USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 466 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 Single : A 7 ASN : amide:sc= -0.0746 K(o=-0.075,f=-0.58) USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= 0.595 (180deg=0.499) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.599 USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0145) USER MOD Single : A 32 MET CE :methyl 177:sc= -0.699 (180deg=-0.763) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -31:sc= 0.193 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 48 CYS SG : rot 62:sc= -0.856 USER MOD Single : A 49 SER OG : rot 180:sc= -0.496 USER MOD Single : A 51 HIS : no HD1:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.117 K(o=0.12,f=-5.5!) USER MOD Single : A 60 ASN : amide:sc= 0.595 K(o=0.6,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= -0.0125 (180deg=-0.318) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.124 2.500 -20.013 1.00 25.00 N ATOM 81 CA LEU A 6 9.426 2.050 -21.383 1.00 25.00 C ATOM 82 C LEU A 6 8.331 2.322 -22.419 1.00 25.00 C ATOM 83 O LEU A 6 8.596 2.870 -23.485 1.00 25.00 O ATOM 84 CB LEU A 6 9.691 0.524 -21.377 1.00 25.00 C ATOM 85 CG LEU A 6 11.155 0.074 -21.312 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.870 0.524 -20.023 1.00 25.00 C ATOM 87 CD2 LEU A 6 11.207 -1.438 -21.443 1.00 25.00 C ATOM 0 HA LEU A 6 10.296 2.634 -21.682 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.165 0.092 -20.526 1.00 25.00 H new ATOM 0 HB3 LEU A 6 9.245 0.099 -22.276 1.00 25.00 H new ATOM 0 HG LEU A 6 11.686 0.551 -22.135 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.902 0.174 -20.038 1.00 25.00 H new ATOM 0 HD12 LEU A 6 11.857 1.612 -19.960 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.358 0.104 -19.157 1.00 25.00 H new ATOM 0 HD21 LEU A 6 12.244 -1.772 -21.398 1.00 25.00 H new ATOM 0 HD22 LEU A 6 10.644 -1.893 -20.628 1.00 25.00 H new ATOM 0 HD23 LEU A 6 10.771 -1.736 -22.396 1.00 25.00 H new ATOM 99 N ASN A 7 7.111 1.923 -22.097 1.00 25.00 N ATOM 100 CA ASN A 7 5.934 2.135 -22.961 1.00 25.00 C ATOM 101 C ASN A 7 6.091 1.660 -24.424 1.00 25.00 C ATOM 102 O ASN A 7 5.636 2.316 -25.358 1.00 25.00 O ATOM 103 CB ASN A 7 5.541 3.619 -22.935 1.00 25.00 C ATOM 104 CG ASN A 7 4.099 3.834 -23.323 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.211 3.113 -22.887 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.849 4.841 -24.118 1.00 25.00 N ATOM 0 H ASN A 7 6.896 1.439 -21.226 1.00 25.00 H new ATOM 0 HA ASN A 7 5.149 1.506 -22.542 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.710 4.020 -21.936 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.185 4.176 -23.615 1.00 25.00 H new ATOM 0 HD21 ASN A 7 2.889 5.047 -24.394 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.614 5.421 -24.462 1.00 25.00 H new ATOM 113 N VAL A 8 6.703 0.491 -24.611 1.00 25.00 N ATOM 114 CA VAL A 8 6.831 -0.123 -25.931 1.00 25.00 C ATOM 115 C VAL A 8 6.020 -1.399 -25.878 1.00 25.00 C ATOM 116 O VAL A 8 5.678 -1.847 -24.799 1.00 25.00 O ATOM 117 CB VAL A 8 8.307 -0.426 -26.296 1.00 25.00 C ATOM 118 CG1 VAL A 8 9.091 0.874 -26.470 1.00 25.00 C ATOM 119 CG2 VAL A 8 8.983 -1.303 -25.235 1.00 25.00 C ATOM 0 H VAL A 8 7.121 -0.054 -23.857 1.00 25.00 H new ATOM 0 HA VAL A 8 6.470 0.557 -26.703 1.00 25.00 H new ATOM 0 HB VAL A 8 8.305 -0.975 -27.238 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.125 0.644 -26.726 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.643 1.465 -27.268 1.00 25.00 H new ATOM 0 HG13 VAL A 8 9.065 1.442 -25.540 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.016 -1.494 -25.525 1.00 25.00 H new ATOM 0 HG22 VAL A 8 8.965 -0.790 -24.274 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.449 -2.249 -25.151 1.00 25.00 H new ATOM 129 N LEU A 9 5.680 -1.980 -27.021 1.00 25.00 N ATOM 130 CA LEU A 9 4.825 -3.168 -27.037 1.00 25.00 C ATOM 131 C LEU A 9 5.360 -4.236 -27.973 1.00 25.00 C ATOM 132 O LEU A 9 6.129 -3.962 -28.889 1.00 25.00 O ATOM 133 CB LEU A 9 3.377 -2.812 -27.398 1.00 25.00 C ATOM 134 CG LEU A 9 3.130 -1.893 -28.606 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.802 -2.247 -29.274 1.00 25.00 C ATOM 136 CD2 LEU A 9 3.082 -0.421 -28.167 1.00 25.00 C ATOM 0 H LEU A 9 5.977 -1.656 -27.941 1.00 25.00 H new ATOM 0 HA LEU A 9 4.834 -3.576 -26.026 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.840 -3.744 -27.574 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.923 -2.343 -26.525 1.00 25.00 H new ATOM 0 HG LEU A 9 3.950 -2.036 -29.309 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.638 -1.590 -30.128 1.00 25.00 H new ATOM 0 HD12 LEU A 9 1.830 -3.283 -29.613 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.990 -2.121 -28.558 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.906 0.212 -29.036 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.275 -0.282 -27.448 1.00 25.00 H new ATOM 0 HD23 LEU A 9 4.031 -0.148 -27.705 1.00 25.00 H new ATOM 148 N ALA A 10 4.976 -5.464 -27.691 1.00 25.00 N ATOM 149 CA ALA A 10 5.502 -6.622 -28.386 1.00 25.00 C ATOM 150 C ALA A 10 4.391 -7.635 -28.667 1.00 25.00 C ATOM 151 O ALA A 10 3.420 -7.722 -27.912 1.00 25.00 O ATOM 152 CB ALA A 10 6.586 -7.273 -27.536 1.00 25.00 C ATOM 0 H ALA A 10 4.289 -5.688 -26.972 1.00 25.00 H new ATOM 0 HA ALA A 10 5.923 -6.298 -29.338 1.00 25.00 H new ATOM 0 HB1 ALA A 10 6.983 -8.144 -28.057 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.390 -6.558 -27.361 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.162 -7.583 -26.581 1.00 25.00 H new ATOM 158 N LYS A 11 4.560 -8.425 -29.714 1.00 25.00 N ATOM 159 CA LYS A 11 3.630 -9.517 -30.011 1.00 25.00 C ATOM 160 C LYS A 11 4.253 -10.827 -29.552 1.00 25.00 C ATOM 161 O LYS A 11 5.444 -11.057 -29.788 1.00 25.00 O ATOM 162 CB LYS A 11 3.357 -9.605 -31.517 1.00 25.00 C ATOM 163 CG LYS A 11 2.231 -10.598 -31.871 1.00 25.00 C ATOM 164 CD LYS A 11 2.070 -10.796 -33.371 1.00 25.00 C ATOM 165 CE LYS A 11 3.053 -11.825 -33.936 1.00 25.00 C ATOM 166 NZ LYS A 11 2.734 -13.209 -33.444 1.00 25.00 N ATOM 0 H LYS A 11 5.331 -8.336 -30.376 1.00 25.00 H new ATOM 0 HA LYS A 11 2.690 -9.329 -29.492 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.092 -8.616 -31.890 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.271 -9.904 -32.029 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.440 -11.560 -31.403 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.291 -10.238 -31.454 1.00 25.00 H new ATOM 0 HD2 LYS A 11 1.050 -11.117 -33.584 1.00 25.00 H new ATOM 0 HD3 LYS A 11 2.216 -9.842 -33.878 1.00 25.00 H new ATOM 0 HE2 LYS A 11 3.017 -11.806 -35.025 1.00 25.00 H new ATOM 0 HE3 LYS A 11 4.069 -11.558 -33.646 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 3.351 -13.898 -33.921 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 2.891 -13.257 -32.417 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 1.740 -13.431 -33.653 1.00 25.00 H new ATOM 180 N ALA A 12 3.449 -11.692 -28.963 1.00 25.00 N ATOM 181 CA ALA A 12 3.906 -13.011 -28.567 1.00 25.00 C ATOM 182 C ALA A 12 4.130 -13.864 -29.810 1.00 25.00 C ATOM 183 O ALA A 12 3.264 -13.938 -30.691 1.00 25.00 O ATOM 184 CB ALA A 12 2.888 -13.669 -27.651 1.00 25.00 C ATOM 0 H ALA A 12 2.470 -11.503 -28.747 1.00 25.00 H new ATOM 0 HA ALA A 12 4.846 -12.917 -28.023 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.244 -14.658 -27.362 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.752 -13.057 -26.759 1.00 25.00 H new ATOM 0 HB3 ALA A 12 1.936 -13.765 -28.174 1.00 25.00 H new ATOM 190 N LEU A 13 5.284 -14.497 -29.893 1.00 25.00 N ATOM 191 CA LEU A 13 5.616 -15.355 -31.020 1.00 25.00 C ATOM 192 C LEU A 13 5.165 -16.778 -30.706 1.00 25.00 C ATOM 193 O LEU A 13 4.721 -17.515 -31.588 1.00 25.00 O ATOM 194 CB LEU A 13 7.138 -15.349 -31.244 1.00 25.00 C ATOM 195 CG LEU A 13 7.778 -14.008 -31.614 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.300 -14.136 -31.551 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.352 -13.574 -33.021 1.00 25.00 C ATOM 0 H LEU A 13 6.017 -14.433 -29.186 1.00 25.00 H new ATOM 0 HA LEU A 13 5.116 -14.990 -31.917 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.616 -15.714 -30.335 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.368 -16.064 -32.034 1.00 25.00 H new ATOM 0 HG LEU A 13 7.443 -13.252 -30.904 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.757 -13.182 -31.814 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.600 -14.416 -30.541 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.630 -14.902 -32.253 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.818 -12.619 -33.264 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.667 -14.326 -33.745 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.268 -13.468 -33.056 1.00 25.00 H new ATOM 209 N TYR A 14 5.264 -17.129 -29.440 1.00 25.00 N ATOM 210 CA TYR A 14 4.884 -18.440 -28.940 1.00 25.00 C ATOM 211 C TYR A 14 3.858 -18.241 -27.833 1.00 25.00 C ATOM 212 O TYR A 14 3.653 -17.124 -27.384 1.00 25.00 O ATOM 213 CB TYR A 14 6.119 -19.164 -28.385 1.00 25.00 C ATOM 214 CG TYR A 14 7.301 -19.164 -29.337 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.288 -18.156 -29.259 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.449 -20.166 -30.325 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.408 -18.154 -30.144 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.560 -20.150 -31.205 1.00 25.00 C ATOM 219 CZ TYR A 14 9.531 -19.152 -31.103 1.00 25.00 C ATOM 220 OH TYR A 14 10.619 -19.157 -31.942 1.00 25.00 O ATOM 0 H TYR A 14 5.616 -16.503 -28.716 1.00 25.00 H new ATOM 0 HA TYR A 14 4.462 -19.045 -29.743 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.417 -18.692 -27.449 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.851 -20.194 -28.151 1.00 25.00 H new ATOM 0 HD1 TYR A 14 8.194 -17.375 -28.519 1.00 25.00 H new ATOM 0 HD2 TYR A 14 6.710 -20.949 -30.409 1.00 25.00 H new ATOM 0 HE1 TYR A 14 10.157 -17.380 -30.068 1.00 25.00 H new ATOM 0 HE2 TYR A 14 8.656 -20.916 -31.960 1.00 25.00 H new ATOM 0 HH TYR A 14 10.557 -19.920 -32.554 1.00 25.00 H new ATOM 230 N ASP A 15 3.211 -19.308 -27.403 1.00 25.00 N ATOM 231 CA ASP A 15 2.222 -19.255 -26.331 1.00 25.00 C ATOM 232 C ASP A 15 2.815 -19.803 -25.031 1.00 25.00 C ATOM 233 O ASP A 15 3.812 -20.516 -25.042 1.00 25.00 O ATOM 234 CB ASP A 15 0.973 -20.068 -26.730 1.00 25.00 C ATOM 235 CG ASP A 15 1.303 -21.483 -27.175 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.937 -21.628 -28.258 1.00 25.00 O ATOM 237 OD2 ASP A 15 0.831 -22.435 -26.543 1.00 25.00 O ATOM 0 H ASP A 15 3.354 -20.242 -27.786 1.00 25.00 H new ATOM 0 HA ASP A 15 1.934 -18.216 -26.169 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.288 -20.110 -25.883 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.452 -19.551 -27.536 1.00 25.00 H new ATOM 242 N ASN A 16 2.211 -19.423 -23.913 1.00 25.00 N ATOM 243 CA ASN A 16 2.660 -19.842 -22.587 1.00 25.00 C ATOM 244 C ASN A 16 1.499 -19.843 -21.607 1.00 25.00 C ATOM 245 O ASN A 16 0.755 -18.864 -21.524 1.00 25.00 O ATOM 246 CB ASN A 16 3.711 -18.863 -22.074 1.00 25.00 C ATOM 247 CG ASN A 16 4.523 -19.428 -20.952 1.00 25.00 C ATOM 248 OD1 ASN A 16 5.340 -20.305 -21.174 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.325 -18.930 -19.768 1.00 25.00 N ATOM 0 H ASN A 16 1.393 -18.814 -23.897 1.00 25.00 H new ATOM 0 HA ASN A 16 3.074 -20.847 -22.667 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.374 -18.585 -22.893 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.219 -17.950 -21.738 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.866 -19.273 -18.974 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.629 -18.197 -19.633 1.00 25.00 H new ATOM 256 N VAL A 17 1.367 -20.903 -20.828 1.00 25.00 N ATOM 257 CA VAL A 17 0.387 -20.955 -19.754 1.00 25.00 C ATOM 258 C VAL A 17 1.232 -20.723 -18.512 1.00 25.00 C ATOM 259 O VAL A 17 2.249 -21.380 -18.352 1.00 25.00 O ATOM 260 CB VAL A 17 -0.323 -22.341 -19.676 1.00 25.00 C ATOM 261 CG1 VAL A 17 -1.268 -22.373 -18.483 1.00 25.00 C ATOM 262 CG2 VAL A 17 -1.113 -22.608 -20.979 1.00 25.00 C ATOM 0 H VAL A 17 1.932 -21.747 -20.920 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.415 -20.229 -19.888 1.00 25.00 H new ATOM 0 HB VAL A 17 0.432 -23.118 -19.555 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -1.760 -23.344 -18.435 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -0.702 -22.207 -17.566 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -2.019 -21.591 -18.593 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -1.605 -23.579 -20.914 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.863 -21.829 -21.116 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -0.428 -22.605 -21.827 1.00 25.00 H new ATOM 272 N ALA A 18 0.879 -19.745 -17.700 1.00 25.00 N ATOM 273 CA ALA A 18 1.660 -19.440 -16.523 1.00 25.00 C ATOM 274 C ALA A 18 1.441 -20.547 -15.505 1.00 25.00 C ATOM 275 O ALA A 18 0.306 -20.884 -15.184 1.00 25.00 O ATOM 276 CB ALA A 18 1.227 -18.120 -15.940 1.00 25.00 C ATOM 0 H ALA A 18 0.060 -19.152 -17.835 1.00 25.00 H new ATOM 0 HA ALA A 18 2.716 -19.371 -16.786 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.822 -17.901 -15.054 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.371 -17.331 -16.678 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.173 -18.172 -15.666 1.00 25.00 H new ATOM 282 N GLU A 19 2.526 -21.089 -14.985 1.00 25.00 N ATOM 283 CA GLU A 19 2.459 -22.135 -13.956 1.00 25.00 C ATOM 284 C GLU A 19 2.709 -21.508 -12.594 1.00 25.00 C ATOM 285 O GLU A 19 2.532 -22.116 -11.541 1.00 25.00 O ATOM 286 CB GLU A 19 3.500 -23.213 -14.226 1.00 25.00 C ATOM 287 CG GLU A 19 3.373 -23.827 -15.608 1.00 25.00 C ATOM 288 CD GLU A 19 4.152 -25.133 -15.717 1.00 25.00 C ATOM 289 OE1 GLU A 19 3.533 -26.175 -16.023 1.00 25.00 O ATOM 290 OE2 GLU A 19 5.377 -25.126 -15.454 1.00 25.00 O ATOM 0 H GLU A 19 3.474 -20.827 -15.254 1.00 25.00 H new ATOM 0 HA GLU A 19 1.471 -22.595 -13.976 1.00 25.00 H new ATOM 0 HB2 GLU A 19 4.496 -22.784 -14.115 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.405 -23.998 -13.476 1.00 25.00 H new ATOM 0 HG2 GLU A 19 2.322 -24.010 -15.830 1.00 25.00 H new ATOM 0 HG3 GLU A 19 3.738 -23.122 -16.355 1.00 25.00 H new ATOM 297 N SER A 20 3.122 -20.254 -12.638 1.00 25.00 N ATOM 298 CA SER A 20 3.462 -19.483 -11.442 1.00 25.00 C ATOM 299 C SER A 20 2.690 -18.163 -11.466 1.00 25.00 C ATOM 300 O SER A 20 2.327 -17.672 -12.535 1.00 25.00 O ATOM 301 CB SER A 20 4.963 -19.221 -11.446 1.00 25.00 C ATOM 302 OG SER A 20 5.666 -20.436 -11.255 1.00 25.00 O ATOM 0 H SER A 20 3.234 -19.733 -13.508 1.00 25.00 H new ATOM 0 HA SER A 20 3.194 -20.032 -10.539 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.259 -18.765 -12.391 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.220 -18.515 -10.657 1.00 25.00 H new ATOM 0 HG SER A 20 6.630 -20.260 -11.260 1.00 25.00 H new ATOM 308 N PRO A 21 2.399 -17.574 -10.288 1.00 25.00 N ATOM 309 CA PRO A 21 1.594 -16.343 -10.302 1.00 25.00 C ATOM 310 C PRO A 21 2.327 -15.108 -10.812 1.00 25.00 C ATOM 311 O PRO A 21 1.698 -14.161 -11.278 1.00 25.00 O ATOM 312 CB PRO A 21 1.206 -16.176 -8.837 1.00 25.00 C ATOM 313 CG PRO A 21 2.339 -16.800 -8.096 1.00 25.00 C ATOM 314 CD PRO A 21 2.720 -17.997 -8.915 1.00 25.00 C ATOM 0 HA PRO A 21 0.755 -16.433 -10.992 1.00 25.00 H new ATOM 0 HB2 PRO A 21 1.085 -15.126 -8.572 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.261 -16.672 -8.614 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.175 -16.108 -7.995 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.041 -17.089 -7.088 1.00 25.00 H new ATOM 0 HD2 PRO A 21 3.776 -18.242 -8.805 1.00 25.00 H new ATOM 0 HD3 PRO A 21 2.155 -18.882 -8.623 1.00 25.00 H new ATOM 322 N ASP A 22 3.647 -15.096 -10.692 1.00 25.00 N ATOM 323 CA ASP A 22 4.458 -13.964 -11.159 1.00 25.00 C ATOM 324 C ASP A 22 4.560 -13.968 -12.678 1.00 25.00 C ATOM 325 O ASP A 22 4.922 -12.972 -13.300 1.00 25.00 O ATOM 326 CB ASP A 22 5.894 -14.074 -10.616 1.00 25.00 C ATOM 327 CG ASP A 22 5.979 -13.805 -9.136 1.00 25.00 C ATOM 328 OD1 ASP A 22 5.408 -14.587 -8.346 1.00 25.00 O ATOM 329 OD2 ASP A 22 6.686 -12.855 -8.750 1.00 25.00 O ATOM 0 H ASP A 22 4.186 -15.855 -10.276 1.00 25.00 H new ATOM 0 HA ASP A 22 3.975 -13.053 -10.806 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.280 -15.072 -10.822 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.534 -13.369 -11.147 1.00 25.00 H new ATOM 334 N GLU A 23 4.288 -15.126 -13.260 1.00 25.00 N ATOM 335 CA GLU A 23 4.434 -15.349 -14.690 1.00 25.00 C ATOM 336 C GLU A 23 3.133 -15.009 -15.405 1.00 25.00 C ATOM 337 O GLU A 23 2.041 -15.217 -14.869 1.00 25.00 O ATOM 338 CB GLU A 23 4.808 -16.822 -14.897 1.00 25.00 C ATOM 339 CG GLU A 23 5.181 -17.198 -16.305 1.00 25.00 C ATOM 340 CD GLU A 23 5.648 -18.640 -16.398 1.00 25.00 C ATOM 341 OE1 GLU A 23 6.725 -18.879 -16.986 1.00 25.00 O ATOM 342 OE2 GLU A 23 4.935 -19.539 -15.892 1.00 25.00 O ATOM 0 H GLU A 23 3.957 -15.944 -12.749 1.00 25.00 H new ATOM 0 HA GLU A 23 5.213 -14.709 -15.105 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.644 -17.063 -14.240 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.967 -17.441 -14.584 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.322 -17.051 -16.960 1.00 25.00 H new ATOM 0 HG3 GLU A 23 5.971 -16.536 -16.661 1.00 25.00 H new ATOM 349 N LEU A 24 3.231 -14.446 -16.599 1.00 25.00 N ATOM 350 CA LEU A 24 2.025 -14.074 -17.339 1.00 25.00 C ATOM 351 C LEU A 24 1.605 -15.171 -18.304 1.00 25.00 C ATOM 352 O LEU A 24 2.429 -15.723 -19.040 1.00 25.00 O ATOM 353 CB LEU A 24 2.274 -12.793 -18.125 1.00 25.00 C ATOM 354 CG LEU A 24 1.378 -11.595 -17.760 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.832 -10.371 -18.556 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.107 -11.878 -18.041 1.00 25.00 C ATOM 0 H LEU A 24 4.110 -14.238 -17.072 1.00 25.00 H new ATOM 0 HA LEU A 24 1.225 -13.922 -16.614 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.314 -12.500 -17.984 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.144 -13.009 -19.185 1.00 25.00 H new ATOM 0 HG LEU A 24 1.477 -11.411 -16.690 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.202 -9.518 -18.303 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.869 -10.142 -18.311 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.749 -10.579 -19.623 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.701 -11.006 -17.769 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.242 -12.093 -19.101 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.431 -12.736 -17.453 1.00 25.00 H new ATOM 368 N SER A 25 0.309 -15.437 -18.349 1.00 25.00 N ATOM 369 CA SER A 25 -0.243 -16.333 -19.344 1.00 25.00 C ATOM 370 C SER A 25 -0.501 -15.495 -20.573 1.00 25.00 C ATOM 371 O SER A 25 -1.161 -14.464 -20.494 1.00 25.00 O ATOM 372 CB SER A 25 -1.560 -16.963 -18.874 1.00 25.00 C ATOM 373 OG SER A 25 -1.348 -17.804 -17.760 1.00 25.00 O ATOM 0 H SER A 25 -0.378 -15.043 -17.706 1.00 25.00 H new ATOM 0 HA SER A 25 0.452 -17.151 -19.536 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.270 -16.178 -18.612 1.00 25.00 H new ATOM 0 HB3 SER A 25 -2.004 -17.536 -19.688 1.00 25.00 H new ATOM 0 HG SER A 25 -2.202 -18.193 -17.477 1.00 25.00 H new ATOM 379 N PHE A 26 0.001 -15.937 -21.709 1.00 25.00 N ATOM 380 CA PHE A 26 -0.190 -15.206 -22.958 1.00 25.00 C ATOM 381 C PHE A 26 -0.212 -16.228 -24.067 1.00 25.00 C ATOM 382 O PHE A 26 0.319 -17.318 -23.904 1.00 25.00 O ATOM 383 CB PHE A 26 0.937 -14.185 -23.175 1.00 25.00 C ATOM 384 CG PHE A 26 2.317 -14.791 -23.212 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.861 -15.308 -24.407 1.00 25.00 C ATOM 386 CD2 PHE A 26 3.087 -14.842 -22.045 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.171 -15.851 -24.429 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.387 -15.399 -22.049 1.00 25.00 C ATOM 389 CZ PHE A 26 4.932 -15.897 -23.242 1.00 25.00 C ATOM 0 H PHE A 26 0.544 -16.796 -21.799 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.123 -14.642 -22.935 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.759 -13.656 -24.111 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.899 -13.443 -22.378 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.274 -15.290 -25.313 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.681 -14.449 -21.124 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.585 -16.228 -25.352 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.960 -15.441 -21.134 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.929 -16.313 -23.252 1.00 25.00 H new ATOM 399 N ARG A 27 -0.821 -15.908 -25.198 1.00 25.00 N ATOM 400 CA ARG A 27 -0.859 -16.864 -26.302 1.00 25.00 C ATOM 401 C ARG A 27 -0.269 -16.244 -27.541 1.00 25.00 C ATOM 402 O ARG A 27 -0.263 -15.044 -27.704 1.00 25.00 O ATOM 403 CB ARG A 27 -2.278 -17.386 -26.537 1.00 25.00 C ATOM 404 CG ARG A 27 -2.850 -18.094 -25.305 1.00 25.00 C ATOM 405 CD ARG A 27 -3.812 -19.220 -25.649 1.00 25.00 C ATOM 406 NE ARG A 27 -5.032 -18.733 -26.316 1.00 25.00 N ATOM 407 CZ ARG A 27 -6.040 -19.508 -26.714 1.00 25.00 C ATOM 408 NH1 ARG A 27 -6.031 -20.803 -26.545 1.00 25.00 N ATOM 409 NH2 ARG A 27 -7.077 -18.969 -27.299 1.00 25.00 N ATOM 0 H ARG A 27 -1.286 -15.018 -25.378 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.251 -17.729 -26.039 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.928 -16.554 -26.809 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.273 -18.077 -27.380 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.029 -18.496 -24.712 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -3.365 -17.363 -24.682 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -3.309 -19.938 -26.297 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.087 -19.751 -24.737 1.00 25.00 H new ATOM 0 HE ARG A 27 -5.111 -17.730 -26.485 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -5.234 -21.253 -26.095 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -6.821 -21.364 -26.863 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -7.111 -17.961 -27.448 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -7.852 -19.557 -27.606 1.00 25.00 H new ATOM 423 N LYS A 28 0.266 -17.084 -28.402 1.00 25.00 N ATOM 424 CA LYS A 28 0.906 -16.626 -29.627 1.00 25.00 C ATOM 425 C LYS A 28 -0.058 -15.773 -30.434 1.00 25.00 C ATOM 426 O LYS A 28 -1.189 -16.171 -30.713 1.00 25.00 O ATOM 427 CB LYS A 28 1.448 -17.806 -30.443 1.00 25.00 C ATOM 428 CG LYS A 28 0.445 -18.900 -30.773 1.00 25.00 C ATOM 429 CD LYS A 28 1.166 -20.120 -31.322 1.00 25.00 C ATOM 430 CE LYS A 28 0.197 -21.257 -31.624 1.00 25.00 C ATOM 431 NZ LYS A 28 -0.670 -20.942 -32.814 1.00 25.00 N ATOM 0 H LYS A 28 0.272 -18.096 -28.278 1.00 25.00 H new ATOM 0 HA LYS A 28 1.762 -16.005 -29.363 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.856 -17.420 -31.377 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.277 -18.253 -29.894 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.116 -19.171 -29.879 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.276 -18.535 -31.504 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.703 -19.848 -32.231 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.911 -20.458 -30.601 1.00 25.00 H new ATOM 0 HE2 LYS A 28 0.757 -22.173 -31.813 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -0.432 -21.441 -30.753 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -1.270 -21.763 -33.033 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 -1.271 -20.121 -32.598 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 -0.068 -20.724 -33.634 1.00 25.00 H new ATOM 445 N GLY A 29 0.392 -14.576 -30.774 1.00 25.00 N ATOM 446 CA GLY A 29 -0.427 -13.626 -31.502 1.00 25.00 C ATOM 447 C GLY A 29 -0.896 -12.466 -30.639 1.00 25.00 C ATOM 448 O GLY A 29 -1.186 -11.401 -31.162 1.00 25.00 O ATOM 0 H GLY A 29 1.329 -14.239 -30.554 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.141 -13.237 -32.347 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.295 -14.142 -31.912 1.00 25.00 H new ATOM 452 N ASP A 30 -0.933 -12.653 -29.328 1.00 25.00 N ATOM 453 CA ASP A 30 -1.393 -11.615 -28.402 1.00 25.00 C ATOM 454 C ASP A 30 -0.396 -10.453 -28.298 1.00 25.00 C ATOM 455 O ASP A 30 0.793 -10.608 -28.631 1.00 25.00 O ATOM 456 CB ASP A 30 -1.601 -12.234 -27.015 1.00 25.00 C ATOM 457 CG ASP A 30 -2.727 -11.575 -26.243 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.175 -10.478 -26.629 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.219 -12.209 -25.282 1.00 25.00 O ATOM 0 H ASP A 30 -0.648 -13.520 -28.873 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.330 -11.213 -28.787 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.815 -13.297 -27.125 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.677 -12.152 -26.443 1.00 25.00 H new ATOM 464 N ILE A 31 -0.886 -9.296 -27.873 1.00 25.00 N ATOM 465 CA ILE A 31 -0.099 -8.056 -27.821 1.00 25.00 C ATOM 466 C ILE A 31 0.008 -7.565 -26.376 1.00 25.00 C ATOM 467 O ILE A 31 -1.009 -7.394 -25.711 1.00 25.00 O ATOM 468 CB ILE A 31 -0.788 -6.908 -28.636 1.00 25.00 C ATOM 469 CG1 ILE A 31 -1.156 -7.369 -30.061 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.127 -5.654 -28.675 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.014 -7.694 -30.965 1.00 25.00 C ATOM 0 H ILE A 31 -1.847 -9.183 -27.551 1.00 25.00 H new ATOM 0 HA ILE A 31 0.880 -8.283 -28.242 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.718 -6.645 -28.131 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.790 -8.252 -29.986 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.752 -6.588 -30.534 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.363 -4.864 -29.244 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.313 -5.307 -27.658 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.074 -5.909 -29.150 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.356 -8.007 -31.941 1.00 25.00 H new ATOM 0 HD12 ILE A 31 0.641 -6.810 -31.081 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.601 -8.500 -30.524 1.00 25.00 H new ATOM 483 N MET A 32 1.225 -7.324 -25.893 1.00 25.00 N ATOM 484 CA MET A 32 1.436 -6.857 -24.521 1.00 25.00 C ATOM 485 C MET A 32 2.392 -5.679 -24.485 1.00 25.00 C ATOM 486 O MET A 32 3.278 -5.553 -25.339 1.00 25.00 O ATOM 487 CB MET A 32 1.965 -8.001 -23.655 1.00 25.00 C ATOM 488 CG MET A 32 3.245 -8.631 -24.168 1.00 25.00 C ATOM 489 SD MET A 32 3.274 -10.392 -23.839 1.00 25.00 S ATOM 490 CE MET A 32 2.063 -11.003 -25.038 1.00 25.00 C ATOM 0 H MET A 32 2.083 -7.444 -26.431 1.00 25.00 H new ATOM 0 HA MET A 32 0.478 -6.522 -24.122 1.00 25.00 H new ATOM 0 HB2 MET A 32 2.137 -7.628 -22.645 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.198 -8.772 -23.583 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.335 -8.457 -25.240 1.00 25.00 H new ATOM 0 HG3 MET A 32 4.104 -8.155 -23.694 1.00 25.00 H new ATOM 0 HE1 MET A 32 2.015 -12.091 -24.985 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.082 -10.585 -24.810 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.361 -10.702 -26.042 1.00 25.00 H new ATOM 500 N THR A 33 2.226 -4.823 -23.485 1.00 25.00 N ATOM 501 CA THR A 33 3.088 -3.652 -23.330 1.00 25.00 C ATOM 502 C THR A 33 4.234 -4.037 -22.408 1.00 25.00 C ATOM 503 O THR A 33 4.000 -4.553 -21.316 1.00 25.00 O ATOM 504 CB THR A 33 2.310 -2.479 -22.695 1.00 25.00 C ATOM 505 OG1 THR A 33 1.117 -2.239 -23.446 1.00 25.00 O ATOM 506 CG2 THR A 33 3.127 -1.193 -22.707 1.00 25.00 C ATOM 0 H THR A 33 1.505 -4.915 -22.769 1.00 25.00 H new ATOM 0 HA THR A 33 3.452 -3.336 -24.308 1.00 25.00 H new ATOM 0 HB THR A 33 2.085 -2.754 -21.665 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.621 -1.496 -23.043 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.548 -0.390 -22.252 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.047 -1.341 -22.142 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.372 -0.927 -23.735 1.00 25.00 H new ATOM 514 N VAL A 34 5.460 -3.787 -22.841 1.00 25.00 N ATOM 515 CA VAL A 34 6.654 -4.076 -22.041 1.00 25.00 C ATOM 516 C VAL A 34 6.964 -2.833 -21.213 1.00 25.00 C ATOM 517 O VAL A 34 7.066 -1.728 -21.743 1.00 25.00 O ATOM 518 CB VAL A 34 7.866 -4.443 -22.941 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.144 -4.658 -22.107 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.583 -5.726 -23.737 1.00 25.00 C ATOM 0 H VAL A 34 5.662 -3.379 -23.754 1.00 25.00 H new ATOM 0 HA VAL A 34 6.467 -4.935 -21.396 1.00 25.00 H new ATOM 0 HB VAL A 34 8.019 -3.607 -23.623 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.972 -4.913 -22.769 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.382 -3.743 -21.564 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.983 -5.470 -21.398 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.445 -5.965 -24.361 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.395 -6.549 -23.047 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.708 -5.576 -24.369 1.00 25.00 H new ATOM 530 N LEU A 35 7.056 -3.017 -19.907 1.00 25.00 N ATOM 531 CA LEU A 35 7.272 -1.923 -18.966 1.00 25.00 C ATOM 532 C LEU A 35 8.699 -1.852 -18.473 1.00 25.00 C ATOM 533 O LEU A 35 9.199 -0.771 -18.197 1.00 25.00 O ATOM 534 CB LEU A 35 6.371 -2.118 -17.742 1.00 25.00 C ATOM 535 CG LEU A 35 4.859 -2.255 -17.985 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.166 -2.624 -16.675 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.243 -0.961 -18.552 1.00 25.00 C ATOM 0 H LEU A 35 6.983 -3.933 -19.464 1.00 25.00 H new ATOM 0 HA LEU A 35 7.041 -1.001 -19.499 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.709 -3.010 -17.215 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.528 -1.273 -17.071 1.00 25.00 H new ATOM 0 HG LEU A 35 4.710 -3.041 -18.726 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.094 -2.722 -16.845 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.563 -3.570 -16.308 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.346 -1.844 -15.936 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.174 -1.105 -18.708 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.401 -0.144 -17.848 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.718 -0.718 -19.502 1.00 25.00 H new ATOM 549 N GLU A 36 9.321 -3.011 -18.353 1.00 25.00 N ATOM 550 CA GLU A 36 10.688 -3.117 -17.866 1.00 25.00 C ATOM 551 C GLU A 36 11.340 -4.327 -18.512 1.00 25.00 C ATOM 552 O GLU A 36 10.641 -5.197 -19.029 1.00 25.00 O ATOM 553 CB GLU A 36 10.697 -3.271 -16.335 1.00 25.00 C ATOM 554 CG GLU A 36 11.568 -2.242 -15.622 1.00 25.00 C ATOM 555 CD GLU A 36 13.044 -2.397 -15.957 1.00 25.00 C ATOM 556 OE1 GLU A 36 13.784 -2.929 -15.115 1.00 25.00 O ATOM 557 OE2 GLU A 36 13.469 -2.018 -17.085 1.00 25.00 O ATOM 0 H GLU A 36 8.894 -3.907 -18.590 1.00 25.00 H new ATOM 0 HA GLU A 36 11.241 -2.214 -18.124 1.00 25.00 H new ATOM 0 HB2 GLU A 36 9.675 -3.189 -15.964 1.00 25.00 H new ATOM 0 HB3 GLU A 36 11.049 -4.271 -16.081 1.00 25.00 H new ATOM 0 HG2 GLU A 36 11.240 -1.240 -15.897 1.00 25.00 H new ATOM 0 HG3 GLU A 36 11.431 -2.338 -14.545 1.00 25.00 H new ATOM 564 N ARG A 37 12.663 -4.396 -18.494 1.00 25.00 N ATOM 565 CA ARG A 37 13.383 -5.534 -19.056 1.00 25.00 C ATOM 566 C ARG A 37 14.441 -5.960 -18.072 1.00 25.00 C ATOM 567 O ARG A 37 14.999 -5.132 -17.394 1.00 25.00 O ATOM 568 CB ARG A 37 14.060 -5.163 -20.375 1.00 25.00 C ATOM 569 CG ARG A 37 13.102 -4.835 -21.502 1.00 25.00 C ATOM 570 CD ARG A 37 13.837 -4.614 -22.833 1.00 25.00 C ATOM 571 NE ARG A 37 14.656 -3.389 -22.817 1.00 25.00 N ATOM 572 CZ ARG A 37 15.966 -3.338 -22.546 1.00 25.00 C ATOM 573 NH1 ARG A 37 16.679 -4.400 -22.252 1.00 25.00 N ATOM 574 NH2 ARG A 37 16.571 -2.183 -22.561 1.00 25.00 N ATOM 0 H ARG A 37 13.264 -3.675 -18.095 1.00 25.00 H new ATOM 0 HA ARG A 37 12.674 -6.339 -19.247 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.710 -4.305 -20.206 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.698 -5.990 -20.687 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.383 -5.646 -21.615 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.535 -3.940 -21.247 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.475 -5.473 -23.042 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.110 -4.553 -23.643 1.00 25.00 H new ATOM 0 HE ARG A 37 14.187 -2.509 -23.030 1.00 25.00 H new ATOM 0 HH11 ARG A 37 16.237 -5.319 -22.222 1.00 25.00 H new ATOM 0 HH12 ARG A 37 17.675 -4.307 -22.053 1.00 25.00 H new ATOM 0 HH21 ARG A 37 16.046 -1.335 -22.777 1.00 25.00 H new ATOM 0 HH22 ARG A 37 17.569 -2.127 -22.357 1.00 25.00 H new ATOM 588 N ASP A 38 14.674 -7.262 -18.000 1.00 25.00 N ATOM 589 CA ASP A 38 15.669 -7.863 -17.104 1.00 25.00 C ATOM 590 C ASP A 38 15.271 -7.506 -15.666 1.00 25.00 C ATOM 591 O ASP A 38 16.083 -7.342 -14.758 1.00 25.00 O ATOM 592 CB ASP A 38 17.086 -7.437 -17.526 1.00 25.00 C ATOM 593 CG ASP A 38 17.272 -7.523 -19.042 1.00 25.00 C ATOM 594 OD1 ASP A 38 16.823 -8.537 -19.643 1.00 25.00 O ATOM 595 OD2 ASP A 38 17.737 -6.540 -19.661 1.00 25.00 O ATOM 0 H ASP A 38 14.174 -7.946 -18.568 1.00 25.00 H new ATOM 0 HA ASP A 38 15.688 -8.951 -17.166 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.274 -6.416 -17.193 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.820 -8.074 -17.032 1.00 25.00 H new ATOM 600 N THR A 39 13.955 -7.424 -15.499 1.00 25.00 N ATOM 601 CA THR A 39 13.292 -6.919 -14.291 1.00 25.00 C ATOM 602 C THR A 39 13.459 -7.783 -13.051 1.00 25.00 C ATOM 603 O THR A 39 13.164 -7.347 -11.939 1.00 25.00 O ATOM 604 CB THR A 39 11.753 -6.809 -14.572 1.00 25.00 C ATOM 605 OG1 THR A 39 11.107 -6.131 -13.486 1.00 25.00 O ATOM 606 CG2 THR A 39 11.103 -8.206 -14.738 1.00 25.00 C ATOM 0 H THR A 39 13.295 -7.715 -16.221 1.00 25.00 H new ATOM 0 HA THR A 39 13.769 -5.962 -14.079 1.00 25.00 H new ATOM 0 HB THR A 39 11.628 -6.251 -15.500 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.582 -6.324 -12.651 1.00 25.00 H new ATOM 0 HG21 THR A 39 10.037 -8.090 -14.931 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.569 -8.727 -15.574 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.246 -8.784 -13.825 1.00 25.00 H new ATOM 614 N GLN A 40 13.913 -9.010 -13.241 1.00 25.00 N ATOM 615 CA GLN A 40 14.051 -9.957 -12.139 1.00 25.00 C ATOM 616 C GLN A 40 15.535 -10.202 -11.875 1.00 25.00 C ATOM 617 O GLN A 40 15.904 -11.102 -11.130 1.00 25.00 O ATOM 618 CB GLN A 40 13.338 -11.269 -12.508 1.00 25.00 C ATOM 619 CG GLN A 40 12.601 -11.948 -11.343 1.00 25.00 C ATOM 620 CD GLN A 40 11.205 -11.374 -11.100 1.00 25.00 C ATOM 621 OE1 GLN A 40 10.922 -10.238 -11.443 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.331 -12.166 -10.522 1.00 25.00 N ATOM 0 H GLN A 40 14.194 -9.378 -14.150 1.00 25.00 H new ATOM 0 HA GLN A 40 13.595 -9.556 -11.234 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.622 -11.066 -13.304 1.00 25.00 H new ATOM 0 HB3 GLN A 40 14.073 -11.966 -12.910 1.00 25.00 H new ATOM 0 HG2 GLN A 40 12.518 -13.016 -11.547 1.00 25.00 H new ATOM 0 HG3 GLN A 40 13.194 -11.842 -10.435 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.602 -13.111 -10.248 1.00 25.00 H new ATOM 0 HE22 GLN A 40 9.382 -11.837 -10.347 1.00 25.00 H new ATOM 631 N GLY A 41 16.382 -9.453 -12.565 1.00 25.00 N ATOM 632 CA GLY A 41 17.820 -9.679 -12.495 1.00 25.00 C ATOM 633 C GLY A 41 18.212 -10.776 -13.474 1.00 25.00 C ATOM 634 O GLY A 41 19.389 -11.057 -13.691 1.00 25.00 O ATOM 0 H GLY A 41 16.102 -8.687 -13.177 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.355 -8.759 -12.731 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.105 -9.963 -11.482 1.00 25.00 H new ATOM 638 N LEU A 42 17.200 -11.392 -14.069 1.00 25.00 N ATOM 639 CA LEU A 42 17.389 -12.449 -15.048 1.00 25.00 C ATOM 640 C LEU A 42 17.383 -11.837 -16.433 1.00 25.00 C ATOM 641 O LEU A 42 16.366 -11.269 -16.869 1.00 25.00 O ATOM 642 CB LEU A 42 16.273 -13.505 -14.943 1.00 25.00 C ATOM 643 CG LEU A 42 16.121 -14.223 -13.603 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.900 -15.152 -13.646 1.00 25.00 C ATOM 645 CD2 LEU A 42 17.367 -15.035 -13.234 1.00 25.00 C ATOM 0 H LEU A 42 16.222 -11.170 -13.884 1.00 25.00 H new ATOM 0 HA LEU A 42 18.341 -12.943 -14.856 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.325 -13.020 -15.177 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.445 -14.257 -15.713 1.00 25.00 H new ATOM 0 HG LEU A 42 15.986 -13.458 -12.839 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.796 -15.661 -12.688 1.00 25.00 H new ATOM 0 HD12 LEU A 42 14.003 -14.565 -13.844 1.00 25.00 H new ATOM 0 HD13 LEU A 42 15.032 -15.890 -14.437 1.00 25.00 H new ATOM 0 HD21 LEU A 42 17.210 -15.526 -12.274 1.00 25.00 H new ATOM 0 HD22 LEU A 42 17.551 -15.787 -14.001 1.00 25.00 H new ATOM 0 HD23 LEU A 42 18.228 -14.370 -13.164 1.00 25.00 H new ATOM 657 N ASP A 43 18.514 -11.925 -17.113 1.00 25.00 N ATOM 658 CA ASP A 43 18.661 -11.377 -18.456 1.00 25.00 C ATOM 659 C ASP A 43 17.674 -12.091 -19.379 1.00 25.00 C ATOM 660 O ASP A 43 17.549 -13.324 -19.359 1.00 25.00 O ATOM 661 CB ASP A 43 20.110 -11.557 -18.941 1.00 25.00 C ATOM 662 CG ASP A 43 20.426 -10.774 -20.216 1.00 25.00 C ATOM 663 OD1 ASP A 43 21.429 -10.036 -20.220 1.00 25.00 O ATOM 664 OD2 ASP A 43 19.704 -10.929 -21.223 1.00 25.00 O ATOM 0 H ASP A 43 19.355 -12.376 -16.753 1.00 25.00 H new ATOM 0 HA ASP A 43 18.444 -10.309 -18.458 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.791 -11.241 -18.151 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.297 -12.616 -19.118 1.00 25.00 H new ATOM 669 N GLY A 44 16.955 -11.317 -20.166 1.00 25.00 N ATOM 670 CA GLY A 44 16.037 -11.867 -21.137 1.00 25.00 C ATOM 671 C GLY A 44 14.608 -12.006 -20.644 1.00 25.00 C ATOM 672 O GLY A 44 13.759 -12.450 -21.407 1.00 25.00 O ATOM 0 H GLY A 44 16.991 -10.298 -20.150 1.00 25.00 H new ATOM 0 HA2 GLY A 44 16.042 -11.232 -22.023 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.399 -12.848 -21.445 1.00 25.00 H new ATOM 676 N TRP A 45 14.325 -11.636 -19.405 1.00 25.00 N ATOM 677 CA TRP A 45 12.955 -11.697 -18.868 1.00 25.00 C ATOM 678 C TRP A 45 12.383 -10.291 -18.770 1.00 25.00 C ATOM 679 O TRP A 45 12.990 -9.424 -18.169 1.00 25.00 O ATOM 680 CB TRP A 45 12.950 -12.366 -17.499 1.00 25.00 C ATOM 681 CG TRP A 45 13.012 -13.856 -17.610 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.115 -14.636 -17.724 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.894 -14.767 -17.628 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.789 -15.959 -17.798 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.430 -16.087 -17.744 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.498 -14.605 -17.543 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.604 -17.231 -17.776 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.667 -15.756 -17.565 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.232 -17.050 -17.686 1.00 25.00 C ATOM 0 H TRP A 45 15.020 -11.288 -18.744 1.00 25.00 H new ATOM 0 HA TRP A 45 12.335 -12.290 -19.541 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.799 -12.009 -16.917 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.049 -12.079 -16.957 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.126 -14.257 -17.753 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.453 -16.729 -17.880 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.065 -13.619 -17.462 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.029 -18.220 -17.868 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.595 -15.644 -17.489 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.582 -17.912 -17.709 1.00 25.00 H new ATOM 700 N TRP A 46 11.241 -10.045 -19.389 1.00 25.00 N ATOM 701 CA TRP A 46 10.686 -8.699 -19.447 1.00 25.00 C ATOM 702 C TRP A 46 9.420 -8.598 -18.614 1.00 25.00 C ATOM 703 O TRP A 46 8.609 -9.538 -18.592 1.00 25.00 O ATOM 704 CB TRP A 46 10.381 -8.324 -20.901 1.00 25.00 C ATOM 705 CG TRP A 46 11.601 -8.299 -21.805 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.899 -8.481 -21.457 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.616 -8.087 -23.230 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.724 -8.415 -22.539 1.00 25.00 N ATOM 709 CE2 TRP A 46 12.977 -8.171 -23.655 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.617 -7.856 -24.198 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.361 -8.001 -25.003 1.00 25.00 C ATOM 712 CZ3 TRP A 46 10.996 -7.698 -25.553 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.370 -7.773 -25.942 1.00 25.00 C ATOM 0 H TRP A 46 10.680 -10.756 -19.858 1.00 25.00 H new ATOM 0 HA TRP A 46 11.423 -8.007 -19.039 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.658 -9.034 -21.304 1.00 25.00 H new ATOM 0 HB3 TRP A 46 9.908 -7.342 -20.920 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.237 -8.657 -20.446 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.737 -8.530 -22.518 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.578 -7.800 -23.910 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.400 -8.048 -25.294 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.238 -7.519 -26.302 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.638 -7.650 -26.981 1.00 25.00 H new ATOM 724 N LEU A 47 9.213 -7.443 -18.003 1.00 25.00 N ATOM 725 CA LEU A 47 7.987 -7.172 -17.257 1.00 25.00 C ATOM 726 C LEU A 47 6.992 -6.688 -18.278 1.00 25.00 C ATOM 727 O LEU A 47 7.204 -5.625 -18.894 1.00 25.00 O ATOM 728 CB LEU A 47 8.189 -6.083 -16.201 1.00 25.00 C ATOM 729 CG LEU A 47 6.971 -5.791 -15.294 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.587 -7.007 -14.435 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.299 -4.608 -14.396 1.00 25.00 C ATOM 0 H LEU A 47 9.880 -6.672 -18.007 1.00 25.00 H new ATOM 0 HA LEU A 47 7.659 -8.068 -16.730 1.00 25.00 H new ATOM 0 HB2 LEU A 47 9.029 -6.368 -15.568 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.471 -5.160 -16.708 1.00 25.00 H new ATOM 0 HG LEU A 47 6.117 -5.562 -15.932 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.727 -6.757 -13.814 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.334 -7.846 -15.084 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.427 -7.282 -13.797 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.447 -4.393 -13.752 1.00 25.00 H new ATOM 0 HD22 LEU A 47 8.167 -4.847 -13.782 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.519 -3.735 -15.010 1.00 25.00 H new ATOM 743 N CYS A 48 5.936 -7.456 -18.495 1.00 25.00 N ATOM 744 CA CYS A 48 4.937 -7.111 -19.490 1.00 25.00 C ATOM 745 C CYS A 48 3.597 -6.949 -18.832 1.00 25.00 C ATOM 746 O CYS A 48 3.356 -7.517 -17.777 1.00 25.00 O ATOM 747 CB CYS A 48 4.867 -8.203 -20.543 1.00 25.00 C ATOM 748 SG CYS A 48 6.452 -8.458 -21.346 1.00 25.00 S ATOM 0 H CYS A 48 5.750 -8.324 -17.993 1.00 25.00 H new ATOM 0 HA CYS A 48 5.214 -6.171 -19.967 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.540 -9.134 -20.080 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.119 -7.939 -21.291 1.00 25.00 H new ATOM 0 HG CYS A 48 7.326 -8.848 -20.467 1.00 25.00 H new ATOM 754 N SER A 49 2.709 -6.207 -19.466 1.00 25.00 N ATOM 755 CA SER A 49 1.357 -6.013 -18.962 1.00 25.00 C ATOM 756 C SER A 49 0.385 -6.450 -20.047 1.00 25.00 C ATOM 757 O SER A 49 0.544 -6.107 -21.223 1.00 25.00 O ATOM 758 CB SER A 49 1.138 -4.557 -18.562 1.00 25.00 C ATOM 759 OG SER A 49 1.551 -3.682 -19.593 1.00 25.00 O ATOM 0 H SER A 49 2.901 -5.722 -20.342 1.00 25.00 H new ATOM 0 HA SER A 49 1.193 -6.612 -18.066 1.00 25.00 H new ATOM 0 HB2 SER A 49 0.084 -4.392 -18.340 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.694 -4.339 -17.650 1.00 25.00 H new ATOM 0 HG SER A 49 1.400 -2.754 -19.315 1.00 25.00 H new ATOM 765 N LEU A 50 -0.569 -7.277 -19.639 1.00 25.00 N ATOM 766 CA LEU A 50 -1.532 -7.899 -20.537 1.00 25.00 C ATOM 767 C LEU A 50 -2.818 -8.169 -19.761 1.00 25.00 C ATOM 768 O LEU A 50 -2.772 -8.608 -18.613 1.00 25.00 O ATOM 769 CB LEU A 50 -0.954 -9.220 -21.065 1.00 25.00 C ATOM 770 CG LEU A 50 -1.838 -10.019 -22.039 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.077 -9.250 -23.331 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.167 -11.339 -22.346 1.00 25.00 C ATOM 0 H LEU A 50 -0.697 -7.538 -18.661 1.00 25.00 H new ATOM 0 HA LEU A 50 -1.742 -7.241 -21.380 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.009 -9.003 -21.563 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.726 -9.858 -20.211 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.806 -10.189 -21.568 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.705 -9.843 -23.996 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.575 -8.307 -23.106 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.122 -9.049 -23.817 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.788 -11.911 -23.036 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.194 -11.155 -22.801 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -1.035 -11.904 -21.423 1.00 25.00 H new ATOM 784 N HIS A 51 -3.957 -7.895 -20.389 1.00 25.00 N ATOM 785 CA HIS A 51 -5.276 -8.183 -19.809 1.00 25.00 C ATOM 786 C HIS A 51 -5.499 -7.546 -18.418 1.00 25.00 C ATOM 787 O HIS A 51 -6.151 -8.113 -17.554 1.00 25.00 O ATOM 788 CB HIS A 51 -5.478 -9.706 -19.770 1.00 25.00 C ATOM 789 CG HIS A 51 -6.914 -10.118 -19.806 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.638 -10.303 -20.959 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.783 -10.391 -18.796 1.00 25.00 C ATOM 792 CE1 HIS A 51 -8.874 -10.650 -20.622 1.00 25.00 C ATOM 793 NE2 HIS A 51 -9.021 -10.728 -19.316 1.00 25.00 N ATOM 0 H HIS A 51 -3.998 -7.467 -21.314 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.027 -7.721 -20.449 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.958 -10.155 -20.616 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -5.017 -10.103 -18.865 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -7.543 -10.351 -17.744 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -9.663 -10.845 -21.333 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -9.863 -10.981 -18.800 1.00 25.00 H new ATOM 801 N GLY A 52 -4.929 -6.371 -18.208 1.00 25.00 N ATOM 802 CA GLY A 52 -5.124 -5.652 -16.952 1.00 25.00 C ATOM 803 C GLY A 52 -4.242 -6.121 -15.804 1.00 25.00 C ATOM 804 O GLY A 52 -4.412 -5.677 -14.675 1.00 25.00 O ATOM 0 H GLY A 52 -4.331 -5.894 -18.883 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.939 -4.592 -17.124 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.168 -5.749 -16.653 1.00 25.00 H new ATOM 808 N ARG A 53 -3.303 -7.016 -16.091 1.00 25.00 N ATOM 809 CA ARG A 53 -2.381 -7.545 -15.087 1.00 25.00 C ATOM 810 C ARG A 53 -0.973 -7.386 -15.624 1.00 25.00 C ATOM 811 O ARG A 53 -0.814 -7.210 -16.827 1.00 25.00 O ATOM 812 CB ARG A 53 -2.663 -9.030 -14.848 1.00 25.00 C ATOM 813 CG ARG A 53 -4.129 -9.343 -14.594 1.00 25.00 C ATOM 814 CD ARG A 53 -4.310 -10.807 -14.281 1.00 25.00 C ATOM 815 NE ARG A 53 -5.730 -11.197 -14.315 1.00 25.00 N ATOM 816 CZ ARG A 53 -6.203 -12.391 -13.977 1.00 25.00 C ATOM 817 NH1 ARG A 53 -5.429 -13.359 -13.552 1.00 25.00 N ATOM 818 NH2 ARG A 53 -7.480 -12.611 -14.075 1.00 25.00 N ATOM 0 H ARG A 53 -3.158 -7.397 -17.026 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.503 -7.009 -14.146 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.325 -9.599 -15.714 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -2.076 -9.369 -13.995 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -4.497 -8.739 -13.764 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.721 -9.076 -15.470 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -3.750 -11.405 -15.000 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -3.896 -11.023 -13.296 1.00 25.00 H new ATOM 0 HE ARG A 53 -6.403 -10.495 -14.622 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -4.423 -13.210 -13.471 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -5.832 -14.262 -13.302 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -8.101 -11.873 -14.407 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -7.862 -13.522 -13.820 1.00 25.00 H new ATOM 832 N GLN A 54 0.038 -7.489 -14.776 1.00 25.00 N ATOM 833 CA GLN A 54 1.425 -7.485 -15.241 1.00 25.00 C ATOM 834 C GLN A 54 2.101 -8.737 -14.715 1.00 25.00 C ATOM 835 O GLN A 54 1.634 -9.317 -13.742 1.00 25.00 O ATOM 836 CB GLN A 54 2.170 -6.199 -14.815 1.00 25.00 C ATOM 837 CG GLN A 54 2.769 -6.169 -13.380 1.00 25.00 C ATOM 838 CD GLN A 54 1.784 -5.729 -12.318 1.00 25.00 C ATOM 839 OE1 GLN A 54 0.610 -6.067 -12.347 1.00 25.00 O ATOM 840 NE2 GLN A 54 2.254 -4.945 -11.387 1.00 25.00 N ATOM 0 H GLN A 54 -0.070 -7.576 -13.765 1.00 25.00 H new ATOM 0 HA GLN A 54 1.449 -7.489 -16.331 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.980 -6.027 -15.523 1.00 25.00 H new ATOM 0 HB3 GLN A 54 1.480 -5.361 -14.911 1.00 25.00 H new ATOM 0 HG2 GLN A 54 3.139 -7.163 -13.130 1.00 25.00 H new ATOM 0 HG3 GLN A 54 3.627 -5.497 -13.368 1.00 25.00 H new ATOM 0 HE21 GLN A 54 3.239 -4.682 -11.392 1.00 25.00 H new ATOM 0 HE22 GLN A 54 1.636 -4.595 -10.655 1.00 25.00 H new ATOM 849 N GLY A 55 3.182 -9.161 -15.357 1.00 25.00 N ATOM 850 CA GLY A 55 3.897 -10.346 -14.936 1.00 25.00 C ATOM 851 C GLY A 55 5.138 -10.510 -15.778 1.00 25.00 C ATOM 852 O GLY A 55 5.342 -9.753 -16.738 1.00 25.00 O ATOM 0 H GLY A 55 3.579 -8.696 -16.173 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.167 -10.266 -13.883 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.258 -11.224 -15.036 1.00 25.00 H new ATOM 856 N ILE A 56 5.988 -11.460 -15.429 1.00 25.00 N ATOM 857 CA ILE A 56 7.220 -11.680 -16.172 1.00 25.00 C ATOM 858 C ILE A 56 6.939 -12.574 -17.381 1.00 25.00 C ATOM 859 O ILE A 56 6.078 -13.481 -17.344 1.00 25.00 O ATOM 860 CB ILE A 56 8.361 -12.273 -15.269 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.024 -13.704 -14.783 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.598 -11.329 -14.058 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.155 -14.406 -14.004 1.00 25.00 C ATOM 0 H ILE A 56 5.850 -12.090 -14.639 1.00 25.00 H new ATOM 0 HA ILE A 56 7.582 -10.714 -16.523 1.00 25.00 H new ATOM 0 HB ILE A 56 9.271 -12.343 -15.865 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.139 -13.658 -14.148 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.764 -14.315 -15.648 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.389 -11.736 -13.428 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.892 -10.343 -14.417 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.679 -11.244 -13.477 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.827 -15.402 -13.705 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.037 -14.490 -14.639 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.402 -13.823 -13.116 1.00 25.00 H new ATOM 875 N VAL A 57 7.626 -12.268 -18.472 1.00 25.00 N ATOM 876 CA VAL A 57 7.483 -12.979 -19.732 1.00 25.00 C ATOM 877 C VAL A 57 8.867 -13.157 -20.319 1.00 25.00 C ATOM 878 O VAL A 57 9.645 -12.191 -20.359 1.00 25.00 O ATOM 879 CB VAL A 57 6.615 -12.144 -20.725 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.635 -12.757 -22.122 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.172 -12.038 -20.223 1.00 25.00 C ATOM 0 H VAL A 57 8.307 -11.509 -18.506 1.00 25.00 H new ATOM 0 HA VAL A 57 6.998 -13.941 -19.565 1.00 25.00 H new ATOM 0 HB VAL A 57 7.045 -11.144 -20.781 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.022 -12.155 -22.792 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.660 -12.784 -22.493 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.238 -13.771 -22.080 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.583 -11.452 -20.929 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.744 -13.036 -20.134 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.161 -11.550 -19.248 1.00 25.00 H new ATOM 891 N PRO A 58 9.207 -14.365 -20.805 1.00 25.00 N ATOM 892 CA PRO A 58 10.527 -14.417 -21.445 1.00 25.00 C ATOM 893 C PRO A 58 10.544 -13.589 -22.733 1.00 25.00 C ATOM 894 O PRO A 58 9.784 -13.833 -23.671 1.00 25.00 O ATOM 895 CB PRO A 58 10.726 -15.913 -21.714 1.00 25.00 C ATOM 896 CG PRO A 58 9.369 -16.467 -21.826 1.00 25.00 C ATOM 897 CD PRO A 58 8.522 -15.675 -20.870 1.00 25.00 C ATOM 0 HA PRO A 58 11.325 -13.996 -20.834 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.295 -16.076 -22.629 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.280 -16.389 -20.905 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.994 -16.379 -22.846 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.357 -17.527 -21.572 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.498 -15.575 -21.229 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.471 -16.150 -19.890 1.00 25.00 H new ATOM 905 N GLY A 59 11.406 -12.590 -22.764 1.00 25.00 N ATOM 906 CA GLY A 59 11.441 -11.631 -23.862 1.00 25.00 C ATOM 907 C GLY A 59 11.845 -12.219 -25.188 1.00 25.00 C ATOM 908 O GLY A 59 11.428 -11.738 -26.232 1.00 25.00 O ATOM 0 H GLY A 59 12.099 -12.417 -22.036 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.455 -11.178 -23.964 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.135 -10.830 -23.607 1.00 25.00 H new ATOM 912 N ASN A 60 12.612 -13.293 -25.171 1.00 25.00 N ATOM 913 CA ASN A 60 13.016 -13.926 -26.425 1.00 25.00 C ATOM 914 C ASN A 60 11.830 -14.641 -27.099 1.00 25.00 C ATOM 915 O ASN A 60 11.924 -15.048 -28.247 1.00 25.00 O ATOM 916 CB ASN A 60 14.168 -14.904 -26.197 1.00 25.00 C ATOM 917 CG ASN A 60 15.200 -14.854 -27.301 1.00 25.00 C ATOM 918 OD1 ASN A 60 16.344 -14.532 -27.072 1.00 25.00 O ATOM 919 ND2 ASN A 60 14.794 -15.159 -28.498 1.00 25.00 N ATOM 0 H ASN A 60 12.965 -13.742 -24.326 1.00 25.00 H new ATOM 0 HA ASN A 60 13.360 -13.137 -27.094 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.648 -14.678 -25.245 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.771 -15.916 -26.121 1.00 25.00 H new ATOM 0 HD21 ASN A 60 15.447 -15.131 -29.281 1.00 25.00 H new ATOM 0 HD22 ASN A 60 13.822 -15.426 -28.654 1.00 25.00 H new ATOM 926 N ARG A 61 10.702 -14.772 -26.399 1.00 25.00 N ATOM 927 CA ARG A 61 9.482 -15.334 -27.005 1.00 25.00 C ATOM 928 C ARG A 61 8.610 -14.198 -27.557 1.00 25.00 C ATOM 929 O ARG A 61 7.496 -14.442 -28.027 1.00 25.00 O ATOM 930 CB ARG A 61 8.662 -16.162 -25.992 1.00 25.00 C ATOM 931 CG ARG A 61 9.286 -17.510 -25.634 1.00 25.00 C ATOM 932 CD ARG A 61 8.244 -18.398 -24.967 1.00 25.00 C ATOM 933 NE ARG A 61 8.736 -19.763 -24.697 1.00 25.00 N ATOM 934 CZ ARG A 61 7.994 -20.757 -24.207 1.00 25.00 C ATOM 935 NH1 ARG A 61 6.727 -20.604 -23.921 1.00 25.00 N ATOM 936 NH2 ARG A 61 8.539 -21.916 -24.005 1.00 25.00 N ATOM 0 H ARG A 61 10.602 -14.501 -25.421 1.00 25.00 H new ATOM 0 HA ARG A 61 9.791 -16.000 -27.811 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.537 -15.579 -25.080 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.666 -16.332 -26.401 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.669 -17.994 -26.532 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.134 -17.363 -24.965 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.930 -17.939 -24.029 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.362 -18.455 -25.605 1.00 25.00 H new ATOM 0 HE ARG A 61 9.716 -19.961 -24.900 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.276 -19.702 -24.071 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.190 -21.387 -23.548 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.526 -22.060 -24.220 1.00 25.00 H new ATOM 0 HH22 ARG A 61 7.981 -22.684 -23.631 1.00 25.00 H new ATOM 950 N LEU A 62 9.099 -12.972 -27.498 1.00 25.00 N ATOM 951 CA LEU A 62 8.352 -11.797 -27.950 1.00 25.00 C ATOM 952 C LEU A 62 9.070 -11.101 -29.089 1.00 25.00 C ATOM 953 O LEU A 62 10.267 -11.306 -29.297 1.00 25.00 O ATOM 954 CB LEU A 62 8.218 -10.785 -26.792 1.00 25.00 C ATOM 955 CG LEU A 62 7.514 -11.254 -25.510 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.524 -10.095 -24.521 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.082 -11.699 -25.792 1.00 25.00 C ATOM 0 H LEU A 62 10.027 -12.756 -27.135 1.00 25.00 H new ATOM 0 HA LEU A 62 7.373 -12.138 -28.286 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.220 -10.451 -26.521 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.682 -9.914 -27.169 1.00 25.00 H new ATOM 0 HG LEU A 62 8.041 -12.115 -25.098 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.029 -10.400 -23.599 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.554 -9.811 -24.304 1.00 25.00 H new ATOM 0 HD13 LEU A 62 6.996 -9.244 -24.952 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.613 -12.025 -24.864 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.518 -10.866 -26.211 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.091 -12.525 -26.503 1.00 25.00 H new ATOM 969 N LYS A 63 8.353 -10.218 -29.774 1.00 25.00 N ATOM 970 CA LYS A 63 8.955 -9.380 -30.808 1.00 25.00 C ATOM 971 C LYS A 63 8.434 -7.951 -30.690 1.00 25.00 C ATOM 972 O LYS A 63 7.234 -7.719 -30.844 1.00 25.00 O ATOM 973 CB LYS A 63 8.613 -9.943 -32.193 1.00 25.00 C ATOM 974 CG LYS A 63 9.376 -9.264 -33.321 1.00 25.00 C ATOM 975 CD LYS A 63 8.976 -9.829 -34.676 1.00 25.00 C ATOM 976 CE LYS A 63 9.827 -9.237 -35.791 1.00 25.00 C ATOM 977 NZ LYS A 63 11.257 -9.677 -35.652 1.00 25.00 N ATOM 0 H LYS A 63 7.355 -10.063 -29.633 1.00 25.00 H new ATOM 0 HA LYS A 63 10.037 -9.375 -30.677 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.830 -11.011 -32.208 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.543 -9.833 -32.369 1.00 25.00 H new ATOM 0 HG2 LYS A 63 9.182 -8.192 -33.300 1.00 25.00 H new ATOM 0 HG3 LYS A 63 10.447 -9.398 -33.171 1.00 25.00 H new ATOM 0 HD2 LYS A 63 9.086 -10.913 -34.668 1.00 25.00 H new ATOM 0 HD3 LYS A 63 7.924 -9.616 -34.866 1.00 25.00 H new ATOM 0 HE2 LYS A 63 9.437 -9.550 -36.759 1.00 25.00 H new ATOM 0 HE3 LYS A 63 9.771 -8.149 -35.761 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 11.759 -9.516 -36.549 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 11.716 -9.131 -34.895 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 11.287 -10.689 -35.415 1.00 25.00 H new ATOM 991 N ILE A 64 9.331 -7.012 -30.435 1.00 25.00 N ATOM 992 CA ILE A 64 8.974 -5.590 -30.322 1.00 25.00 C ATOM 993 C ILE A 64 8.391 -5.153 -31.659 1.00 25.00 C ATOM 994 O ILE A 64 8.917 -5.479 -32.731 1.00 25.00 O ATOM 995 CB ILE A 64 10.218 -4.712 -29.958 1.00 25.00 C ATOM 996 CG1 ILE A 64 10.760 -5.068 -28.560 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.877 -3.210 -30.026 1.00 25.00 C ATOM 998 CD1 ILE A 64 9.852 -4.641 -27.368 1.00 25.00 C ATOM 0 H ILE A 64 10.324 -7.203 -30.300 1.00 25.00 H new ATOM 0 HA ILE A 64 8.248 -5.458 -29.520 1.00 25.00 H new ATOM 0 HB ILE A 64 10.993 -4.925 -30.694 1.00 25.00 H new ATOM 0 HG12 ILE A 64 10.913 -6.146 -28.511 1.00 25.00 H new ATOM 0 HG13 ILE A 64 11.737 -4.601 -28.437 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.760 -2.625 -29.768 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.555 -2.955 -31.036 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.075 -2.987 -29.322 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.321 -4.936 -26.429 1.00 25.00 H new ATOM 0 HD12 ILE A 64 9.718 -3.559 -27.382 1.00 25.00 H new ATOM 0 HD13 ILE A 64 8.881 -5.128 -27.457 1.00 25.00 H new