 0.00 C ATOM 1537 CG TYR A 103 -6.934 7.034 -3.582 1.00 0.00 C ATOM 1538 CD1 TYR A 103 -8.063 7.316 -2.788 1.00 0.00 C ATOM 1539 CD2 TYR A 103 -6.503 7.962 -4.544 1.00 0.00 C ATOM 1540 CE1 TYR A 103 -8.782 8.511 -2.979 1.00 0.00 C ATOM 1541 CE2 TYR A 103 -7.200 9.163 -4.731 1.00 0.00 C ATOM 1542 CZ TYR A 103 -8.352 9.437 -3.960 1.00 0.00 C ATOM 1543 OH TYR A 103 -9.040 10.590 -4.181 1.00 0.00 O ATOM 0 H TYR A 103 -7.275 3.391 -2.505 1.00 0.00 H new ATOM 0 HA TYR A 103 -7.181 4.846 -5.077 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -6.106 5.522 -2.334 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.127 5.919 -3.732 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -8.378 6.613 -2.031 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.630 7.749 -5.143 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -9.656 8.720 -2.381 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -6.857 9.879 -5.464 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.599 11.104 -4.889 1.00 0.00 H new ATOM 1553 N ALA A 104 -4.804 3.902 -5.474 1.00 0.00 N ATOM 1554 CA ALA A 104 -3.529 3.280 -5.765 1.00 0.00 C ATOM 1555 C ALA A 104 -2.469 4.385 -5.824 1.00 0.00 C ATOM 1556 O ALA A 104 -2.779 5.579 -5.937 1.00 0.00 O ATOM 1557 CB ALA A 104 -3.649 2.487 -7.075 1.00 0.00 C ATOM 0 H ALA A 104 -5.042 4.647 -6.129 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.231 2.571 -4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.694 2.015 -7.303 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.416 1.720 -6.967 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.922 3.163 -7.886 1.00 0.00 H new ATOM 1563 N ILE A 105 -1.202 3.993 -5.762 1.00 0.00 N ATOM 1564 CA ILE A 105 -0.063 4.865 -6.040 1.00 0.00 C ATOM 1565 C ILE A 105 0.565 4.317 -7.308 1.00 0.00 C ATOM 1566 O ILE A 105 1.000 3.165 -7.338 1.00 0.00 O ATOM 1567 CB ILE A 105 0.918 5.020 -4.845 1.00 0.00 C ATOM 1568 CG1 ILE A 105 2.359 5.325 -5.303 1.00 0.00 C ATOM 1569 CG2 ILE A 105 0.919 3.827 -3.895 1.00 0.00 C ATOM 1570 CD1 ILE A 105 3.317 5.714 -4.178 1.00 0.00 C ATOM 0 H ILE A 105 -0.930 3.042 -5.512 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.382 5.897 -6.189 1.00 0.00 H new ATOM 0 HB ILE A 105 0.538 5.877 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.757 4.448 -5.814 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.330 6.134 -6.033 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.627 4.007 -3.086 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.080 3.692 -3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.210 2.929 -4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.306 5.910 -4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.948 6.611 -3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.382 4.899 -3.457 1.00 0.00 H new ATOM 1582 N LYS A 106 0.581 5.143 -8.352 1.00 0.00 N ATOM 1583 CA LYS A 106 1.323 4.831 -9.559 1.00 0.00 C ATOM 1584 C LYS A 106 2.792 4.658 -9.197 1.00 0.00 C ATOM 1585 O LYS A 106 3.278 5.309 -8.274 1.00 0.00 O ATOM 1586 CB LYS A 106 1.176 5.996 -10.546 1.00 0.00 C ATOM 1587 CG LYS A 106 1.001 5.520 -11.996 1.00 0.00 C ATOM 1588 CD LYS A 106 -0.376 4.888 -12.280 1.00 0.00 C ATOM 1589 CE LYS A 106 -0.485 4.267 -13.683 1.00 0.00 C ATOM 1590 NZ LYS A 106 0.408 3.101 -13.856 1.00 0.00 N ATOM 0 H LYS A 106 0.086 6.034 -8.381 1.00 0.00 H new ATOM 0 HA LYS A 106 0.943 3.915 -10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.317 6.604 -10.260 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.056 6.636 -10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.147 6.366 -12.667 1.00 0.00 H new ATOM 0 HG3 LYS A 106 1.779 4.792 -12.226 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.575 4.119 -11.534 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -1.147 5.650 -12.167 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.516 3.961 -13.863 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -0.241 5.022 -14.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.201 2.637 -14.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.398 3.418 -13.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.253 2.427 -13.080 1.00 0.00 H new ATOM 1604 N ASP A 107 3.513 3.858 -9.980 1.00 0.00 N ATOM 1605 CA ASP A 107 4.967 3.686 -9.867 1.00 0.00 C ATOM 1606 C ASP A 107 5.357 2.990 -8.547 1.00 0.00 C ATOM 1607 O ASP A 107 6.543 2.848 -8.251 1.00 0.00 O ATOM 1608 CB ASP A 107 5.717 5.019 -10.094 1.00 0.00 C ATOM 1609 CG ASP A 107 5.141 5.857 -11.237 1.00 0.00 C ATOM 1610 OD1 ASP A 107 4.922 5.298 -12.336 1.00 0.00 O ATOM 1611 OD2 ASP A 107 4.837 7.051 -11.010 1.00 0.00 O ATOM 0 H ASP A 107 3.099 3.299 -10.726 1.00 0.00 H new ATOM 0 HA ASP A 107 5.286 3.018 -10.667 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.688 5.604 -9.175 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.765 4.806 -10.303 1.00 0.00 H new ATOM 1616 N GLY A 108 4.367 2.514 -7.781 1.00 0.00 N ATOM 1617 CA GLY A 108 4.477 1.754 -6.546 1.00 0.00 C ATOM 1618 C GLY A 108 5.507 2.322 -5.585 1.00 0.00 C ATOM 1619 O GLY A 108 5.437 3.495 -5.222 1.00 0.00 O ATOM 0 H GLY A 108 3.392 2.667 -8.037 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.505 1.730 -6.054 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.740 0.723 -6.783 1.00 0.00 H new ATOM 1623 N ALA A 109 6.429 1.483 -5.119 1.00 0.00 N ATOM 1624 CA ALA A 109 7.522 1.863 -4.243 1.00 0.00 C ATOM 1625 C ALA A 109 8.773 2.181 -5.059 1.00 0.00 C ATOM 1626 O ALA A 109 9.387 3.224 -4.845 1.00 0.00 O ATOM 1627 CB ALA A 109 7.796 0.742 -3.228 1.00 0.00 C ATOM 0 H ALA A 109 6.431 0.490 -5.351 1.00 0.00 H new ATOM 0 HA ALA A 109 7.241 2.762 -3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.618 1.036 -2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.902 0.566 -2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.063 -0.172 -3.759 1.00 0.00 H new ATOM 1633 N GLU A 110 9.163 1.245 -5.925 1.00 0.00 N ATOM 1634 CA GLU A 110 10.464 1.155 -6.576 1.00 0.00 C ATOM 1635 C GLU A 110 10.610 2.130 -7.758 1.00 0.00 C ATOM 1636 O GLU A 110 11.701 2.280 -8.320 1.00 0.00 O ATOM 1637 CB GLU A 110 10.702 -0.287 -7.073 1.00 0.00 C ATOM 1638 CG GLU A 110 10.653 -1.361 -5.972 1.00 0.00 C ATOM 1639 CD GLU A 110 11.212 -2.700 -6.470 1.00 0.00 C ATOM 1640 OE1 GLU A 110 10.535 -3.405 -7.254 1.00 0.00 O ATOM 1641 OE2 GLU A 110 12.362 -3.046 -6.115 1.00 0.00 O ATOM 0 H GLU A 110 8.541 0.487 -6.205 1.00 0.00 H new ATOM 0 HA GLU A 110 11.210 1.432 -5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.953 -0.525 -7.828 1.00 0.00 H new ATOM 0 HB3 GLU A 110 11.674 -0.332 -7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 110 11.226 -1.025 -5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 110 9.624 -1.496 -5.639 1.00 0.00 H new ATOM 1648 N GLY A 111 9.514 2.748 -8.205 1.00 0.00 N ATOM 1649 CA GLY A 111 9.520 3.523 -9.429 1.00 0.00 C ATOM 1650 C GLY A 111 10.256 4.854 -9.277 1.00 0.00 C ATOM 1651 O GLY A 111 10.371 5.380 -8.169 1.00 0.00 O ATOM 0 H GLY A 111 8.612 2.721 -7.729 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.990 2.940 -10.221 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.493 3.713 -9.740 1.00 0.00 H new ATOM 1655 N PRO A 112 10.669 5.483 -10.392 1.00 0.00 N ATOM 1656 CA PRO A 112 11.385 6.764 -10.389 1.00 0.00 C ATOM 1657 C PRO A 112 10.554 7.925 -9.833 1.00 0.00 C ATOM 1658 O PRO A 112 11.075 9.011 -9.567 1.00 0.00 O ATOM 1659 CB PRO A 112 11.781 7.021 -11.848 1.00 0.00 C ATOM 1660 CG PRO A 112 10.769 6.194 -12.629 1.00 0.00 C ATOM 1661 CD PRO A 112 10.570 4.970 -11.748 1.00 0.00 C ATOM 0 HA PRO A 112 12.249 6.705 -9.728 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.720 8.079 -12.102 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.804 6.703 -12.050 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.836 6.737 -12.781 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.145 5.924 -13.616 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.601 4.504 -11.927 1.00 0.00 H new ATOM 0 HD3 PRO A 112 11.329 4.212 -11.943 1.00 0.00 H new ATOM 1669 N ARG A 113 9.253 7.704 -9.657 1.00 0.00 N ATOM 1670 CA ARG A 113 8.297 8.595 -9.023 1.00 0.00 C ATOM 1671 C ARG A 113 7.369 7.815 -8.098 1.00 0.00 C ATOM 1672 O ARG A 113 6.283 8.307 -7.801 1.00 0.00 O ATOM 1673 CB ARG A 113 7.516 9.337 -10.115 1.00 0.00 C ATOM 1674 CG ARG A 113 8.352 10.402 -10.816 1.00 0.00 C ATOM 1675 CD ARG A 113 8.779 11.518 -9.851 1.00 0.00 C ATOM 1676 NE ARG A 113 9.136 12.726 -10.594 1.00 0.00 N ATOM 1677 CZ ARG A 113 10.148 12.846 -11.452 1.00 0.00 C ATOM 1678 NH1 ARG A 113 11.143 11.958 -11.475 1.00 0.00 N ATOM 1679 NH2 ARG A 113 10.110 13.861 -12.300 1.00 0.00 N ATOM 0 H ARG A 113 8.815 6.840 -9.976 1.00 0.00 H new ATOM 0 HA ARG A 113 8.820 9.325 -8.406 1.00 0.00 H new ATOM 0 HB2 ARG A 113 7.158 8.618 -10.852 1.00 0.00 H new ATOM 0 HB3 ARG A 113 6.636 9.804 -9.673 1.00 0.00 H new ATOM 0 HG2 ARG A 113 9.238 9.940 -11.252 1.00 0.00 H new ATOM 0 HG3 ARG A 113 7.779 10.831 -11.638 1.00 0.00 H new ATOM 0 HD2 ARG A 113 7.968 11.737 -9.157 1.00 0.00 H new ATOM 0 HD3 ARG A 113 9.629 11.186 -9.254 1.00 0.00 H new ATOM 0 HE ARG A 113 8.557 13.552 -10.441 1.00 0.00 H new ATOM 0 HH11 ARG A 113 11.138 11.169 -10.828 1.00 0.00 H new ATOM 0 HH12 ARG A 113 11.909 12.067 -12.140 1.00 0.00 H new ATOM 0 HH21 ARG A 113 9.326 14.514 -12.279 1.00 0.00 H new ATOM 0 HH22 ARG A 113 10.864 13.991 -12.974 1.00 0.00 H new ATOM 1693 N GLY A 114 7.742 6.599 -7.702 1.00 0.00 N ATOM 1694 CA GLY A 114 7.001 5.842 -6.715 1.00 0.00 C ATOM 1695 C GLY A 114 7.350 6.375 -5.324 1.00 0.00 C ATOM 1696 O GLY A 114 7.993 7.419 -5.171 1.00 0.00 O ATOM 0 H GLY A 114 8.567 6.118 -8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.930 5.932 -6.896 1.00 0.00 H new ATOM 0 HA3 GLY A 114 7.249 4.783 -6.787 1.00 0.00 H new ATOM 1700 N TRP A 115 6.923 5.647 -4.296 1.00 0.00 N ATOM 1701 CA TRP A 115 7.024 6.009 -2.891 1.00 0.00 C ATOM 1702 C TRP A 115 8.440 6.458 -2.528 1.00 0.00 C ATOM 1703 O TRP A 115 8.611 7.544 -1.969 1.00 0.00 O ATOM 1704 CB TRP A 115 6.560 4.824 -2.023 1.00 0.00 C ATOM 1705 CG TRP A 115 6.249 5.114 -0.585 1.00 0.00 C ATOM 1706 CD1 TRP A 115 7.163 5.286 0.396 1.00 0.00 C ATOM 1707 CD2 TRP A 115 4.946 5.230 0.062 1.00 0.00 C ATOM 1708 NE1 TRP A 115 6.521 5.474 1.603 1.00 0.00 N ATOM 1709 CE2 TRP A 115 5.150 5.481 1.450 1.00 0.00 C ATOM 1710 CE3 TRP A 115 3.609 5.142 -0.382 1.00 0.00 C ATOM 1711 CZ2 TRP A 115 4.080 5.678 2.335 1.00 0.00 C ATOM 1712 CZ3 TRP A 115 2.527 5.322 0.499 1.00 0.00 C ATOM 1713 CH2 TRP A 115 2.761 5.618 1.852 1.00 0.00 C ATOM 0 H TRP A 115 6.474 4.741 -4.431 1.00 0.00 H new ATOM 0 HA TRP A 115 6.372 6.860 -2.697 1.00 0.00 H new ATOM 0 HB2 TRP A 115 5.669 4.396 -2.483 1.00 0.00 H new ATOM 0 HB3 TRP A 115 7.334 4.058 -2.054 1.00 0.00 H new ATOM 0 HD1 TRP A 115 8.234 5.278 0.256 1.00 0.00 H new ATOM 0 HE1 TRP A 115 7.000 5.593 2.496 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.412 4.931 -1.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.268 5.874 3.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 1.514 5.232 0.134 1.00 0.00 H new ATOM 0 HH2 TRP A 115 1.931 5.799 2.519 1.00 0.00 H new ATOM 1724 N LEU A 116 9.439 5.620 -2.818 1.00 0.00 N ATOM 1725 CA LEU A 116 10.804 5.793 -2.327 1.00 0.00 C ATOM 1726 C LEU A 116 11.445 7.058 -2.887 1.00 0.00 C ATOM 1727 O LEU A 116 12.255 7.684 -2.202 1.00 0.00 O ATOM 1728 CB LEU A 116 11.659 4.570 -2.702 1.00 0.00 C ATOM 1729 CG LEU A 116 11.179 3.255 -2.060 1.00 0.00 C ATOM 1730 CD1 LEU A 116 11.978 2.076 -2.615 1.00 0.00 C ATOM 1731 CD2 LEU A 116 11.287 3.287 -0.536 1.00 0.00 C ATOM 0 H LEU A 116 9.319 4.795 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 116 10.756 5.889 -1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.657 4.456 -3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.691 4.754 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 116 10.126 3.135 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.630 1.152 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.839 2.018 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.036 2.217 -2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 116 10.938 2.339 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.326 3.446 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 116 10.674 4.099 -0.145 1.00 0.00 H new ATOM 1743 N ASN A 117 11.073 7.452 -4.106 1.00 0.00 N ATOM 1744 CA ASN A 117 11.642 8.603 -4.804 1.00 0.00 C ATOM 1745 C ASN A 117 10.789 9.858 -4.598 1.00 0.00 C ATOM 1746 O ASN A 117 11.092 10.903 -5.176 1.00 0.00 O ATOM 1747 CB ASN A 117 11.826 8.272 -6.297 1.00 0.00 C ATOM 1748 CG ASN A 117 13.077 7.434 -6.559 1.00 0.00 C ATOM 1749 OD1 ASN A 117 13.521 6.656 -5.720 1.00 0.00 O ATOM 1750 ND2 ASN A 117 13.685 7.577 -7.724 1.00 0.00 N ATOM 0 H ASN A 117 10.354 6.970 -4.645 1.00 0.00 H new ATOM 0 HA ASN A 117 12.623 8.820 -4.380 1.00 0.00 H new ATOM 0 HB2 ASN A 117 10.949 7.734 -6.658 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.887 9.199 -6.867 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.527 7.039 -7.929 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.312 8.225 -8.418 1.00 0.00 H new ATOM 1757 N SER A 118 9.724 9.802 -3.793 1.00 0.00 N ATOM 1758 CA SER A 118 8.812 10.921 -3.564 1.00 0.00 C ATOM 1759 C SER A 118 9.193 11.748 -2.319 1.00 0.00 C ATOM 1760 O SER A 118 8.467 12.681 -1.970 1.00 0.00 O ATOM 1761 CB SER A 118 7.393 10.345 -3.464 1.00 0.00 C ATOM 1762 OG SER A 118 6.392 11.346 -3.562 1.00 0.00 O ATOM 0 H SER A 118 9.469 8.962 -3.274 1.00 0.00 H new ATOM 0 HA SER A 118 8.874 11.623 -4.395 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.246 9.610 -4.255 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.284 9.818 -2.516 1.00 0.00 H new ATOM 0 HG SER A 118 6.678 12.144 -3.071 1.00 0.00 H new ATOM 1768 N SER A 119 10.288 11.409 -1.627 1.00 0.00 N ATOM 1769 CA SER A 119 10.555 11.749 -0.232 1.00 0.00 C ATOM 1770 C SER A 119 9.347 11.391 0.625 1.00 0.00 C ATOM 1771 O SER A 119 8.464 12.212 0.898 1.00 0.00 O ATOM 1772 CB SER A 119 11.070 13.181 -0.029 1.00 0.00 C ATOM 1773 OG SER A 119 11.506 13.319 1.316 1.00 0.00 O ATOM 0 H SER A 119 11.043 10.866 -2.047 1.00 0.00 H new ATOM 0 HA SER A 119 11.393 11.141 0.109 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.890 13.389 -0.716 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.281 13.901 -0.247 1.00 0.00 H new ATOM 0 HG SER A 119 11.839 14.229 1.460 1.00 0.00 H new ATOM 1779 N LEU A 120 9.317 10.120 1.015 1.00 0.00 N ATOM 1780 CA LEU A 120 8.365 9.543 1.943 1.00 0.00 C ATOM 1781 C LEU A 120 9.134 8.711 2.961 1.00 0.00 C ATOM 1782 O LEU A 120 10.220 8.226 2.645 1.00 0.00 O ATOM 1783 CB LEU A 120 7.348 8.702 1.166 1.00 0.00 C ATOM 1784 CG LEU A 120 6.343 9.571 0.399 1.00 0.00 C ATOM 1785 CD1 LEU A 120 5.375 8.690 -0.386 1.00 0.00 C ATOM 1786 CD2 LEU A 120 5.547 10.437 1.371 1.00 0.00 C ATOM 0 H LEU A 120 9.991 9.436 0.672 1.00 0.00 H new ATOM 0 HA LEU A 120 7.812 10.317 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 120 7.875 8.054 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.811 8.053 1.858 1.00 0.00 H new ATOM 0 HG LEU A 120 6.897 10.209 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.667 9.319 -0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.933 8.079 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.833 8.042 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 120 4.837 11.049 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.006 9.798 2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.228 11.083 1.924 1.00 0.00 H new ATOM 1798 N PRO A 121 8.601 8.545 4.179 1.00 0.00 N ATOM 1799 CA PRO A 121 9.276 7.773 5.206 1.00 0.00 C ATOM 1800 C PRO A 121 9.322 6.290 4.821 1.00 0.00 C ATOM 1801 O PRO A 121 8.449 5.804 4.089 1.00 0.00 O ATOM 1802 CB PRO A 121 8.476 8.028 6.486 1.00 0.00 C ATOM 1803 CG PRO A 121 7.147 8.644 6.070 1.00 0.00 C ATOM 1804 CD PRO A 121 7.326 9.082 4.627 1.00 0.00 C ATOM 0 HA PRO A 121 10.318 8.066 5.339 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.315 7.098 7.031 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.019 8.698 7.152 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.336 7.922 6.161 1.00 0.00 H new ATOM 0 HG3 PRO A 121 6.893 9.491 6.707 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.511 8.710 4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.316 10.169 4.549 1.00 0.00 H new ATOM 1812 N TRP A 122 10.273 5.538 5.377 1.00 0.00 N ATOM 1813 CA TRP A 122 10.409 4.103 5.159 1.00 0.00 C ATOM 1814 C TRP A 122 10.920 3.448 6.446 1.00 0.00 C ATOM 1815 O TRP A 122 11.465 4.132 7.315 1.00 0.00 O ATOM 1816 CB TRP A 122 11.349 3.864 3.967 1.00 0.00 C ATOM 1817 CG TRP A 122 11.176 2.552 3.273 1.00 0.00 C ATOM 1818 CD1 TRP A 122 12.111 1.585 3.176 1.00 0.00 C ATOM 1819 CD2 TRP A 122 10.058 2.108 2.448 1.00 0.00 C ATOM 1820 NE1 TRP A 122 11.640 0.564 2.374 1.00 0.00 N ATOM 1821 CE2 TRP A 122 10.351 0.809 1.940 1.00 0.00 C ATOM 1822 CE3 TRP A 122 8.851 2.704 2.028 1.00 0.00 C ATOM 1823 CZ2 TRP A 122 9.446 0.113 1.119 1.00 0.00 C ATOM 1824 CZ3 TRP A 122 7.956 2.030 1.176 1.00 0.00 C ATOM 1825 CH2 TRP A 122 8.246 0.730 0.734 1.00 0.00 C ATOM 0 H TRP A 122 10.982 5.920 6.003 1.00 0.00 H new ATOM 0 HA TRP A 122 9.447 3.650 4.917 1.00 0.00 H new ATOM 0 HB2 TRP A 122 11.200 4.663 3.241 1.00 0.00 H new ATOM 0 HB3 TRP A 122 12.379 3.939 4.316 1.00 0.00 H new ATOM 0 HD1 TRP A 122 13.080 1.606 3.653 1.00 0.00 H new ATOM 0 HE1 TRP A 122 12.177 -0.268 2.132 1.00 0.00 H new ATOM 0 HE3 TRP A 122 8.608 3.700 2.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 9.673 -0.889 0.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 7.044 2.515 0.862 1.00 0.00 H new ATOM 0 HH2 TRP A 122 7.547 0.206 0.099 1.00 0.00 H new ATOM 1836 N ILE A 123 10.729 2.138 6.590 1.00 0.00 N ATOM 1837 CA ILE A 123 11.130 1.336 7.750 1.00 0.00 C ATOM 1838 C ILE A 123 12.493 0.693 7.498 1.00 0.00 C ATOM 1839 O ILE A 123 13.235 0.483 8.455 1.00 0.00 O ATOM 1840 CB ILE A 123 10.052 0.253 8.050 1.00 0.00 C ATOM 1841 CG1 ILE A 123 8.749 0.936 8.503 1.00 0.00 C ATOM 1842 CG2 ILE A 123 10.476 -0.749 9.125 1.00 0.00 C ATOM 1843 CD1 ILE A 123 7.542 0.056 8.832 1.00 0.00 C ATOM 0 H ILE A 123 10.270 1.579 5.870 1.00 0.00 H new ATOM 0 HA ILE A 123 11.214 1.986 8.621 1.00 0.00 H new ATOM 0 HB ILE A 123 9.910 -0.304 7.124 1.00 0.00 H new ATOM 0 HG12 ILE A 123 8.976 1.531 9.387 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.449 1.631 7.719 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.677 -1.474 9.282 1.00 0.00 H new ATOM 0 HG22 ILE A 123 11.379 -1.268 8.803 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.675 -0.220 10.057 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.705 0.685 9.134 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.262 -0.522 7.951 1.00 0.00 H new ATOM 0 HD13 ILE A 123 7.798 -0.623 9.645 1.00 0.00 H new ATOM 1855 N GLU A 124 12.787 0.363 6.235 1.00 0.00 N ATOM 1856 CA GLU A 124 13.915 -0.458 5.794 1.00 0.00 C ATOM 1857 C GLU A 124 13.898 -1.902 6.348 1.00 0.00 C ATOM 1858 O GLU A 124 13.224 -2.205 7.343 1.00 0.00 O ATOM 1859 CB GLU A 124 15.248 0.268 6.081 1.00 0.00 C ATOM 1860 CG GLU A 124 15.660 1.175 4.921 1.00 0.00 C ATOM 1861 CD GLU A 124 17.157 1.457 4.990 1.00 0.00 C ATOM 1862 OE1 GLU A 124 17.582 2.219 5.890 1.00 0.00 O ATOM 1863 OE2 GLU A 124 17.917 0.844 4.205 1.00 0.00 O ATOM 0 H GLU A 124 12.213 0.679 5.454 1.00 0.00 H new ATOM 0 HA GLU A 124 13.812 -0.582 4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.151 0.862 6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 124 16.031 -0.468 6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.414 0.700 3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.102 2.111 4.964 1.00 0.00 H new ATOM 1870 N PRO A 125 14.666 -2.822 5.730 1.00 0.00 N ATOM 1871 CA PRO A 125 15.043 -4.076 6.364 1.00 0.00 C ATOM 1872 C PRO A 125 16.032 -3.818 7.524 1.00 0.00 C ATOM 1873 O PRO A 125 16.298 -2.685 7.915 1.00 0.00 O ATOM 1874 CB PRO A 125 15.642 -4.906 5.224 1.00 0.00 C ATOM 1875 CG PRO A 125 16.371 -3.864 4.387 1.00 0.00 C ATOM 1876 CD PRO A 125 15.482 -2.631 4.531 1.00 0.00 C ATOM 0 HA PRO A 125 14.209 -4.602 6.828 1.00 0.00 H new ATOM 0 HB2 PRO A 125 16.322 -5.672 5.597 1.00 0.00 H new ATOM 0 HB3 PRO A 125 14.870 -5.418 4.649 1.00 0.00 H new ATOM 0 HG2 PRO A 125 17.379 -3.681 4.758 1.00 0.00 H new ATOM 0 HG3 PRO A 125 16.466 -4.175 3.347 1.00 0.00 H new ATOM 0 HD2 PRO A 125 16.087 -1.729 4.618 1.00 0.00 H new ATOM 0 HD3 PRO A 125 14.850 -2.508 3.651 1.00 0.00 H new