USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 692 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 85 GLN : amide:sc= 1.04 K(o=3.5,f=-8.1!) USER MOD Set 1.2: A 90 LYS NZ :NH3+ -166:sc= 2.47 (180deg=1.16) USER MOD Set 2.1: A 13 TYR OH : rot 180:sc= -0.214 USER MOD Set 2.2: A 20 HIS : no HE2:sc= -1.87 K(o=-2.1,f=-6!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 177:sc= 1.05 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.00947 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0848 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 76:sc= 0.0744 USER MOD Single : A 31 SER OG : rot 33:sc= 0.0562 USER MOD Single : A 37 THR OG1 : rot 71:sc= 1.19 USER MOD Single : A 38 SER OG : rot 161:sc= 1.04 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.19) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0419 X(o=-0.042,f=-0.095) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000338) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.0114 X(o=0.011,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0469 USER MOD Single : A 68 TYR OH : rot 146:sc= 0.603 USER MOD Single : A 71 ASN : amide:sc= 0.357 K(o=0.36,f=-2!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 119:sc= -0.349 USER MOD Single : A 91 THR OG1 : rot 39:sc= 0.231 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -163:sc= -0.0844 (180deg=-0.369) USER MOD Single : A 98 GLN : amide:sc= 0.309 K(o=0.31,f=-1.7) USER MOD Single : A 101 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0386) USER MOD ----------------------------------------------------------------- ATOM 74 N VAL A 7 -23.123 1.403 -10.072 1.00 0.00 N ATOM 75 CA VAL A 7 -22.413 1.797 -8.871 1.00 0.00 C ATOM 76 C VAL A 7 -21.296 2.781 -9.244 1.00 0.00 C ATOM 77 O VAL A 7 -20.623 2.590 -10.255 1.00 0.00 O ATOM 78 CB VAL A 7 -21.932 0.507 -8.180 1.00 0.00 C ATOM 79 CG1 VAL A 7 -21.022 -0.380 -9.046 1.00 0.00 C ATOM 80 CG2 VAL A 7 -21.214 0.751 -6.857 1.00 0.00 C ATOM 0 HA VAL A 7 -23.042 2.332 -8.159 1.00 0.00 H new ATOM 0 HB VAL A 7 -22.870 -0.019 -8.000 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -20.731 -1.265 -8.480 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -21.559 -0.684 -9.945 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -20.130 0.179 -9.328 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -20.905 -0.203 -6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -20.336 1.373 -7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -21.888 1.257 -6.165 1.00 0.00 H new ATOM 90 N SER A 8 -21.077 3.808 -8.421 1.00 0.00 N ATOM 91 CA SER A 8 -19.881 4.637 -8.490 1.00 0.00 C ATOM 92 C SER A 8 -18.869 4.039 -7.518 1.00 0.00 C ATOM 93 O SER A 8 -19.208 3.783 -6.361 1.00 0.00 O ATOM 94 CB SER A 8 -20.192 6.087 -8.100 1.00 0.00 C ATOM 95 OG SER A 8 -20.924 6.764 -9.103 1.00 0.00 O ATOM 0 H SER A 8 -21.728 4.086 -7.687 1.00 0.00 H new ATOM 0 HA SER A 8 -19.491 4.654 -9.508 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.759 6.098 -7.169 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.259 6.619 -7.911 1.00 0.00 H new ATOM 0 HG SER A 8 -21.102 7.683 -8.814 1.00 0.00 H new ATOM 101 N TYR A 9 -17.641 3.803 -7.969 1.00 0.00 N ATOM 102 CA TYR A 9 -16.484 3.596 -7.108 1.00 0.00 C ATOM 103 C TYR A 9 -15.615 4.847 -7.186 1.00 0.00 C ATOM 104 O TYR A 9 -15.555 5.504 -8.228 1.00 0.00 O ATOM 105 CB TYR A 9 -15.693 2.360 -7.543 1.00 0.00 C ATOM 106 CG TYR A 9 -16.144 1.045 -6.931 1.00 0.00 C ATOM 107 CD1 TYR A 9 -17.471 0.609 -7.032 1.00 0.00 C ATOM 108 CD2 TYR A 9 -15.209 0.229 -6.281 1.00 0.00 C ATOM 109 CE1 TYR A 9 -17.839 -0.641 -6.503 1.00 0.00 C ATOM 110 CE2 TYR A 9 -15.539 -1.044 -5.771 1.00 0.00 C ATOM 111 CZ TYR A 9 -16.887 -1.481 -5.872 1.00 0.00 C ATOM 112 OH TYR A 9 -17.336 -2.661 -5.358 1.00 0.00 O ATOM 0 H TYR A 9 -17.419 3.749 -8.963 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.808 3.425 -6.082 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -15.753 2.275 -8.628 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.643 2.516 -7.293 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -18.210 1.231 -7.515 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -14.197 0.588 -6.166 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -18.866 -0.967 -6.579 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.786 -1.670 -5.315 1.00 0.00 H new ATOM 0 HH TYR A 9 -16.580 -3.169 -4.996 1.00 0.00 H new ATOM 122 N TYR A 10 -14.935 5.148 -6.086 1.00 0.00 N ATOM 123 CA TYR A 10 -14.173 6.359 -5.877 1.00 0.00 C ATOM 124 C TYR A 10 -12.771 5.945 -5.462 1.00 0.00 C ATOM 125 O TYR A 10 -12.562 5.465 -4.345 1.00 0.00 O ATOM 126 CB TYR A 10 -14.860 7.221 -4.818 1.00 0.00 C ATOM 127 CG TYR A 10 -16.224 7.729 -5.233 1.00 0.00 C ATOM 128 CD1 TYR A 10 -16.312 8.913 -5.988 1.00 0.00 C ATOM 129 CD2 TYR A 10 -17.393 7.018 -4.895 1.00 0.00 C ATOM 130 CE1 TYR A 10 -17.560 9.402 -6.402 1.00 0.00 C ATOM 131 CE2 TYR A 10 -18.644 7.515 -5.293 1.00 0.00 C ATOM 132 CZ TYR A 10 -18.734 8.703 -6.047 1.00 0.00 C ATOM 133 OH TYR A 10 -19.958 9.147 -6.436 1.00 0.00 O ATOM 0 H TYR A 10 -14.903 4.521 -5.282 1.00 0.00 H new ATOM 0 HA TYR A 10 -14.114 6.962 -6.783 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -14.963 6.640 -3.901 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.221 8.073 -4.586 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -15.412 9.449 -6.251 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -17.327 6.098 -4.334 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -17.622 10.307 -6.988 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -19.544 6.984 -5.020 1.00 0.00 H new ATOM 0 HH TYR A 10 -20.649 8.538 -6.101 1.00 0.00 H new ATOM 143 N PHE A 11 -11.831 6.087 -6.393 1.00 0.00 N ATOM 144 CA PHE A 11 -10.499 5.507 -6.351 1.00 0.00 C ATOM 145 C PHE A 11 -9.472 6.551 -6.811 1.00 0.00 C ATOM 146 O PHE A 11 -8.684 6.305 -7.728 1.00 0.00 O ATOM 147 CB PHE A 11 -10.460 4.197 -7.178 1.00 0.00 C ATOM 148 CG PHE A 11 -11.326 4.159 -8.432 1.00 0.00 C ATOM 149 CD1 PHE A 11 -11.249 5.178 -9.408 1.00 0.00 C ATOM 150 CD2 PHE A 11 -12.186 3.066 -8.649 1.00 0.00 C ATOM 151 CE1 PHE A 11 -12.008 5.095 -10.586 1.00 0.00 C ATOM 152 CE2 PHE A 11 -12.947 2.984 -9.829 1.00 0.00 C ATOM 153 CZ PHE A 11 -12.857 3.997 -10.798 1.00 0.00 C ATOM 0 H PHE A 11 -11.989 6.637 -7.237 1.00 0.00 H new ATOM 0 HA PHE A 11 -10.236 5.230 -5.330 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.427 4.009 -7.471 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.762 3.375 -6.529 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -10.601 6.027 -9.246 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.262 2.286 -7.906 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -11.939 5.876 -11.329 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.602 2.140 -9.990 1.00 0.00 H new ATOM 0 HZ PHE A 11 -13.440 3.931 -11.705 1.00 0.00 H new ATOM 163 N SER A 12 -9.441 7.702 -6.144 1.00 0.00 N ATOM 164 CA SER A 12 -8.393 8.708 -6.285 1.00 0.00 C ATOM 165 C SER A 12 -8.401 9.618 -5.052 1.00 0.00 C ATOM 166 O SER A 12 -9.128 9.347 -4.086 1.00 0.00 O ATOM 167 CB SER A 12 -8.630 9.460 -7.604 1.00 0.00 C ATOM 168 OG SER A 12 -9.950 9.984 -7.679 1.00 0.00 O ATOM 0 H SER A 12 -10.163 7.967 -5.474 1.00 0.00 H new ATOM 0 HA SER A 12 -7.400 8.262 -6.334 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.910 10.273 -7.694 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.457 8.786 -8.443 1.00 0.00 H new ATOM 0 HG SER A 12 -10.066 10.457 -8.529 1.00 0.00 H new ATOM 174 N TYR A 13 -7.563 10.660 -5.041 1.00 0.00 N ATOM 175 CA TYR A 13 -7.598 11.678 -4.000 1.00 0.00 C ATOM 176 C TYR A 13 -8.915 12.443 -4.092 1.00 0.00 C ATOM 177 O TYR A 13 -9.549 12.463 -5.152 1.00 0.00 O ATOM 178 CB TYR A 13 -6.408 12.638 -4.136 1.00 0.00 C ATOM 179 CG TYR A 13 -5.094 12.057 -3.651 1.00 0.00 C ATOM 180 CD1 TYR A 13 -4.284 11.241 -4.473 1.00 0.00 C ATOM 181 CD2 TYR A 13 -4.689 12.340 -2.337 1.00 0.00 C ATOM 182 CE1 TYR A 13 -3.075 10.708 -3.983 1.00 0.00 C ATOM 183 CE2 TYR A 13 -3.501 11.803 -1.831 1.00 0.00 C ATOM 184 CZ TYR A 13 -2.703 10.976 -2.647 1.00 0.00 C ATOM 185 OH TYR A 13 -1.587 10.415 -2.132 1.00 0.00 O ATOM 0 H TYR A 13 -6.848 10.816 -5.751 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.526 11.195 -3.025 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.303 12.926 -5.182 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.621 13.548 -3.575 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.594 11.024 -5.485 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.299 12.976 -1.713 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.443 10.105 -4.618 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.196 12.021 -0.818 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.475 10.703 -1.202 1.00 0.00 H new ATOM 195 N ALA A 14 -9.279 13.123 -3.011 1.00 0.00 N ATOM 196 CA ALA A 14 -10.437 13.999 -2.951 1.00 0.00 C ATOM 197 C ALA A 14 -10.082 15.451 -3.259 1.00 0.00 C ATOM 198 O ALA A 14 -10.978 16.236 -3.582 1.00 0.00 O ATOM 199 CB ALA A 14 -11.054 13.898 -1.559 1.00 0.00 C ATOM 0 H ALA A 14 -8.763 13.078 -2.132 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.148 13.678 -3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.925 14.551 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.358 12.869 -1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.320 14.203 -0.813 1.00 0.00 H new ATOM 205 N ASP A 15 -8.800 15.817 -3.221 1.00 0.00 N ATOM 206 CA ASP A 15 -8.403 17.219 -3.310 1.00 0.00 C ATOM 207 C ASP A 15 -7.047 17.373 -3.999 1.00 0.00 C ATOM 208 O ASP A 15 -6.177 18.120 -3.551 1.00 0.00 O ATOM 209 CB ASP A 15 -8.453 17.844 -1.901 1.00 0.00 C ATOM 210 CG ASP A 15 -9.057 19.250 -1.879 1.00 0.00 C ATOM 211 OD1 ASP A 15 -9.309 19.856 -2.949 1.00 0.00 O ATOM 212 OD2 ASP A 15 -9.400 19.676 -0.754 1.00 0.00 O ATOM 0 H ASP A 15 -8.023 15.163 -3.129 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.104 17.766 -3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.035 17.197 -1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.443 17.885 -1.494 1.00 0.00 H new ATOM 217 N GLY A 16 -6.818 16.604 -5.066 1.00 0.00 N ATOM 218 CA GLY A 16 -5.580 16.713 -5.827 1.00 0.00 C ATOM 219 C GLY A 16 -5.642 15.909 -7.114 1.00 0.00 C ATOM 220 O GLY A 16 -5.940 16.458 -8.179 1.00 0.00 O ATOM 0 H GLY A 16 -7.472 15.904 -5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.387 17.760 -6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.746 16.363 -5.218 1.00 0.00 H new ATOM 224 N GLY A 17 -5.358 14.608 -7.033 1.00 0.00 N ATOM 225 CA GLY A 17 -5.214 13.789 -8.226 1.00 0.00 C ATOM 226 C GLY A 17 -5.164 12.298 -7.932 1.00 0.00 C ATOM 227 O GLY A 17 -6.077 11.747 -7.314 1.00 0.00 O ATOM 0 H GLY A 17 -5.225 14.105 -6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.047 13.991 -8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.303 14.079 -8.749 1.00 0.00 H new ATOM 231 N THR A 18 -4.122 11.611 -8.398 1.00 0.00 N ATOM 232 CA THR A 18 -4.081 10.150 -8.501 1.00 0.00 C ATOM 233 C THR A 18 -2.718 9.576 -8.087 1.00 0.00 C ATOM 234 O THR A 18 -2.460 8.389 -8.289 1.00 0.00 O ATOM 235 CB THR A 18 -4.504 9.731 -9.927 1.00 0.00 C ATOM 236 OG1 THR A 18 -4.047 10.642 -10.908 1.00 0.00 O ATOM 237 CG2 THR A 18 -6.027 9.637 -10.043 1.00 0.00 C ATOM 0 H THR A 18 -3.266 12.061 -8.721 1.00 0.00 H new ATOM 0 HA THR A 18 -4.792 9.723 -7.794 1.00 0.00 H new ATOM 0 HB THR A 18 -4.049 8.756 -10.102 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.334 10.339 -11.795 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.297 9.340 -11.057 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.401 8.896 -9.336 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.470 10.608 -9.819 1.00 0.00 H new ATOM 245 N SER A 19 -1.845 10.394 -7.500 1.00 0.00 N ATOM 246 CA SER A 19 -0.539 10.046 -6.985 1.00 0.00 C ATOM 247 C SER A 19 -0.126 11.058 -5.914 1.00 0.00 C ATOM 248 O SER A 19 -0.791 12.076 -5.719 1.00 0.00 O ATOM 249 CB SER A 19 0.446 10.072 -8.157 1.00 0.00 C ATOM 250 OG SER A 19 0.817 8.758 -8.531 1.00 0.00 O ATOM 0 H SER A 19 -2.055 11.383 -7.367 1.00 0.00 H new ATOM 0 HA SER A 19 -0.550 9.055 -6.530 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.007 10.583 -9.007 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.334 10.640 -7.879 1.00 0.00 H new ATOM 0 HG SER A 19 1.445 8.797 -9.282 1.00 0.00 H new ATOM 256 N HIS A 20 0.995 10.772 -5.258 1.00 0.00 N ATOM 257 CA HIS A 20 1.696 11.603 -4.280 1.00 0.00 C ATOM 258 C HIS A 20 3.167 11.709 -4.690 1.00 0.00 C ATOM 259 O HIS A 20 3.752 10.743 -5.195 1.00 0.00 O ATOM 260 CB HIS A 20 1.575 11.054 -2.835 1.00 0.00 C ATOM 261 CG HIS A 20 1.358 9.569 -2.591 1.00 0.00 C ATOM 262 ND1 HIS A 20 1.522 8.527 -3.475 1.00 0.00 N ATOM 263 CD2 HIS A 20 0.926 9.023 -1.409 1.00 0.00 C ATOM 264 CE1 HIS A 20 1.125 7.403 -2.863 1.00 0.00 C ATOM 265 NE2 HIS A 20 0.783 7.643 -1.590 1.00 0.00 N ATOM 0 H HIS A 20 1.475 9.885 -5.407 1.00 0.00 H new ATOM 0 HA HIS A 20 1.230 12.588 -4.275 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.484 11.338 -2.305 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.750 11.583 -2.358 1.00 0.00 H new ATOM 0 HD1 HIS A 20 1.882 8.598 -4.427 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.730 9.565 -0.496 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.086 6.432 -3.334 1.00 0.00 H new ATOM 273 N THR A 21 3.784 12.872 -4.492 1.00 0.00 N ATOM 274 CA THR A 21 5.210 13.096 -4.678 1.00 0.00 C ATOM 275 C THR A 21 5.653 14.248 -3.768 1.00 0.00 C ATOM 276 O THR A 21 5.594 15.413 -4.171 1.00 0.00 O ATOM 277 CB THR A 21 5.534 13.392 -6.158 1.00 0.00 C ATOM 278 OG1 THR A 21 4.885 12.483 -7.041 1.00 0.00 O ATOM 279 CG2 THR A 21 7.044 13.328 -6.415 1.00 0.00 C ATOM 0 H THR A 21 3.287 13.709 -4.188 1.00 0.00 H new ATOM 0 HA THR A 21 5.759 12.195 -4.407 1.00 0.00 H new ATOM 0 HB THR A 21 5.165 14.399 -6.355 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.115 12.706 -7.967 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.244 13.540 -7.465 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.551 14.066 -5.793 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.413 12.332 -6.170 1.00 0.00 H new ATOM 287 N GLU A 22 6.081 13.952 -2.542 1.00 0.00 N ATOM 288 CA GLU A 22 6.619 14.980 -1.654 1.00 0.00 C ATOM 289 C GLU A 22 8.122 15.145 -1.911 1.00 0.00 C ATOM 290 O GLU A 22 8.814 14.191 -2.297 1.00 0.00 O ATOM 291 CB GLU A 22 6.314 14.633 -0.185 1.00 0.00 C ATOM 292 CG GLU A 22 5.674 15.790 0.598 1.00 0.00 C ATOM 293 CD GLU A 22 4.308 16.250 0.064 1.00 0.00 C ATOM 294 OE1 GLU A 22 3.726 15.639 -0.866 1.00 0.00 O ATOM 295 OE2 GLU A 22 3.798 17.290 0.533 1.00 0.00 O ATOM 0 H GLU A 22 6.066 13.014 -2.143 1.00 0.00 H new ATOM 0 HA GLU A 22 6.138 15.936 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.647 13.771 -0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.239 14.338 0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.558 15.486 1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.357 16.639 0.588 1.00 0.00 H new ATOM 302 N TYR A 23 8.634 16.356 -1.672 1.00 0.00 N ATOM 303 CA TYR A 23 10.028 16.717 -1.888 1.00 0.00 C ATOM 304 C TYR A 23 10.546 17.505 -0.669 1.00 0.00 C ATOM 305 O TYR A 23 10.769 18.714 -0.793 1.00 0.00 O ATOM 306 CB TYR A 23 10.151 17.568 -3.162 1.00 0.00 C ATOM 307 CG TYR A 23 9.814 16.894 -4.474 1.00 0.00 C ATOM 308 CD1 TYR A 23 8.497 16.923 -4.968 1.00 0.00 C ATOM 309 CD2 TYR A 23 10.845 16.338 -5.251 1.00 0.00 C ATOM 310 CE1 TYR A 23 8.225 16.464 -6.268 1.00 0.00 C ATOM 311 CE2 TYR A 23 10.583 15.865 -6.547 1.00 0.00 C ATOM 312 CZ TYR A 23 9.272 15.949 -7.064 1.00 0.00 C ATOM 313 OH TYR A 23 9.038 15.585 -8.354 1.00 0.00 O ATOM 0 H TYR A 23 8.072 17.128 -1.314 1.00 0.00 H new ATOM 0 HA TYR A 23 10.626 15.814 -2.010 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.503 18.438 -3.052 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.174 17.938 -3.224 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.696 17.298 -4.349 1.00 0.00 H new ATOM 0 HD2 TYR A 23 11.845 16.274 -4.849 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.218 16.505 -6.657 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.377 15.441 -7.143 1.00 0.00 H new ATOM 0 HH TYR A 23 9.868 15.253 -8.756 1.00 0.00 H new ATOM 323 N PRO A 24 10.718 16.890 0.514 1.00 0.00 N ATOM 324 CA PRO A 24 11.132 17.608 1.718 1.00 0.00 C ATOM 325 C PRO A 24 12.598 18.053 1.620 1.00 0.00 C ATOM 326 O PRO A 24 13.293 17.748 0.648 1.00 0.00 O ATOM 327 CB PRO A 24 10.895 16.622 2.862 1.00 0.00 C ATOM 328 CG PRO A 24 11.184 15.285 2.194 1.00 0.00 C ATOM 329 CD PRO A 24 10.583 15.470 0.798 1.00 0.00 C ATOM 0 HA PRO A 24 10.570 18.529 1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.560 16.809 3.705 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.875 16.676 3.242 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.253 15.077 2.150 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.719 14.456 2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.111 14.868 0.058 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.538 15.161 0.774 1.00 0.00 H new ATOM 337 N ASP A 25 13.069 18.802 2.615 1.00 0.00 N ATOM 338 CA ASP A 25 14.466 19.189 2.794 1.00 0.00 C ATOM 339 C ASP A 25 14.728 19.327 4.291 1.00 0.00 C ATOM 340 O ASP A 25 13.779 19.308 5.083 1.00 0.00 O ATOM 341 CB ASP A 25 14.764 20.495 2.034 1.00 0.00 C ATOM 342 CG ASP A 25 16.130 21.122 2.339 1.00 0.00 C ATOM 343 OD1 ASP A 25 17.178 20.433 2.249 1.00 0.00 O ATOM 344 OD2 ASP A 25 16.163 22.337 2.654 1.00 0.00 O ATOM 0 H ASP A 25 12.463 19.171 3.348 1.00 0.00 H new ATOM 0 HA ASP A 25 15.132 18.430 2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.702 20.298 0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.986 21.221 2.270 1.00 0.00 H new ATOM 349 N ASP A 26 15.992 19.520 4.660 1.00 0.00 N ATOM 350 CA ASP A 26 16.522 19.671 6.005 1.00 0.00 C ATOM 351 C ASP A 26 16.214 18.428 6.828 1.00 0.00 C ATOM 352 O ASP A 26 17.063 17.537 6.840 1.00 0.00 O ATOM 353 CB ASP A 26 16.067 21.002 6.627 1.00 0.00 C ATOM 354 CG ASP A 26 16.464 21.153 8.093 1.00 0.00 C ATOM 355 OD1 ASP A 26 17.481 20.578 8.545 1.00 0.00 O ATOM 356 OD2 ASP A 26 15.743 21.876 8.818 1.00 0.00 O ATOM 0 H ASP A 26 16.733 19.579 3.961 1.00 0.00 H new ATOM 0 HA ASP A 26 17.610 19.740 5.980 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.494 21.826 6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.983 21.083 6.542 1.00 0.00 H new ATOM 361 N SER A 27 15.037 18.337 7.449 1.00 0.00 N ATOM 362 CA SER A 27 14.646 17.245 8.316 1.00 0.00 C ATOM 363 C SER A 27 13.172 16.841 8.184 1.00 0.00 C ATOM 364 O SER A 27 12.717 16.002 8.962 1.00 0.00 O ATOM 365 CB SER A 27 15.018 17.664 9.741 1.00 0.00 C ATOM 366 OG SER A 27 14.538 18.955 10.100 1.00 0.00 O ATOM 0 H SER A 27 14.312 19.049 7.354 1.00 0.00 H new ATOM 0 HA SER A 27 15.177 16.339 8.024 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.620 16.930 10.442 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.103 17.648 9.844 1.00 0.00 H new ATOM 0 HG SER A 27 14.808 19.160 11.020 1.00 0.00 H new ATOM 372 N SER A 28 12.407 17.437 7.260 1.00 0.00 N ATOM 373 CA SER A 28 10.945 17.390 7.272 1.00 0.00 C ATOM 374 C SER A 28 10.349 16.067 6.748 1.00 0.00 C ATOM 375 O SER A 28 9.687 16.014 5.708 1.00 0.00 O ATOM 376 CB SER A 28 10.391 18.565 6.478 1.00 0.00 C ATOM 377 OG SER A 28 11.059 19.792 6.730 1.00 0.00 O ATOM 0 H SER A 28 12.791 17.968 6.479 1.00 0.00 H new ATOM 0 HA SER A 28 10.645 17.455 8.318 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.459 18.337 5.414 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.333 18.683 6.712 1.00 0.00 H new ATOM 0 HG SER A 28 11.922 19.796 6.266 1.00 0.00 H new ATOM 383 N ALA A 29 10.556 14.995 7.496 1.00 0.00 N ATOM 384 CA ALA A 29 10.081 13.639 7.241 1.00 0.00 C ATOM 385 C ALA A 29 9.444 13.115 8.527 1.00 0.00 C ATOM 386 O ALA A 29 10.109 13.016 9.561 1.00 0.00 O ATOM 387 CB ALA A 29 11.237 12.748 6.777 1.00 0.00 C ATOM 0 H ALA A 29 11.098 15.051 8.358 1.00 0.00 H new ATOM 0 HA ALA A 29 9.339 13.634 6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.867 11.740 6.591 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.663 13.153 5.859 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.005 12.716 7.550 1.00 0.00 H new ATOM 393 N GLY A 30 8.149 12.809 8.492 1.00 0.00 N ATOM 394 CA GLY A 30 7.354 12.553 9.677 1.00 0.00 C ATOM 395 C GLY A 30 5.975 12.075 9.255 1.00 0.00 C ATOM 396 O GLY A 30 5.812 11.609 8.125 1.00 0.00 O ATOM 0 H GLY A 30 7.620 12.732 7.623 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.839 11.801 10.300 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.271 13.459 10.277 1.00 0.00 H new ATOM 400 N SER A 31 4.997 12.116 10.164 1.00 0.00 N ATOM 401 CA SER A 31 3.757 11.364 10.023 1.00 0.00 C ATOM 402 C SER A 31 2.545 12.285 9.922 1.00 0.00 C ATOM 403 O SER A 31 2.209 12.990 10.879 1.00 0.00 O ATOM 404 CB SER A 31 3.665 10.315 11.141 1.00 0.00 C ATOM 405 OG SER A 31 3.671 10.838 12.455 1.00 0.00 O ATOM 0 H SER A 31 5.047 12.673 11.017 1.00 0.00 H new ATOM 0 HA SER A 31 3.761 10.820 9.078 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.752 9.736 11.001 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.500 9.622 11.038 1.00 0.00 H new ATOM 0 HG SER A 31 3.219 11.708 12.463 1.00 0.00 H new ATOM 411 N PHE A 32 1.877 12.284 8.768 1.00 0.00 N ATOM 412 CA PHE A 32 0.657 13.049 8.510 1.00 0.00 C ATOM 413 C PHE A 32 -0.401 12.172 7.825 1.00 0.00 C ATOM 414 O PHE A 32 -0.299 10.943 7.853 1.00 0.00 O ATOM 415 CB PHE A 32 1.002 14.349 7.768 1.00 0.00 C ATOM 416 CG PHE A 32 1.776 14.182 6.475 1.00 0.00 C ATOM 417 CD1 PHE A 32 1.097 14.020 5.251 1.00 0.00 C ATOM 418 CD2 PHE A 32 3.185 14.224 6.494 1.00 0.00 C ATOM 419 CE1 PHE A 32 1.827 13.919 4.054 1.00 0.00 C ATOM 420 CE2 PHE A 32 3.908 14.152 5.293 1.00 0.00 C ATOM 421 CZ PHE A 32 3.227 14.011 4.072 1.00 0.00 C ATOM 0 H PHE A 32 2.179 11.735 7.963 1.00 0.00 H new ATOM 0 HA PHE A 32 0.196 13.358 9.448 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.074 14.878 7.549 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.581 14.985 8.437 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.018 13.974 5.233 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.709 14.312 7.434 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.309 13.770 3.118 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.987 14.205 5.307 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.782 13.973 3.146 1.00 0.00 H new ATOM 431 N ILE A 33 -1.490 12.772 7.339 1.00 0.00 N ATOM 432 CA ILE A 33 -2.685 12.098 6.835 1.00 0.00 C ATOM 433 C ILE A 33 -3.190 12.913 5.630 1.00 0.00 C ATOM 434 O ILE A 33 -3.048 14.139 5.631 1.00 0.00 O ATOM 435 CB ILE A 33 -3.734 11.996 7.977 1.00 0.00 C ATOM 436 CG1 ILE A 33 -3.122 11.405 9.273 1.00 0.00 C ATOM 437 CG2 ILE A 33 -4.928 11.169 7.482 1.00 0.00 C ATOM 438 CD1 ILE A 33 -4.056 11.280 10.476 1.00 0.00 C ATOM 0 H ILE A 33 -1.564 13.788 7.284 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.481 11.079 6.507 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.076 12.998 8.237 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.728 10.415 9.043 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.274 12.026 9.563 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.671 11.091 8.276 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.374 11.656 6.615 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.589 10.171 7.203 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.510 10.854 11.318 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.432 12.266 10.749 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.893 10.630 10.221 1.00 0.00 H new ATOM 450 N LEU A 34 -3.771 12.266 4.613 1.00 0.00 N ATOM 451 CA LEU A 34 -4.144 12.873 3.332 1.00 0.00 C ATOM 452 C LEU A 34 -5.618 12.620 3.002 1.00 0.00 C ATOM 453 O LEU A 34 -6.310 11.924 3.746 1.00 0.00 O ATOM 454 CB LEU A 34 -3.221 12.334 2.228 1.00 0.00 C ATOM 455 CG LEU A 34 -1.752 12.767 2.373 1.00 0.00 C ATOM 456 CD1 LEU A 34 -0.905 12.125 1.269 1.00 0.00 C ATOM 457 CD2 LEU A 34 -1.616 14.287 2.300 1.00 0.00 C ATOM 0 H LEU A 34 -4.001 11.274 4.662 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.019 13.954 3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.270 11.245 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.594 12.670 1.261 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.398 12.434 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.134 12.437 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.968 11.040 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.277 12.441 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.567 14.564 2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.990 14.640 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.194 14.743 3.104 1.00 0.00 H new ATOM 469 N ASP A 35 -6.095 13.200 1.898 1.00 0.00 N ATOM 470 CA ASP A 35 -7.520 13.347 1.597 1.00 0.00 C ATOM 471 C ASP A 35 -7.837 12.430 0.426 1.00 0.00 C ATOM 472 O ASP A 35 -7.623 12.778 -0.739 1.00 0.00 O ATOM 473 CB ASP A 35 -7.881 14.811 1.294 1.00 0.00 C ATOM 474 CG ASP A 35 -7.650 15.762 2.467 1.00 0.00 C ATOM 475 OD1 ASP A 35 -7.414 15.311 3.610 1.00 0.00 O ATOM 476 OD2 ASP A 35 -7.582 16.991 2.246 1.00 0.00 O ATOM 0 H ASP A 35 -5.489 13.588 1.175 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.122 13.065 2.461 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.292 15.151 0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.929 14.863 0.998 1.00 0.00 H new ATOM 481 N ILE A 36 -8.247 11.201 0.731 1.00 0.00 N ATOM 482 CA ILE A 36 -8.259 10.090 -0.213 1.00 0.00 C ATOM 483 C ILE A 36 -9.667 9.495 -0.243 1.00 0.00 C ATOM 484 O ILE A 36 -10.388 9.520 0.757 1.00 0.00 O ATOM 485 CB ILE A 36 -7.123 9.108 0.180 1.00 0.00 C ATOM 486 CG1 ILE A 36 -5.755 9.733 -0.199 1.00 0.00 C ATOM 487 CG2 ILE A 36 -7.266 7.720 -0.475 1.00 0.00 C ATOM 488 CD1 ILE A 36 -4.571 9.225 0.622 1.00 0.00 C ATOM 0 H ILE A 36 -8.586 10.946 1.659 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.048 10.392 -1.239 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.190 8.950 1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.560 9.535 -1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.821 10.815 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.441 7.082 -0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.210 7.269 -0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.248 7.826 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.658 9.717 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.737 9.447 1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.472 8.148 0.490 1.00 0.00 H new ATOM 500 N THR A 37 -10.056 8.926 -1.382 1.00 0.00 N ATOM 501 CA THR A 37 -11.348 8.277 -1.574 1.00 0.00 C ATOM 502 C THR A 37 -11.109 6.781 -1.772 1.00 0.00 C ATOM 503 O THR A 37 -10.188 6.392 -2.499 1.00 0.00 O ATOM 504 CB THR A 37 -12.130 8.920 -2.741 1.00 0.00 C ATOM 505 OG1 THR A 37 -11.587 10.140 -3.218 1.00 0.00 O ATOM 506 CG2 THR A 37 -13.558 9.216 -2.287 1.00 0.00 C ATOM 0 H THR A 37 -9.467 8.904 -2.215 1.00 0.00 H new ATOM 0 HA THR A 37 -11.975 8.415 -0.693 1.00 0.00 H new ATOM 0 HB THR A 37 -12.078 8.196 -3.554 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.747 9.962 -3.691 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.114 9.670 -3.107 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.045 8.287 -1.989 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.536 9.902 -1.440 1.00 0.00 H new ATOM 514 N SER A 38 -11.891 5.940 -1.090 1.00 0.00 N ATOM 515 CA SER A 38 -11.696 4.493 -1.032 1.00 0.00 C ATOM 516 C SER A 38 -13.045 3.802 -0.772 1.00 0.00 C ATOM 517 O SER A 38 -13.168 2.926 0.088 1.00 0.00 O ATOM 518 CB SER A 38 -10.658 4.214 0.064 1.00 0.00 C ATOM 519 OG SER A 38 -10.234 2.867 0.078 1.00 0.00 O ATOM 0 H SER A 38 -12.697 6.257 -0.550 1.00 0.00 H new ATOM 0 HA SER A 38 -11.322 4.092 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.794 4.862 -0.085 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.083 4.468 1.035 1.00 0.00 H new ATOM 0 HG SER A 38 -9.385 2.796 0.563 1.00 0.00 H new ATOM 525 N TYR A 39 -14.101 4.221 -1.476 1.00 0.00 N ATOM 526 CA TYR A 39 -15.456 3.743 -1.204 1.00 0.00 C ATOM 527 C TYR A 39 -16.237 3.501 -2.487 1.00 0.00 C ATOM 528 O TYR A 39 -15.800 3.879 -3.576 1.00 0.00 O ATOM 529 CB TYR A 39 -16.184 4.678 -0.212 1.00 0.00 C ATOM 530 CG TYR A 39 -16.559 6.085 -0.661 1.00 0.00 C ATOM 531 CD1 TYR A 39 -17.755 6.316 -1.374 1.00 0.00 C ATOM 532 CD2 TYR A 39 -15.798 7.187 -0.227 1.00 0.00 C ATOM 533 CE1 TYR A 39 -18.186 7.626 -1.664 1.00 0.00 C ATOM 534 CE2 TYR A 39 -16.231 8.499 -0.489 1.00 0.00 C ATOM 535 CZ TYR A 39 -17.417 8.724 -1.217 1.00 0.00 C ATOM 536 OH TYR A 39 -17.838 9.998 -1.435 1.00 0.00 O ATOM 0 H TYR A 39 -14.041 4.893 -2.241 1.00 0.00 H new ATOM 0 HA TYR A 39 -15.383 2.771 -0.717 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -17.101 4.177 0.100 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -15.555 4.772 0.673 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -18.349 5.476 -1.702 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -14.876 7.024 0.311 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -19.096 7.789 -2.223 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -15.652 9.338 -0.131 1.00 0.00 H new ATOM 0 HH TYR A 39 -17.187 10.627 -1.059 1.00 0.00 H new ATOM 546 N LYS A 40 -17.396 2.855 -2.364 1.00 0.00 N ATOM 547 CA LYS A 40 -18.391 2.739 -3.417 1.00 0.00 C ATOM 548 C LYS A 40 -19.680 3.417 -2.965 1.00 0.00 C ATOM 549 O LYS A 40 -19.923 3.550 -1.761 1.00 0.00 O ATOM 550 CB LYS A 40 -18.613 1.271 -3.803 1.00 0.00 C ATOM 551 CG LYS A 40 -19.374 0.409 -2.764 1.00 0.00 C ATOM 552 CD LYS A 40 -20.154 -0.706 -3.470 1.00 0.00 C ATOM 553 CE LYS A 40 -21.390 -1.189 -2.710 1.00 0.00 C ATOM 554 NZ LYS A 40 -21.068 -2.025 -1.543 1.00 0.00 N ATOM 0 H LYS A 40 -17.672 2.386 -1.501 1.00 0.00 H new ATOM 0 HA LYS A 40 -18.035 3.244 -4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.162 1.241 -4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.641 0.812 -3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.669 -0.024 -2.054 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -20.058 1.036 -2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.462 -0.351 -4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.487 -1.553 -3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -21.966 -0.324 -2.380 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -22.027 -1.756 -3.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.845 -2.695 -1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.190 -2.552 -1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.941 -1.420 -0.707 1.00 0.00 H new ATOM 568 N LYS A 41 -20.531 3.797 -3.910 1.00 0.00 N ATOM 569 CA LYS A 41 -21.823 4.438 -3.691 1.00 0.00 C ATOM 570 C LYS A 41 -22.826 3.834 -4.655 1.00 0.00 C ATOM 571 O LYS A 41 -22.493 3.650 -5.826 1.00 0.00 O ATOM 572 CB LYS A 41 -21.677 5.936 -3.964 1.00 0.00 C ATOM 573 CG LYS A 41 -22.905 6.720 -3.523 1.00 0.00 C ATOM 574 CD LYS A 41 -22.729 8.212 -3.802 1.00 0.00 C ATOM 575 CE LYS A 41 -23.666 8.999 -2.882 1.00 0.00 C ATOM 576 NZ LYS A 41 -25.101 8.869 -3.231 1.00 0.00 N ATOM 0 H LYS A 41 -20.329 3.660 -4.900 1.00 0.00 H new ATOM 0 HA LYS A 41 -22.163 4.287 -2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.798 6.315 -3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.509 6.095 -5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.786 6.349 -4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -23.079 6.563 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.694 8.509 -3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.954 8.430 -4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -23.520 8.661 -1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -23.389 10.053 -2.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -25.672 9.428 -2.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -25.256 9.218 -4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -25.383 7.870 -3.174 1.00 0.00 H new ATOM 590 N THR A 42 -24.021 3.519 -4.163 1.00 0.00 N ATOM 591 CA THR A 42 -25.110 2.931 -4.933 1.00 0.00 C ATOM 592 C THR A 42 -26.323 2.820 -4.008 1.00 0.00 C ATOM 593 O THR A 42 -26.174 2.613 -2.795 1.00 0.00 O ATOM 594 CB THR A 42 -24.688 1.577 -5.552 1.00 0.00 C ATOM 595 OG1 THR A 42 -25.757 0.915 -6.193 1.00 0.00 O ATOM 596 CG2 THR A 42 -24.064 0.587 -4.562 1.00 0.00 C ATOM 0 H THR A 42 -24.265 3.672 -3.184 1.00 0.00 H new ATOM 0 HA THR A 42 -25.373 3.562 -5.782 1.00 0.00 H new ATOM 0 HB THR A 42 -23.927 1.870 -6.275 1.00 0.00 H new ATOM 0 HG1 THR A 42 -25.439 0.067 -6.568 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.800 -0.332 -5.085 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.167 1.026 -4.125 1.00 0.00 H new ATOM 0 HG23 THR A 42 -24.780 0.362 -3.772 1.00 0.00 H new ATOM 604 N GLY A 43 -27.518 2.920 -4.589 1.00 0.00 N ATOM 605 CA GLY A 43 -28.789 2.784 -3.904 1.00 0.00 C ATOM 606 C GLY A 43 -28.946 3.835 -2.813 1.00 0.00 C ATOM 607 O GLY A 43 -29.264 4.985 -3.108 1.00 0.00 O ATOM 0 H GLY A 43 -27.624 3.105 -5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -29.603 2.878 -4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -28.864 1.789 -3.466 1.00 0.00 H new ATOM 611 N ASN A 44 -28.737 3.437 -1.557 1.00 0.00 N ATOM 612 CA ASN A 44 -29.011 4.252 -0.376 1.00 0.00 C ATOM 613 C ASN A 44 -27.932 4.048 0.693 1.00 0.00 C ATOM 614 O ASN A 44 -28.227 3.989 1.891 1.00 0.00 O ATOM 615 CB ASN A 44 -30.423 3.940 0.153 1.00 0.00 C ATOM 616 CG ASN A 44 -30.923 5.050 1.070 1.00 0.00 C ATOM 617 OD1 ASN A 44 -31.066 6.188 0.634 1.00 0.00 O ATOM 618 ND2 ASN A 44 -31.235 4.773 2.325 1.00 0.00 N ATOM 0 H ASN A 44 -28.363 2.516 -1.329 1.00 0.00 H new ATOM 0 HA ASN A 44 -28.981 5.306 -0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -31.110 3.819 -0.685 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -30.411 2.994 0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -31.596 5.507 2.935 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -31.115 3.826 2.683 1.00 0.00 H new ATOM 625 N SER A 45 -26.679 3.831 0.282 1.00 0.00 N ATOM 626 CA SER A 45 -25.529 3.765 1.178 1.00 0.00 C ATOM 627 C SER A 45 -24.255 4.206 0.452 1.00 0.00 C ATOM 628 O SER A 45 -24.232 4.374 -0.773 1.00 0.00 O ATOM 629 CB SER A 45 -25.346 2.334 1.725 1.00 0.00 C ATOM 630 OG SER A 45 -26.555 1.756 2.196 1.00 0.00 O ATOM 0 H SER A 45 -26.435 3.695 -0.699 1.00 0.00 H new ATOM 0 HA SER A 45 -25.714 4.441 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 45 -24.931 1.702 0.940 1.00 0.00 H new ATOM 0 HB3 SER A 45 -24.619 2.353 2.537 1.00 0.00 H new ATOM 0 HG SER A 45 -26.377 0.851 2.528 1.00 0.00 H new ATOM 636 N THR A 46 -23.168 4.301 1.207 1.00 0.00 N ATOM 637 CA THR A 46 -21.805 4.208 0.756 1.00 0.00 C ATOM 638 C THR A 46 -21.217 3.054 1.573 1.00 0.00 C ATOM 639 O THR A 46 -21.718 2.715 2.653 1.00 0.00 O ATOM 640 CB THR A 46 -21.055 5.547 0.945 1.00 0.00 C ATOM 641 OG1 THR A 46 -21.459 6.230 2.120 1.00 0.00 O ATOM 642 CG2 THR A 46 -21.288 6.506 -0.221 1.00 0.00 C ATOM 0 H THR A 46 -23.230 4.455 2.213 1.00 0.00 H new ATOM 0 HA THR A 46 -21.719 4.013 -0.313 1.00 0.00 H new ATOM 0 HB THR A 46 -20.003 5.269 1.010 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.958 7.069 2.199 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.742 7.433 -0.045 1.00 0.00 H new ATOM 0 HG22 THR A 46 -20.936 6.048 -1.145 1.00 0.00 H new ATOM 0 HG23 THR A 46 -22.353 6.723 -0.306 1.00 0.00 H new ATOM 650 N LYS A 47 -20.184 2.416 1.039 1.00 0.00 N ATOM 651 CA LYS A 47 -19.402 1.392 1.730 1.00 0.00 C ATOM 652 C LYS A 47 -17.938 1.633 1.401 1.00 0.00 C ATOM 653 O LYS A 47 -17.606 1.656 0.212 1.00 0.00 O ATOM 654 CB LYS A 47 -19.824 -0.031 1.316 1.00 0.00 C ATOM 655 CG LYS A 47 -19.315 -1.082 2.324 1.00 0.00 C ATOM 656 CD LYS A 47 -19.228 -2.508 1.753 1.00 0.00 C ATOM 657 CE LYS A 47 -17.909 -2.748 0.986 1.00 0.00 C ATOM 658 NZ LYS A 47 -17.077 -3.794 1.619 1.00 0.00 N ATOM 0 H LYS A 47 -19.856 2.599 0.090 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.575 1.464 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -20.911 -0.085 1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -19.431 -0.255 0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -18.328 -0.783 2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -19.976 -1.089 3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.310 -3.229 2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -20.072 -2.683 1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.135 -3.038 -0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.344 -1.817 0.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.210 -3.933 1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.824 -3.500 2.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -17.611 -4.686 1.658 1.00 0.00 H new ATOM 672 N ALA A 48 -17.091 1.801 2.412 1.00 0.00 N ATOM 673 CA ALA A 48 -15.651 1.810 2.227 1.00 0.00 C ATOM 674 C ALA A 48 -15.174 0.419 1.811 1.00 0.00 C ATOM 675 O ALA A 48 -15.846 -0.588 2.043 1.00 0.00 O ATOM 676 CB ALA A 48 -14.953 2.253 3.515 1.00 0.00 C ATOM 0 H ALA A 48 -17.387 1.934 3.379 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.398 2.519 1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.874 2.255 3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -15.284 3.257 3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -15.204 1.563 4.321 1.00 0.00 H new ATOM 682 N LEU A 49 -13.981 0.374 1.234 1.00 0.00 N ATOM 683 CA LEU A 49 -13.165 -0.819 1.091 1.00 0.00 C ATOM 684 C LEU A 49 -12.003 -0.694 2.088 1.00 0.00 C ATOM 685 O LEU A 49 -12.099 0.059 3.062 1.00 0.00 O ATOM 686 CB LEU A 49 -12.743 -0.957 -0.386 1.00 0.00 C ATOM 687 CG LEU A 49 -13.835 -1.407 -1.382 1.00 0.00 C ATOM 688 CD1 LEU A 49 -14.669 -2.591 -0.905 1.00 0.00 C ATOM 689 CD2 LEU A 49 -14.782 -0.297 -1.869 1.00 0.00 C ATOM 0 H LEU A 49 -13.539 1.203 0.837 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.696 -1.741 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.354 0.005 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.920 -1.669 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.230 -1.721 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -15.411 -2.842 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.019 -3.449 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.174 -2.329 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.510 -0.718 -2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.303 0.137 -1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.205 0.478 -2.374 1.00 0.00 H new ATOM 701 N SER A 50 -10.914 -1.421 1.866 1.00 0.00 N ATOM 702 CA SER A 50 -9.636 -1.297 2.558 1.00 0.00 C ATOM 703 C SER A 50 -8.522 -1.218 1.509 1.00 0.00 C ATOM 704 O SER A 50 -8.796 -1.344 0.308 1.00 0.00 O ATOM 705 CB SER A 50 -9.451 -2.499 3.487 1.00 0.00 C ATOM 706 OG SER A 50 -10.533 -2.605 4.391 1.00 0.00 O ATOM 0 H SER A 50 -10.898 -2.155 1.158 1.00 0.00 H new ATOM 0 HA SER A 50 -9.605 -0.394 3.167 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.373 -3.412 2.897 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.517 -2.397 4.040 1.00 0.00 H new ATOM 0 HG SER A 50 -10.397 -3.380 4.975 1.00 0.00 H new ATOM 712 N TRP A 51 -7.272 -0.997 1.924 1.00 0.00 N ATOM 713 CA TRP A 51 -6.134 -1.037 1.016 1.00 0.00 C ATOM 714 C TRP A 51 -4.850 -1.423 1.737 1.00 0.00 C ATOM 715 O TRP A 51 -4.821 -1.498 2.968 1.00 0.00 O ATOM 716 CB TRP A 51 -5.965 0.321 0.329 1.00 0.00 C ATOM 717 CG TRP A 51 -5.479 1.487 1.120 1.00 0.00 C ATOM 718 CD1 TRP A 51 -4.184 1.873 1.166 1.00 0.00 C ATOM 719 CD2 TRP A 51 -6.249 2.576 1.708 1.00 0.00 C ATOM 720 NE1 TRP A 51 -4.115 3.152 1.667 1.00 0.00 N ATOM 721 CE2 TRP A 51 -5.365 3.673 1.913 1.00 0.00 C ATOM 722 CE3 TRP A 51 -7.622 2.809 1.919 1.00 0.00 C ATOM 723 CZ2 TRP A 51 -5.831 4.960 2.220 1.00 0.00 C ATOM 724 CZ3 TRP A 51 -8.090 4.082 2.299 1.00 0.00 C ATOM 725 CH2 TRP A 51 -7.200 5.156 2.428 1.00 0.00 C ATOM 0 H TRP A 51 -7.026 -0.787 2.892 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.334 -1.802 0.265 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -5.277 0.182 -0.505 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.930 0.594 -0.097 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.340 1.274 0.859 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -3.243 3.654 1.836 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -8.326 2.000 1.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.142 5.788 2.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -9.142 4.231 2.492 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.571 6.136 2.688 1.00 0.00 H new ATOM 736 N ASN A 52 -3.780 -1.619 0.963 1.00 0.00 N ATOM 737 CA ASN A 52 -2.423 -1.831 1.449 1.00 0.00 C ATOM 738 C ASN A 52 -1.424 -1.155 0.514 1.00 0.00 C ATOM 739 O ASN A 52 -1.812 -0.616 -0.529 1.00 0.00 O ATOM 740 CB ASN A 52 -2.137 -3.331 1.610 1.00 0.00 C ATOM 741 CG ASN A 52 -2.208 -3.689 3.081 1.00 0.00 C ATOM 742 OD1 ASN A 52 -1.233 -3.527 3.806 1.00 0.00 O ATOM 743 ND2 ASN A 52 -3.340 -4.169 3.555 1.00 0.00 N ATOM 0 H ASN A 52 -3.842 -1.634 -0.055 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.317 -1.376 2.434 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.862 -3.916 1.044 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.152 -3.572 1.210 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.417 -4.413 4.542 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.140 -4.296 2.935 1.00 0.00 H new ATOM 750 N ALA A 53 -0.154 -1.142 0.925 1.00 0.00 N ATOM 751 CA ALA A 53 0.958 -0.484 0.259 1.00 0.00 C ATOM 752 C ALA A 53 2.264 -1.158 0.681 1.00 0.00 C ATOM 753 O ALA A 53 2.308 -1.738 1.773 1.00 0.00 O ATOM 754 CB ALA A 53 0.997 0.967 0.729 1.00 0.00 C ATOM 0 H ALA A 53 0.136 -1.618 1.779 1.00 0.00 H new ATOM 0 HA ALA A 53 0.839 -0.544 -0.823 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.824 1.485 0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.059 1.459 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.135 0.996 1.810 1.00 0.00 H new ATOM 760 N SER A 54 3.331 -1.003 -0.108 1.00 0.00 N ATOM 761 CA SER A 54 4.642 -1.604 0.169 1.00 0.00 C ATOM 762 C SER A 54 5.658 -1.262 -0.928 1.00 0.00 C ATOM 763 O SER A 54 5.288 -0.899 -2.054 1.00 0.00 O ATOM 764 CB SER A 54 4.527 -3.134 0.328 1.00 0.00 C ATOM 765 OG SER A 54 3.898 -3.734 -0.789 1.00 0.00 O ATOM 0 H SER A 54 3.310 -0.452 -0.966 1.00 0.00 H new ATOM 0 HA SER A 54 5.000 -1.182 1.108 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.521 -3.561 0.458 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.961 -3.364 1.231 1.00 0.00 H new ATOM 0 HG SER A 54 3.845 -4.703 -0.653 1.00 0.00 H new ATOM 771 N GLY A 55 6.949 -1.403 -0.621 1.00 0.00 N ATOM 772 CA GLY A 55 8.035 -1.102 -1.540 1.00 0.00 C ATOM 773 C GLY A 55 9.359 -1.178 -0.798 1.00 0.00 C ATOM 774 O GLY A 55 10.066 -2.177 -0.888 1.00 0.00 O ATOM 0 H GLY A 55 7.268 -1.735 0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.030 -1.808 -2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.901 -0.108 -1.966 1.00 0.00 H new ATOM 778 N ASP A 56 9.654 -0.127 -0.038 1.00 0.00 N ATOM 779 CA ASP A 56 10.958 0.134 0.586 1.00 0.00 C ATOM 780 C ASP A 56 10.927 -0.215 2.088 1.00 0.00 C ATOM 781 O ASP A 56 10.031 -0.948 2.521 1.00 0.00 O ATOM 782 CB ASP A 56 11.344 1.601 0.312 1.00 0.00 C ATOM 783 CG ASP A 56 12.838 1.749 0.059 1.00 0.00 C ATOM 784 OD1 ASP A 56 13.646 1.141 0.796 1.00 0.00 O ATOM 785 OD2 ASP A 56 13.232 2.540 -0.825 1.00 0.00 O ATOM 0 H ASP A 56 8.967 0.598 0.171 1.00 0.00 H new ATOM 0 HA ASP A 56 11.726 -0.506 0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.790 1.968 -0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.055 2.219 1.162 1.00 0.00 H new ATOM 790 N SER A 57 11.854 0.296 2.910 1.00 0.00 N ATOM 791 CA SER A 57 11.907 0.067 4.368 1.00 0.00 C ATOM 792 C SER A 57 11.903 1.348 5.222 1.00 0.00 C ATOM 793 O SER A 57 12.274 1.297 6.393 1.00 0.00 O ATOM 794 CB SER A 57 13.111 -0.822 4.694 1.00 0.00 C ATOM 795 OG SER A 57 14.332 -0.138 4.489 1.00 0.00 O ATOM 0 H SER A 57 12.608 0.895 2.575 1.00 0.00 H new ATOM 0 HA SER A 57 10.980 -0.437 4.640 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.049 -1.155 5.730 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.084 -1.715 4.070 1.00 0.00 H new ATOM 0 HG SER A 57 15.080 -0.732 4.707 1.00 0.00 H new ATOM 801 N TRP A 58 11.560 2.498 4.640 1.00 0.00 N ATOM 802 CA TRP A 58 11.553 3.803 5.308 1.00 0.00 C ATOM 803 C TRP A 58 10.260 4.565 5.010 1.00 0.00 C ATOM 804 O TRP A 58 10.261 5.793 4.906 1.00 0.00 O ATOM 805 CB TRP A 58 12.800 4.588 4.883 1.00 0.00 C ATOM 806 CG TRP A 58 13.023 4.756 3.404 1.00 0.00 C ATOM 807 CD1 TRP A 58 13.548 3.808 2.601 1.00 0.00 C ATOM 808 CD2 TRP A 58 12.737 5.898 2.528 1.00 0.00 C ATOM 809 NE1 TRP A 58 13.686 4.306 1.325 1.00 0.00 N ATOM 810 CE2 TRP A 58 13.210 5.588 1.219 1.00 0.00 C ATOM 811 CE3 TRP A 58 12.112 7.154 2.676 1.00 0.00 C ATOM 812 CZ2 TRP A 58 13.133 6.483 0.143 1.00 0.00 C ATOM 813 CZ3 TRP A 58 12.000 8.054 1.598 1.00 0.00 C ATOM 814 CH2 TRP A 58 12.538 7.739 0.339 1.00 0.00 C ATOM 0 H TRP A 58 11.271 2.550 3.663 1.00 0.00 H new ATOM 0 HA TRP A 58 11.585 3.664 6.389 1.00 0.00 H new ATOM 0 HB2 TRP A 58 12.748 5.579 5.334 1.00 0.00 H new ATOM 0 HB3 TRP A 58 13.674 4.092 5.304 1.00 0.00 H new ATOM 0 HD1 TRP A 58 13.819 2.810 2.912 1.00 0.00 H new ATOM 0 HE1 TRP A 58 14.094 3.783 0.550 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.710 7.432 3.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.527 6.210 -0.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 11.494 8.998 1.741 1.00 0.00 H new ATOM 0 HH2 TRP A 58 12.494 8.455 -0.468 1.00 0.00 H new ATOM 825 N ILE A 59 9.173 3.835 4.755 1.00 0.00 N ATOM 826 CA ILE A 59 7.921 4.401 4.287 1.00 0.00 C ATOM 827 C ILE A 59 6.810 3.735 5.097 1.00 0.00 C ATOM 828 O ILE A 59 6.214 2.736 4.674 1.00 0.00 O ATOM 829 CB ILE A 59 7.813 4.265 2.750 1.00 0.00 C ATOM 830 CG1 ILE A 59 8.991 4.988 2.045 1.00 0.00 C ATOM 831 CG2 ILE A 59 6.478 4.872 2.299 1.00 0.00 C ATOM 832 CD1 ILE A 59 9.060 4.813 0.531 1.00 0.00 C ATOM 0 H ILE A 59 9.144 2.822 4.871 1.00 0.00 H new ATOM 0 HA ILE A 59 7.844 5.476 4.453 1.00 0.00 H new ATOM 0 HB ILE A 59 7.859 3.211 2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.925 6.053 2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.925 4.629 2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.386 4.784 1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.656 4.340 2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.443 5.924 2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.919 5.359 0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.163 3.755 0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.148 5.201 0.078 1.00 0.00 H new ATOM 844 N HIS A 60 6.554 4.293 6.278 1.00 0.00 N ATOM 845 CA HIS A 60 5.433 3.912 7.126 1.00 0.00 C ATOM 846 C HIS A 60 4.154 4.159 6.333 1.00 0.00 C ATOM 847 O HIS A 60 3.892 5.288 5.913 1.00 0.00 O ATOM 848 CB HIS A 60 5.331 4.785 8.381 1.00 0.00 C ATOM 849 CG HIS A 60 6.309 4.564 9.504 1.00 0.00 C ATOM 850 ND1 HIS A 60 6.270 3.553 10.434 1.00 0.00 N ATOM 851 CD2 HIS A 60 7.280 5.439 9.899 1.00 0.00 C ATOM 852 CE1 HIS A 60 7.221 3.791 11.350 1.00 0.00 C ATOM 853 NE2 HIS A 60 7.846 4.942 11.077 1.00 0.00 N ATOM 0 H HIS A 60 7.130 5.034 6.677 1.00 0.00 H new ATOM 0 HA HIS A 60 5.575 2.873 7.422 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.420 5.825 8.067 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.328 4.660 8.789 1.00 0.00 H new ATOM 0 HD2 HIS A 60 7.560 6.351 9.393 1.00 0.00 H new ATOM 0 HE1 HIS A 60 7.449 3.147 12.186 1.00 0.00 H new ATOM 0 HE2 HIS A 60 8.592 5.374 11.623 1.00 0.00 H new ATOM 861 N VAL A 61 3.305 3.154 6.183 1.00 0.00 N ATOM 862 CA VAL A 61 1.930 3.366 5.758 1.00 0.00 C ATOM 863 C VAL A 61 1.056 2.854 6.900 1.00 0.00 C ATOM 864 O VAL A 61 1.444 1.925 7.616 1.00 0.00 O ATOM 865 CB VAL A 61 1.682 2.661 4.402 1.00 0.00 C ATOM 866 CG1 VAL A 61 0.367 3.154 3.784 1.00 0.00 C ATOM 867 CG2 VAL A 61 2.838 2.895 3.412 1.00 0.00 C ATOM 0 H VAL A 61 3.546 2.177 6.351 1.00 0.00 H new ATOM 0 HA VAL A 61 1.692 4.414 5.574 1.00 0.00 H new ATOM 0 HB VAL A 61 1.620 1.591 4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.202 2.652 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.459 2.930 4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.422 4.231 3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.623 2.383 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.947 3.963 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.764 2.504 3.835 1.00 0.00 H new ATOM 877 N ASN A 62 -0.144 3.393 7.067 1.00 0.00 N ATOM 878 CA ASN A 62 -1.214 2.740 7.810 1.00 0.00 C ATOM 879 C ASN A 62 -2.490 2.865 6.999 1.00 0.00 C ATOM 880 O ASN A 62 -2.484 3.541 5.964 1.00 0.00 O ATOM 881 CB ASN A 62 -1.343 3.328 9.222 1.00 0.00 C ATOM 882 CG ASN A 62 -1.079 2.240 10.246 1.00 0.00 C ATOM 883 OD1 ASN A 62 -1.991 1.698 10.860 1.00 0.00 O ATOM 884 ND2 ASN A 62 0.163 1.821 10.384 1.00 0.00 N ATOM 0 H ASN A 62 -0.405 4.303 6.688 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.993 1.682 7.954 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.635 4.146 9.353 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.340 3.744 9.365 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.372 1.040 11.006 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.916 2.278 9.869 1.00 0.00 H new ATOM 891 N GLY A 63 -3.567 2.210 7.440 1.00 0.00 N ATOM 892 CA GLY A 63 -4.826 2.146 6.709 1.00 0.00 C ATOM 893 C GLY A 63 -5.236 3.524 6.199 1.00 0.00 C ATOM 894 O GLY A 63 -5.410 3.698 4.998 1.00 0.00 O ATOM 0 H GLY A 63 -3.585 1.705 8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.728 1.458 5.869 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.607 1.748 7.357 1.00 0.00 H new ATOM 898 N SER A 64 -5.248 4.526 7.078 1.00 0.00 N ATOM 899 CA SER A 64 -5.588 5.902 6.740 1.00 0.00 C ATOM 900 C SER A 64 -4.480 6.871 7.179 1.00 0.00 C ATOM 901 O SER A 64 -4.783 7.929 7.728 1.00 0.00 O ATOM 902 CB SER A 64 -6.936 6.232 7.387 1.00 0.00 C ATOM 903 OG SER A 64 -7.961 5.371 6.921 1.00 0.00 O ATOM 0 H SER A 64 -5.017 4.398 8.063 1.00 0.00 H new ATOM 0 HA SER A 64 -5.673 6.015 5.659 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.852 6.146 8.470 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.202 7.267 7.169 1.00 0.00 H new ATOM 0 HG SER A 64 -8.808 5.606 7.354 1.00 0.00 H new ATOM 909 N SER A 65 -3.204 6.518 7.002 1.00 0.00 N ATOM 910 CA SER A 65 -2.073 7.337 7.438 1.00 0.00 C ATOM 911 C SER A 65 -0.907 7.212 6.457 1.00 0.00 C ATOM 912 O SER A 65 -0.833 6.268 5.657 1.00 0.00 O ATOM 913 CB SER A 65 -1.638 6.889 8.840 1.00 0.00 C ATOM 914 OG SER A 65 -1.830 7.889 9.820 1.00 0.00 O ATOM 0 H SER A 65 -2.926 5.648 6.548 1.00 0.00 H new ATOM 0 HA SER A 65 -2.379 8.383 7.467 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.199 5.998 9.122 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.585 6.608 8.816 1.00 0.00 H new ATOM 0 HG SER A 65 -1.539 7.552 10.693 1.00 0.00 H new ATOM 920 N VAL A 66 0.028 8.155 6.549 1.00 0.00 N ATOM 921 CA VAL A 66 1.229 8.227 5.739 1.00 0.00 C ATOM 922 C VAL A 66 2.370 8.707 6.642 1.00 0.00 C ATOM 923 O VAL A 66 2.175 9.522 7.550 1.00 0.00 O ATOM 924 CB VAL A 66 0.934 9.130 4.516 1.00 0.00 C ATOM 925 CG1 VAL A 66 0.455 10.540 4.869 1.00 0.00 C ATOM 926 CG2 VAL A 66 2.113 9.229 3.555 1.00 0.00 C ATOM 0 H VAL A 66 -0.039 8.920 7.221 1.00 0.00 H new ATOM 0 HA VAL A 66 1.540 7.265 5.332 1.00 0.00 H new ATOM 0 HB VAL A 66 0.108 8.619 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.273 11.102 3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.468 10.477 5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.218 11.046 5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.847 9.875 2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.974 9.647 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.363 8.236 3.182 1.00 0.00 H new ATOM 936 N SER A 67 3.579 8.188 6.454 1.00 0.00 N ATOM 937 CA SER A 67 4.790 8.799 6.987 1.00 0.00 C ATOM 938 C SER A 67 5.979 8.359 6.147 1.00 0.00 C ATOM 939 O SER A 67 5.866 7.419 5.354 1.00 0.00 O ATOM 940 CB SER A 67 5.034 8.436 8.464 1.00 0.00 C ATOM 941 OG SER A 67 3.877 7.935 9.123 1.00 0.00 O ATOM 0 H SER A 67 3.746 7.331 5.927 1.00 0.00 H new ATOM 0 HA SER A 67 4.665 9.881 6.940 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.827 7.690 8.521 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.390 9.320 8.993 1.00 0.00 H new ATOM 0 HG SER A 67 4.097 7.722 10.054 1.00 0.00 H new ATOM 947 N TYR A 68 7.122 9.002 6.346 1.00 0.00 N ATOM 948 CA TYR A 68 8.373 8.577 5.740 1.00 0.00 C ATOM 949 C TYR A 68 9.447 8.910 6.763 1.00 0.00 C ATOM 950 O TYR A 68 9.285 9.855 7.546 1.00 0.00 O ATOM 951 CB TYR A 68 8.649 9.336 4.425 1.00 0.00 C ATOM 952 CG TYR A 68 7.420 9.906 3.740 1.00 0.00 C ATOM 953 CD1 TYR A 68 6.561 9.099 2.972 1.00 0.00 C ATOM 954 CD2 TYR A 68 7.100 11.258 3.956 1.00 0.00 C ATOM 955 CE1 TYR A 68 5.393 9.638 2.404 1.00 0.00 C ATOM 956 CE2 TYR A 68 5.960 11.814 3.359 1.00 0.00 C ATOM 957 CZ TYR A 68 5.102 11.009 2.581 1.00 0.00 C ATOM 958 OH TYR A 68 4.002 11.569 2.016 1.00 0.00 O ATOM 0 H TYR A 68 7.206 9.832 6.932 1.00 0.00 H new ATOM 0 HA TYR A 68 8.347 7.517 5.489 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.341 10.152 4.633 1.00 0.00 H new ATOM 0 HB3 TYR A 68 9.151 8.661 3.732 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.800 8.057 2.817 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.733 11.869 4.583 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.723 9.009 1.837 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.738 12.862 3.495 1.00 0.00 H new ATOM 0 HH TYR A 68 3.648 12.264 2.609 1.00 0.00 H new ATOM 968 N ASP A 69 10.556 8.186 6.720 1.00 0.00 N ATOM 969 CA ASP A 69 11.703 8.452 7.576 1.00 0.00 C ATOM 970 C ASP A 69 12.891 8.864 6.737 1.00 0.00 C ATOM 971 O ASP A 69 13.018 8.456 5.577 1.00 0.00 O ATOM 972 CB ASP A 69 12.024 7.231 8.443 1.00 0.00 C ATOM 973 CG ASP A 69 11.176 7.290 9.702 1.00 0.00 C ATOM 974 OD1 ASP A 69 9.962 7.001 9.617 1.00 0.00 O ATOM 975 OD2 ASP A 69 11.706 7.711 10.755 1.00 0.00 O ATOM 0 H ASP A 69 10.686 7.395 6.089 1.00 0.00 H new ATOM 0 HA ASP A 69 11.461 9.276 8.248 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.820 6.313 7.893 1.00 0.00 H new ATOM 0 HB3 ASP A 69 13.083 7.219 8.701 1.00 0.00 H new ATOM 980 N GLU A 70 13.770 9.674 7.324 1.00 0.00 N ATOM 981 CA GLU A 70 15.004 10.087 6.680 1.00 0.00 C ATOM 982 C GLU A 70 16.009 8.947 6.614 1.00 0.00 C ATOM 983 O GLU A 70 15.804 7.865 7.169 1.00 0.00 O ATOM 984 CB GLU A 70 15.607 11.307 7.377 1.00 0.00 C ATOM 985 CG GLU A 70 15.116 12.567 6.680 1.00 0.00 C ATOM 986 CD GLU A 70 15.948 13.780 7.050 1.00 0.00 C ATOM 987 OE1 GLU A 70 16.038 14.100 8.257 1.00 0.00 O ATOM 988 OE2 GLU A 70 16.516 14.356 6.095 1.00 0.00 O ATOM 0 H GLU A 70 13.642 10.060 8.260 1.00 0.00 H new ATOM 0 HA GLU A 70 14.759 10.369 5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.319 11.321 8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.695 11.259 7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.148 12.420 5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.074 12.747 6.946 1.00 0.00 H new ATOM 995 N ASN A 71 17.078 9.173 5.858 1.00 0.00 N ATOM 996 CA ASN A 71 18.137 8.198 5.607 1.00 0.00 C ATOM 997 C ASN A 71 19.441 8.635 6.284 1.00 0.00 C ATOM 998 O ASN A 71 19.633 9.828 6.521 1.00 0.00 O ATOM 999 CB ASN A 71 18.287 7.924 4.101 1.00 0.00 C ATOM 1000 CG ASN A 71 19.461 8.653 3.469 1.00 0.00 C ATOM 1001 OD1 ASN A 71 20.537 8.084 3.313 1.00 0.00 O ATOM 1002 ND2 ASN A 71 19.268 9.893 3.070 1.00 0.00 N ATOM 0 H ASN A 71 17.238 10.065 5.389 1.00 0.00 H new ATOM 0 HA ASN A 71 17.862 7.244 6.057 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.408 6.852 3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 71 17.369 8.219 3.592 1.00 0.00 H new ATOM 0 HD21 ASN A 71 20.024 10.407 2.618 1.00 0.00 H new ATOM 0 HD22 ASN A 71 18.362 10.340 3.213 1.00 0.00 H new ATOM 1009 N PRO A 72 20.331 7.686 6.621 1.00 0.00 N ATOM 1010 CA PRO A 72 21.460 7.937 7.510 1.00 0.00 C ATOM 1011 C PRO A 72 22.687 8.524 6.790 1.00 0.00 C ATOM 1012 O PRO A 72 23.686 8.822 7.450 1.00 0.00 O ATOM 1013 CB PRO A 72 21.781 6.558 8.098 1.00 0.00 C ATOM 1014 CG PRO A 72 21.495 5.639 6.912 1.00 0.00 C ATOM 1015 CD PRO A 72 20.243 6.265 6.310 1.00 0.00 C ATOM 0 HA PRO A 72 21.208 8.685 8.262 1.00 0.00 H new ATOM 0 HB2 PRO A 72 22.817 6.486 8.431 1.00 0.00 H new ATOM 0 HB3 PRO A 72 21.153 6.324 8.958 1.00 0.00 H new ATOM 0 HG2 PRO A 72 22.322 5.622 6.202 1.00 0.00 H new ATOM 0 HG3 PRO A 72 21.324 4.610 7.227 1.00 0.00 H new ATOM 0 HD2 PRO A 72 20.201 6.101 5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 72 19.341 5.825 6.735 1.00 0.00 H new ATOM 1023 N ALA A 73 22.656 8.635 5.459 1.00 0.00 N ATOM 1024 CA ALA A 73 23.748 9.178 4.663 1.00 0.00 C ATOM 1025 C ALA A 73 23.298 10.460 3.966 1.00 0.00 C ATOM 1026 O ALA A 73 22.111 10.759 3.856 1.00 0.00 O ATOM 1027 CB ALA A 73 24.212 8.123 3.653 1.00 0.00 C ATOM 0 H ALA A 73 21.855 8.343 4.899 1.00 0.00 H new ATOM 0 HA ALA A 73 24.590 9.430 5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 73 25.030 8.526 3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 73 24.555 7.236 4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 73 23.382 7.856 2.999 1.00 0.00 H new ATOM 1033 N LYS A 74 24.249 11.218 3.414 1.00 0.00 N ATOM 1034 CA LYS A 74 23.984 12.493 2.746 1.00 0.00 C ATOM 1035 C LYS A 74 23.405 12.295 1.347 1.00 0.00 C ATOM 1036 O LYS A 74 23.146 13.282 0.649 1.00 0.00 O ATOM 1037 CB LYS A 74 25.286 13.329 2.731 1.00 0.00 C ATOM 1038 CG LYS A 74 25.763 13.662 4.163 1.00 0.00 C ATOM 1039 CD LYS A 74 24.819 14.592 4.907 1.00 0.00 C ATOM 1040 CE LYS A 74 24.930 15.959 4.292 1.00 0.00 C ATOM 1041 NZ LYS A 74 24.148 16.995 5.007 1.00 0.00 N ATOM 0 H LYS A 74 25.236 10.960 3.419 1.00 0.00 H new ATOM 0 HA LYS A 74 23.222 13.039 3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 74 26.067 12.779 2.205 1.00 0.00 H new ATOM 0 HB3 LYS A 74 25.120 14.253 2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 74 25.870 12.736 4.728 1.00 0.00 H new ATOM 0 HG3 LYS A 74 26.750 14.121 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 74 23.794 14.227 4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 74 25.076 14.629 5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 74 25.979 16.256 4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 74 24.593 15.911 3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.269 17.912 4.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 23.141 16.734 5.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 24.484 17.068 5.989 1.00 0.00 H new ATOM 1055 N GLU A 75 23.214 11.040 0.940 1.00 0.00 N ATOM 1056 CA GLU A 75 22.610 10.678 -0.329 1.00 0.00 C ATOM 1057 C GLU A 75 21.206 11.256 -0.389 1.00 0.00 C ATOM 1058 O GLU A 75 20.483 11.254 0.609 1.00 0.00 O ATOM 1059 CB GLU A 75 22.500 9.155 -0.492 1.00 0.00 C ATOM 1060 CG GLU A 75 23.868 8.471 -0.508 1.00 0.00 C ATOM 1061 CD GLU A 75 23.774 6.942 -0.585 1.00 0.00 C ATOM 1062 OE1 GLU A 75 22.879 6.309 0.014 1.00 0.00 O ATOM 1063 OE2 GLU A 75 24.696 6.329 -1.179 1.00 0.00 O ATOM 0 H GLU A 75 23.484 10.232 1.502 1.00 0.00 H new ATOM 0 HA GLU A 75 23.242 11.073 -1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 75 21.902 8.747 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 75 21.972 8.928 -1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 75 24.441 8.837 -1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 75 24.418 8.751 0.390 1.00 0.00 H new ATOM 1070 N ARG A 76 20.797 11.685 -1.577 1.00 0.00 N ATOM 1071 CA ARG A 76 19.386 11.889 -1.862 1.00 0.00 C ATOM 1072 C ARG A 76 18.775 10.517 -2.105 1.00 0.00 C ATOM 1073 O ARG A 76 19.372 9.706 -2.819 1.00 0.00 O ATOM 1074 CB ARG A 76 19.230 12.810 -3.077 1.00 0.00 C ATOM 1075 CG ARG A 76 17.792 13.327 -3.199 1.00 0.00 C ATOM 1076 CD ARG A 76 17.593 14.344 -4.317 1.00 0.00 C ATOM 1077 NE ARG A 76 18.492 15.483 -4.127 1.00 0.00 N ATOM 1078 CZ ARG A 76 18.352 16.506 -3.284 1.00 0.00 C ATOM 1079 NH1 ARG A 76 17.176 16.798 -2.741 1.00 0.00 N ATOM 1080 NH2 ARG A 76 19.430 17.215 -2.974 1.00 0.00 N ATOM 0 H ARG A 76 21.422 11.897 -2.355 1.00 0.00 H new ATOM 0 HA ARG A 76 18.873 12.373 -1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 76 19.916 13.652 -2.989 1.00 0.00 H new ATOM 0 HB3 ARG A 76 19.503 12.270 -3.984 1.00 0.00 H new ATOM 0 HG2 ARG A 76 17.126 12.481 -3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 76 17.498 13.780 -2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.785 13.876 -5.283 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.558 14.686 -4.328 1.00 0.00 H new ATOM 0 HE ARG A 76 19.328 15.496 -4.711 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.356 16.235 -2.966 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.092 17.586 -2.098 1.00 0.00 H new ATOM 0 HH21 ARG A 76 20.334 16.971 -3.378 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.354 18.004 -2.332 1.00 0.00 H new ATOM 1094 N ARG A 77 17.595 10.268 -1.547 1.00 0.00 N ATOM 1095 CA ARG A 77 16.911 8.986 -1.604 1.00 0.00 C ATOM 1096 C ARG A 77 15.544 9.183 -2.233 1.00 0.00 C ATOM 1097 O ARG A 77 14.807 10.103 -1.866 1.00 0.00 O ATOM 1098 CB ARG A 77 16.819 8.382 -0.188 1.00 0.00 C ATOM 1099 CG ARG A 77 18.122 7.698 0.264 1.00 0.00 C ATOM 1100 CD ARG A 77 18.331 6.397 -0.517 1.00 0.00 C ATOM 1101 NE ARG A 77 19.487 5.608 -0.065 1.00 0.00 N ATOM 1102 CZ ARG A 77 19.690 4.336 -0.435 1.00 0.00 C ATOM 1103 NH1 ARG A 77 18.873 3.748 -1.307 1.00 0.00 N ATOM 1104 NH2 ARG A 77 20.700 3.643 0.072 1.00 0.00 N ATOM 0 H ARG A 77 17.075 10.975 -1.028 1.00 0.00 H new ATOM 0 HA ARG A 77 17.468 8.281 -2.221 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.565 9.170 0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.007 7.656 -0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 77 18.968 8.367 0.104 1.00 0.00 H new ATOM 0 HG3 ARG A 77 18.080 7.487 1.333 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.432 5.786 -0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 77 18.457 6.635 -1.573 1.00 0.00 H new ATOM 0 HE ARG A 77 20.164 6.048 0.558 1.00 0.00 H new ATOM 0 HH11 ARG A 77 18.086 4.266 -1.698 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.034 2.780 -1.584 1.00 0.00 H new ATOM 0 HH21 ARG A 77 21.328 4.078 0.748 1.00 0.00 H new ATOM 0 HH22 ARG A 77 20.849 2.675 -0.214 1.00 0.00 H new ATOM 1118 N THR A 78 15.212 8.294 -3.164 1.00 0.00 N ATOM 1119 CA THR A 78 14.000 8.342 -3.955 1.00 0.00 C ATOM 1120 C THR A 78 13.247 7.031 -3.745 1.00 0.00 C ATOM 1121 O THR A 78 13.656 5.984 -4.252 1.00 0.00 O ATOM 1122 CB THR A 78 14.369 8.656 -5.412 1.00 0.00 C ATOM 1123 OG1 THR A 78 14.785 10.009 -5.470 1.00 0.00 O ATOM 1124 CG2 THR A 78 13.188 8.480 -6.370 1.00 0.00 C ATOM 0 H THR A 78 15.804 7.495 -3.392 1.00 0.00 H new ATOM 0 HA THR A 78 13.323 9.139 -3.648 1.00 0.00 H new ATOM 0 HB THR A 78 15.152 7.963 -5.720 1.00 0.00 H new ATOM 0 HG1 THR A 78 15.029 10.237 -6.391 1.00 0.00 H new ATOM 0 HG21 THR A 78 13.505 8.715 -7.386 1.00 0.00 H new ATOM 0 HG22 THR A 78 12.837 7.449 -6.329 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.380 9.150 -6.078 1.00 0.00 H new ATOM 1132 N GLY A 79 12.164 7.078 -2.970 1.00 0.00 N ATOM 1133 CA GLY A 79 11.338 5.909 -2.686 1.00 0.00 C ATOM 1134 C GLY A 79 10.416 5.615 -3.864 1.00 0.00 C ATOM 1135 O GLY A 79 10.263 6.460 -4.755 1.00 0.00 O ATOM 0 H GLY A 79 11.835 7.932 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.973 5.046 -2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.747 6.083 -1.787 1.00 0.00 H new ATOM 1139 N LEU A 80 9.787 4.433 -3.871 1.00 0.00 N ATOM 1140 CA LEU A 80 8.815 4.092 -4.910 1.00 0.00 C ATOM 1141 C LEU A 80 7.808 3.026 -4.467 1.00 0.00 C ATOM 1142 O LEU A 80 7.698 1.948 -5.063 1.00 0.00 O ATOM 1143 CB LEU A 80 9.544 3.661 -6.186 1.00 0.00 C ATOM 1144 CG LEU A 80 8.638 3.906 -7.399 1.00 0.00 C ATOM 1145 CD1 LEU A 80 8.500 5.413 -7.695 1.00 0.00 C ATOM 1146 CD2 LEU A 80 9.236 3.192 -8.614 1.00 0.00 C ATOM 0 H LEU A 80 9.934 3.704 -3.173 1.00 0.00 H new ATOM 0 HA LEU A 80 8.232 4.991 -5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.473 4.221 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.812 2.606 -6.126 1.00 0.00 H new ATOM 0 HG LEU A 80 7.644 3.515 -7.182 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.852 5.556 -8.560 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.067 5.916 -6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.483 5.834 -7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.600 3.359 -9.483 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.233 3.585 -8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.301 2.123 -8.412 1.00 0.00 H new ATOM 1158 N VAL A 81 7.053 3.321 -3.417 1.00 0.00 N ATOM 1159 CA VAL A 81 6.007 2.413 -2.958 1.00 0.00 C ATOM 1160 C VAL A 81 4.832 2.440 -3.939 1.00 0.00 C ATOM 1161 O VAL A 81 4.541 3.478 -4.542 1.00 0.00 O ATOM 1162 CB VAL A 81 5.632 2.744 -1.490 1.00 0.00 C ATOM 1163 CG1 VAL A 81 4.318 2.170 -0.962 1.00 0.00 C ATOM 1164 CG2 VAL A 81 6.763 2.292 -0.557 1.00 0.00 C ATOM 0 H VAL A 81 7.143 4.176 -2.869 1.00 0.00 H new ATOM 0 HA VAL A 81 6.360 1.382 -2.947 1.00 0.00 H new ATOM 0 HB VAL A 81 5.487 3.824 -1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.177 2.477 0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.490 2.541 -1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.348 1.082 -1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.499 2.525 0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.912 1.217 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.683 2.812 -0.822 1.00 0.00 H new ATOM 1174 N THR A 82 4.146 1.303 -4.067 1.00 0.00 N ATOM 1175 CA THR A 82 2.873 1.203 -4.781 1.00 0.00 C ATOM 1176 C THR A 82 1.756 0.891 -3.781 1.00 0.00 C ATOM 1177 O THR A 82 2.024 0.563 -2.622 1.00 0.00 O ATOM 1178 CB THR A 82 2.919 0.110 -5.861 1.00 0.00 C ATOM 1179 OG1 THR A 82 4.213 -0.107 -6.387 1.00 0.00 O ATOM 1180 CG2 THR A 82 1.948 0.408 -7.007 1.00 0.00 C ATOM 0 H THR A 82 4.462 0.417 -3.674 1.00 0.00 H new ATOM 0 HA THR A 82 2.681 2.156 -5.275 1.00 0.00 H new ATOM 0 HB THR A 82 2.613 -0.805 -5.353 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.176 -0.813 -7.066 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.009 -0.386 -7.751 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.932 0.464 -6.617 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.212 1.359 -7.469 1.00 0.00 H new ATOM 1188 N LEU A 83 0.502 0.957 -4.238 1.00 0.00 N ATOM 1189 CA LEU A 83 -0.695 0.610 -3.490 1.00 0.00 C ATOM 1190 C LEU A 83 -1.642 -0.203 -4.388 1.00 0.00 C ATOM 1191 O LEU A 83 -1.488 -0.170 -5.605 1.00 0.00 O ATOM 1192 CB LEU A 83 -1.373 1.898 -2.958 1.00 0.00 C ATOM 1193 CG LEU A 83 -0.457 2.798 -2.090 1.00 0.00 C ATOM 1194 CD1 LEU A 83 0.339 3.879 -2.832 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -1.210 3.493 -0.964 1.00 0.00 C ATOM 0 H LEU A 83 0.291 1.270 -5.186 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.433 -0.006 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.734 2.480 -3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.247 1.617 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 83 0.256 2.068 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.941 4.442 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.992 3.409 -3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.350 4.555 -3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.518 4.109 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.994 4.123 -1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.658 2.745 -0.310 1.00 0.00 H new ATOM 1207 N LYS A 84 -2.636 -0.896 -3.822 1.00 0.00 N ATOM 1208 CA LYS A 84 -3.837 -1.449 -4.490 1.00 0.00 C ATOM 1209 C LYS A 84 -4.971 -1.403 -3.461 1.00 0.00 C ATOM 1210 O LYS A 84 -4.711 -1.000 -2.329 1.00 0.00 O ATOM 1211 CB LYS A 84 -3.582 -2.878 -5.005 1.00 0.00 C ATOM 1212 CG LYS A 84 -4.513 -3.194 -6.188 1.00 0.00 C ATOM 1213 CD LYS A 84 -4.693 -4.683 -6.475 1.00 0.00 C ATOM 1214 CE LYS A 84 -5.707 -4.827 -7.616 1.00 0.00 C ATOM 1215 NZ LYS A 84 -6.048 -6.230 -7.909 1.00 0.00 N ATOM 0 H LYS A 84 -2.631 -1.103 -2.823 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.101 -0.863 -5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.542 -2.980 -5.315 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.747 -3.596 -4.202 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.491 -2.754 -5.991 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.120 -2.710 -7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.741 -5.135 -6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.046 -5.203 -5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.616 -4.284 -7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.303 -4.362 -8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.736 -6.265 -8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.188 -6.746 -8.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.461 -6.671 -7.062 1.00 0.00 H new ATOM 1229 N GLN A 85 -6.218 -1.705 -3.820 1.00 0.00 N ATOM 1230 CA GLN A 85 -7.404 -1.531 -2.986 1.00 0.00 C ATOM 1231 C GLN A 85 -8.123 -2.880 -2.937 1.00 0.00 C ATOM 1232 O GLN A 85 -7.856 -3.740 -3.769 1.00 0.00 O ATOM 1233 CB GLN A 85 -8.233 -0.374 -3.587 1.00 0.00 C ATOM 1234 CG GLN A 85 -9.338 0.235 -2.700 1.00 0.00 C ATOM 1235 CD GLN A 85 -9.663 1.670 -3.142 1.00 0.00 C ATOM 1236 OE1 GLN A 85 -8.833 2.558 -3.023 1.00 0.00 O ATOM 1237 NE2 GLN A 85 -10.824 1.956 -3.705 1.00 0.00 N ATOM 0 H GLN A 85 -6.437 -2.093 -4.737 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.188 -1.251 -1.955 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.546 0.424 -3.867 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.697 -0.732 -4.506 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.236 -0.380 -2.756 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.016 0.234 -1.659 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.531 1.229 -3.814 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.013 2.904 -4.031 1.00 0.00 H new ATOM 1246 N ASP A 86 -9.019 -3.069 -1.970 1.00 0.00 N ATOM 1247 CA ASP A 86 -9.557 -4.384 -1.605 1.00 0.00 C ATOM 1248 C ASP A 86 -10.198 -5.091 -2.803 1.00 0.00 C ATOM 1249 O ASP A 86 -9.745 -6.154 -3.224 1.00 0.00 O ATOM 1250 CB ASP A 86 -10.556 -4.207 -0.455 1.00 0.00 C ATOM 1251 CG ASP A 86 -10.886 -5.494 0.282 1.00 0.00 C ATOM 1252 OD1 ASP A 86 -9.955 -6.252 0.626 1.00 0.00 O ATOM 1253 OD2 ASP A 86 -12.066 -5.652 0.668 1.00 0.00 O ATOM 0 H ASP A 86 -9.398 -2.306 -1.409 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.738 -5.025 -1.278 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -10.151 -3.487 0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.478 -3.781 -0.851 1.00 0.00 H new ATOM 1258 N GLU A 87 -11.212 -4.458 -3.397 1.00 0.00 N ATOM 1259 CA GLU A 87 -11.897 -4.946 -4.594 1.00 0.00 C ATOM 1260 C GLU A 87 -11.397 -4.235 -5.858 1.00 0.00 C ATOM 1261 O GLU A 87 -11.476 -4.782 -6.957 1.00 0.00 O ATOM 1262 CB GLU A 87 -13.403 -4.693 -4.448 1.00 0.00 C ATOM 1263 CG GLU A 87 -14.052 -5.501 -3.311 1.00 0.00 C ATOM 1264 CD GLU A 87 -15.555 -5.222 -3.188 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -16.163 -4.760 -4.184 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -16.123 -5.485 -2.105 1.00 0.00 O ATOM 0 H GLU A 87 -11.587 -3.574 -3.052 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.689 -6.011 -4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.570 -3.631 -4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.898 -4.940 -5.387 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.895 -6.565 -3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.561 -5.259 -2.369 1.00 0.00 H new ATOM 1273 N SER A 88 -10.924 -2.995 -5.712 1.00 0.00 N ATOM 1274 CA SER A 88 -10.508 -2.139 -6.818 1.00 0.00 C ATOM 1275 C SER A 88 -8.975 -2.102 -6.968 1.00 0.00 C ATOM 1276 O SER A 88 -8.262 -2.919 -6.393 1.00 0.00 O ATOM 1277 CB SER A 88 -11.099 -0.756 -6.613 1.00 0.00 C ATOM 1278 OG SER A 88 -12.492 -0.918 -6.580 1.00 0.00 O ATOM 0 H SER A 88 -10.818 -2.551 -4.800 1.00 0.00 H new ATOM 0 HA SER A 88 -10.885 -2.549 -7.755 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.738 -0.314 -5.684 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.806 -0.085 -7.421 1.00 0.00 H new ATOM 0 HG SER A 88 -12.835 -0.625 -5.710 1.00 0.00 H new ATOM 1284 N GLY A 89 -8.435 -1.115 -7.680 1.00 0.00 N ATOM 1285 CA GLY A 89 -7.023 -0.935 -7.915 1.00 0.00 C ATOM 1286 C GLY A 89 -6.748 0.553 -7.972 1.00 0.00 C ATOM 1287 O GLY A 89 -6.374 1.076 -9.018 1.00 0.00 O ATOM 0 H GLY A 89 -9.003 -0.393 -8.124 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.441 -1.401 -7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.727 -1.414 -8.848 1.00 0.00 H new ATOM 1291 N LYS A 90 -6.897 1.254 -6.840 1.00 0.00 N ATOM 1292 CA LYS A 90 -6.121 2.471 -6.640 1.00 0.00 C ATOM 1293 C LYS A 90 -4.667 2.029 -6.620 1.00 0.00 C ATOM 1294 O LYS A 90 -4.173 1.606 -5.571 1.00 0.00 O ATOM 1295 CB LYS A 90 -6.450 3.203 -5.328 1.00 0.00 C ATOM 1296 CG LYS A 90 -7.485 4.315 -5.435 1.00 0.00 C ATOM 1297 CD LYS A 90 -7.169 5.582 -4.613 1.00 0.00 C ATOM 1298 CE LYS A 90 -6.732 5.378 -3.166 1.00 0.00 C ATOM 1299 NZ LYS A 90 -7.839 4.980 -2.278 1.00 0.00 N ATOM 0 H LYS A 90 -7.526 1.006 -6.077 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.350 3.180 -7.435 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.805 2.470 -4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.528 3.626 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.587 4.596 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.451 3.924 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.383 6.134 -5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.056 6.216 -4.613 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.954 4.615 -3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.289 6.301 -2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.544 5.086 -1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.665 5.585 -2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.091 3.987 -2.460 1.00 0.00 H new ATOM 1313 N THR A 91 -4.025 2.069 -7.776 1.00 0.00 N ATOM 1314 CA THR A 91 -2.590 1.988 -7.875 1.00 0.00 C ATOM 1315 C THR A 91 -2.131 3.425 -7.945 1.00 0.00 C ATOM 1316 O THR A 91 -2.295 4.101 -8.962 1.00 0.00 O ATOM 1317 CB THR A 91 -2.134 1.144 -9.065 1.00 0.00 C ATOM 1318 OG1 THR A 91 -2.762 1.541 -10.271 1.00 0.00 O ATOM 1319 CG2 THR A 91 -2.458 -0.336 -8.848 1.00 0.00 C ATOM 0 H THR A 91 -4.496 2.160 -8.676 1.00 0.00 H new ATOM 0 HA THR A 91 -2.146 1.474 -7.022 1.00 0.00 H new ATOM 0 HB THR A 91 -1.057 1.296 -9.143 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.844 2.517 -10.291 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.122 -0.912 -9.710 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.949 -0.693 -7.953 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.534 -0.459 -8.726 1.00 0.00 H new ATOM 1327 N LEU A 92 -1.608 3.883 -6.824 1.00 0.00 N ATOM 1328 CA LEU A 92 -0.962 5.169 -6.662 1.00 0.00 C ATOM 1329 C LEU A 92 0.529 4.873 -6.671 1.00 0.00 C ATOM 1330 O LEU A 92 0.942 3.749 -6.360 1.00 0.00 O ATOM 1331 CB LEU A 92 -1.390 5.789 -5.322 1.00 0.00 C ATOM 1332 CG LEU A 92 -2.497 6.850 -5.403 1.00 0.00 C ATOM 1333 CD1 LEU A 92 -3.780 6.412 -6.131 1.00 0.00 C ATOM 1334 CD2 LEU A 92 -2.820 7.289 -3.978 1.00 0.00 C ATOM 0 H LEU A 92 -1.623 3.341 -5.960 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.229 5.876 -7.447 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.727 4.988 -4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.514 6.239 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.112 7.667 -6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.496 7.234 -6.132 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.540 6.139 -7.158 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.214 5.553 -5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.605 8.045 -3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.160 6.429 -3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.926 7.707 -3.515 1.00 0.00 H new ATOM 1346 N SER A 93 1.331 5.882 -6.979 1.00 0.00 N ATOM 1347 CA SER A 93 2.776 5.794 -6.977 1.00 0.00 C ATOM 1348 C SER A 93 3.251 6.790 -5.920 1.00 0.00 C ATOM 1349 O SER A 93 2.792 7.937 -5.905 1.00 0.00 O ATOM 1350 CB SER A 93 3.284 6.078 -8.395 1.00 0.00 C ATOM 1351 OG SER A 93 2.635 5.243 -9.356 1.00 0.00 O ATOM 0 H SER A 93 0.983 6.804 -7.243 1.00 0.00 H new ATOM 0 HA SER A 93 3.166 4.809 -6.720 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.110 7.125 -8.643 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.361 5.915 -8.437 1.00 0.00 H new ATOM 0 HG SER A 93 2.977 5.447 -10.251 1.00 0.00 H new ATOM 1357 N LEU A 94 4.047 6.319 -4.956 1.00 0.00 N ATOM 1358 CA LEU A 94 4.576 7.096 -3.839 1.00 0.00 C ATOM 1359 C LEU A 94 6.058 7.311 -4.082 1.00 0.00 C ATOM 1360 O LEU A 94 6.878 6.447 -3.763 1.00 0.00 O ATOM 1361 CB LEU A 94 4.340 6.361 -2.512 1.00 0.00 C ATOM 1362 CG LEU A 94 4.988 7.020 -1.276 1.00 0.00 C ATOM 1363 CD1 LEU A 94 4.884 8.548 -1.241 1.00 0.00 C ATOM 1364 CD2 LEU A 94 4.297 6.479 -0.022 1.00 0.00 C ATOM 0 H LEU A 94 4.351 5.346 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 94 4.066 8.057 -3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.266 6.284 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.721 5.344 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 94 6.049 6.775 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.365 8.925 -0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.378 8.966 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.834 8.841 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.742 6.934 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.235 6.720 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.422 5.397 0.024 1.00 0.00 H new ATOM 1376 N LYS A 95 6.386 8.462 -4.656 1.00 0.00 N ATOM 1377 CA LYS A 95 7.748 8.879 -4.935 1.00 0.00 C ATOM 1378 C LYS A 95 8.081 10.006 -3.973 1.00 0.00 C ATOM 1379 O LYS A 95 7.834 11.166 -4.274 1.00 0.00 O ATOM 1380 CB LYS A 95 7.831 9.242 -6.423 1.00 0.00 C ATOM 1381 CG LYS A 95 9.124 9.943 -6.846 1.00 0.00 C ATOM 1382 CD LYS A 95 9.148 10.159 -8.366 1.00 0.00 C ATOM 1383 CE LYS A 95 9.505 8.888 -9.147 1.00 0.00 C ATOM 1384 NZ LYS A 95 10.841 8.364 -8.791 1.00 0.00 N ATOM 0 H LYS A 95 5.690 9.148 -4.947 1.00 0.00 H new ATOM 0 HA LYS A 95 8.495 8.102 -4.773 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.720 8.331 -7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.988 9.886 -6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.208 10.902 -6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.984 9.345 -6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.171 10.517 -8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.870 10.940 -8.605 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.754 8.122 -8.953 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.474 9.101 -10.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 11.159 7.698 -9.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 11.516 9.152 -8.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.789 7.873 -7.876 1.00 0.00 H new ATOM 1398 N ILE A 96 8.624 9.684 -2.802 1.00 0.00 N ATOM 1399 CA ILE A 96 9.337 10.703 -2.036 1.00 0.00 C ATOM 1400 C ILE A 96 10.641 10.937 -2.788 1.00 0.00 C ATOM 1401 O ILE A 96 11.242 9.965 -3.255 1.00 0.00 O ATOM 1402 CB ILE A 96 9.621 10.253 -0.586 1.00 0.00 C ATOM 1403 CG1 ILE A 96 8.344 9.762 0.127 1.00 0.00 C ATOM 1404 CG2 ILE A 96 10.263 11.396 0.217 1.00 0.00 C ATOM 1405 CD1 ILE A 96 8.302 8.231 0.182 1.00 0.00 C ATOM 0 H ILE A 96 8.588 8.759 -2.374 1.00 0.00 H new ATOM 0 HA ILE A 96 8.738 11.610 -1.950 1.00 0.00 H new ATOM 0 HB ILE A 96 10.316 9.415 -0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.309 10.167 1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.464 10.135 -0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.456 11.061 1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.202 11.688 -0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.587 12.251 0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.392 7.910 0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.313 7.830 -0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.171 7.863 0.727 1.00 0.00 H new ATOM 1417 N VAL A 97 11.102 12.183 -2.865 1.00 0.00 N ATOM 1418 CA VAL A 97 12.462 12.512 -3.285 1.00 0.00 C ATOM 1419 C VAL A 97 13.047 13.427 -2.205 1.00 0.00 C ATOM 1420 O VAL A 97 12.849 14.644 -2.268 1.00 0.00 O ATOM 1421 CB VAL A 97 12.443 13.151 -4.691 1.00 0.00 C ATOM 1422 CG1 VAL A 97 13.850 13.463 -5.220 1.00 0.00 C ATOM 1423 CG2 VAL A 97 11.714 12.298 -5.737 1.00 0.00 C ATOM 0 H VAL A 97 10.537 13.000 -2.635 1.00 0.00 H new ATOM 0 HA VAL A 97 13.093 11.628 -3.378 1.00 0.00 H new ATOM 0 HB VAL A 97 11.893 14.081 -4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.775 13.910 -6.211 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.347 14.159 -4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.429 12.541 -5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.738 12.806 -6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.207 11.330 -5.824 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.678 12.152 -5.430 1.00 0.00 H new ATOM 1433 N GLN A 98 13.747 12.865 -1.213 1.00 0.00 N ATOM 1434 CA GLN A 98 14.285 13.625 -0.084 1.00 0.00 C ATOM 1435 C GLN A 98 15.818 13.649 -0.128 1.00 0.00 C ATOM 1436 O GLN A 98 16.405 12.665 -0.584 1.00 0.00 O ATOM 1437 CB GLN A 98 13.770 13.058 1.247 1.00 0.00 C ATOM 1438 CG GLN A 98 14.267 11.655 1.621 1.00 0.00 C ATOM 1439 CD GLN A 98 13.767 11.226 3.002 1.00 0.00 C ATOM 1440 OE1 GLN A 98 13.450 12.046 3.856 1.00 0.00 O ATOM 1441 NE2 GLN A 98 13.694 9.930 3.252 1.00 0.00 N ATOM 0 H GLN A 98 13.956 11.867 -1.172 1.00 0.00 H new ATOM 0 HA GLN A 98 13.935 14.654 -0.163 1.00 0.00 H new ATOM 0 HB2 GLN A 98 14.052 13.746 2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.681 13.038 1.213 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.929 10.938 0.873 1.00 0.00 H new ATOM 0 HG3 GLN A 98 15.357 11.640 1.608 1.00 0.00 H new ATOM 0 HE21 GLN A 98 13.960 9.256 2.534 1.00 0.00 H new ATOM 0 HE22 GLN A 98 13.371 9.604 4.163 1.00 0.00 H new ATOM 1450 N PRO A 99 16.478 14.730 0.333 1.00 0.00 N ATOM 1451 CA PRO A 99 17.925 14.800 0.537 1.00 0.00 C ATOM 1452 C PRO A 99 18.359 13.872 1.678 1.00 0.00 C ATOM 1453 O PRO A 99 17.606 12.996 2.105 1.00 0.00 O ATOM 1454 CB PRO A 99 18.224 16.281 0.804 1.00 0.00 C ATOM 1455 CG PRO A 99 16.955 16.775 1.480 1.00 0.00 C ATOM 1456 CD PRO A 99 15.852 15.949 0.823 1.00 0.00 C ATOM 0 HA PRO A 99 18.492 14.454 -0.327 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.097 16.406 1.445 1.00 0.00 H new ATOM 0 HB3 PRO A 99 18.426 16.824 -0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.987 16.616 2.558 1.00 0.00 H new ATOM 0 HG3 PRO A 99 16.805 17.843 1.320 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.063 15.718 1.539 1.00 0.00 H new ATOM 0 HD3 PRO A 99 15.389 16.502 0.006 1.00 0.00 H new ATOM 1464 N GLY A 100 19.599 14.015 2.138 1.00 0.00 N ATOM 1465 CA GLY A 100 20.144 13.216 3.219 1.00 0.00 C ATOM 1466 C GLY A 100 21.016 14.040 4.148 1.00 0.00 C ATOM 1467 O GLY A 100 21.591 15.064 3.750 1.00 0.00 O ATOM 0 H GLY A 100 20.257 14.698 1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 100 19.328 12.770 3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 100 20.730 12.395 2.804 1.00 0.00 H new ATOM 1471 N LYS A 101 21.211 13.510 5.353 1.00 0.00 N ATOM 1472 CA LYS A 101 21.858 14.130 6.507 1.00 0.00 C ATOM 1473 C LYS A 101 22.799 13.100 7.138 1.00 0.00 C ATOM 1474 O LYS A 101 22.906 11.981 6.644 1.00 0.00 O ATOM 1475 CB LYS A 101 20.806 14.760 7.440 1.00 0.00 C ATOM 1476 CG LYS A 101 20.168 13.891 8.529 1.00 0.00 C ATOM 1477 CD LYS A 101 19.618 12.561 8.009 1.00 0.00 C ATOM 1478 CE LYS A 101 18.578 11.958 8.949 1.00 0.00 C ATOM 1479 NZ LYS A 101 19.032 11.825 10.341 1.00 0.00 N ATOM 0 H LYS A 101 20.897 12.563 5.564 1.00 0.00 H new ATOM 0 HA LYS A 101 22.486 14.976 6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 101 21.271 15.615 7.931 1.00 0.00 H new ATOM 0 HB3 LYS A 101 20.002 15.149 6.815 1.00 0.00 H new ATOM 0 HG2 LYS A 101 20.909 13.690 9.302 1.00 0.00 H new ATOM 0 HG3 LYS A 101 19.359 14.450 9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 101 19.171 12.714 7.027 1.00 0.00 H new ATOM 0 HD3 LYS A 101 20.439 11.856 7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 101 17.682 12.578 8.928 1.00 0.00 H new ATOM 0 HE3 LYS A 101 18.293 10.974 8.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.298 11.347 10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 19.908 11.265 10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 19.212 12.769 10.739 1.00 0.00 H new