USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 525 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.63 USER MOD Single : A 35 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.3!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -63:sc= 0 USER MOD Single : A 65 SER OG : rot 83:sc= 0.0525 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 5.785 -1.719 -2.231 1.00 1.22 N ATOM 19 CA LYS A 2 7.182 -1.337 -2.065 1.00 25.15 C ATOM 20 C LYS A 2 7.644 -0.448 -3.215 1.00 22.21 C ATOM 21 O LYS A 2 7.471 -0.790 -4.385 1.00 11.11 O ATOM 22 CB LYS A 2 8.067 -2.583 -1.982 1.00 73.43 C ATOM 23 CG LYS A 2 7.931 -3.340 -0.673 1.00 33.35 C ATOM 24 CD LYS A 2 8.910 -4.500 -0.594 1.00 55.14 C ATOM 25 CE LYS A 2 8.870 -5.172 0.769 1.00 35.24 C ATOM 26 NZ LYS A 2 10.231 -5.319 1.355 1.00 34.44 N ATOM 0 HA LYS A 2 7.270 -0.774 -1.136 1.00 25.15 H new ATOM 0 HB2 LYS A 2 7.817 -3.251 -2.806 1.00 73.43 H new ATOM 0 HB3 LYS A 2 9.108 -2.288 -2.115 1.00 73.43 H new ATOM 0 HG2 LYS A 2 8.104 -2.660 0.161 1.00 33.35 H new ATOM 0 HG3 LYS A 2 6.912 -3.715 -0.573 1.00 33.35 H new ATOM 0 HD2 LYS A 2 8.673 -5.230 -1.368 1.00 55.14 H new ATOM 0 HD3 LYS A 2 9.919 -4.140 -0.794 1.00 55.14 H new ATOM 0 HE2 LYS A 2 8.245 -4.587 1.444 1.00 35.24 H new ATOM 0 HE3 LYS A 2 8.407 -6.154 0.676 1.00 35.24 H new ATOM 0 HZ1 LYS A 2 10.161 -5.781 2.284 1.00 34.44 H new ATOM 0 HZ2 LYS A 2 10.820 -5.898 0.723 1.00 34.44 H new ATOM 0 HZ3 LYS A 2 10.664 -4.380 1.467 1.00 34.44 H new ATOM 40 N VAL A 3 8.234 0.693 -2.875 1.00 1.52 N ATOM 41 CA VAL A 3 8.723 1.630 -3.879 1.00 44.13 C ATOM 42 C VAL A 3 10.188 1.978 -3.639 1.00 61.02 C ATOM 43 O VAL A 3 10.617 2.150 -2.498 1.00 42.10 O ATOM 44 CB VAL A 3 7.894 2.928 -3.888 1.00 73.31 C ATOM 45 CG1 VAL A 3 8.149 3.716 -5.163 1.00 42.54 C ATOM 46 CG2 VAL A 3 6.413 2.614 -3.733 1.00 43.11 C ATOM 0 H VAL A 3 8.385 0.991 -1.911 1.00 1.52 H new ATOM 0 HA VAL A 3 8.623 1.137 -4.846 1.00 44.13 H new ATOM 0 HB VAL A 3 8.203 3.542 -3.042 1.00 73.31 H new ATOM 0 HG11 VAL A 3 7.555 4.630 -5.151 1.00 42.54 H new ATOM 0 HG12 VAL A 3 9.207 3.972 -5.227 1.00 42.54 H new ATOM 0 HG13 VAL A 3 7.869 3.112 -6.026 1.00 42.54 H new ATOM 0 HG21 VAL A 3 5.841 3.542 -3.741 1.00 43.11 H new ATOM 0 HG22 VAL A 3 6.087 1.980 -4.558 1.00 43.11 H new ATOM 0 HG23 VAL A 3 6.248 2.095 -2.789 1.00 43.11 H new ATOM 56 N TYR A 4 10.951 2.080 -4.722 1.00 1.53 N ATOM 57 CA TYR A 4 12.369 2.406 -4.629 1.00 43.22 C ATOM 58 C TYR A 4 12.700 3.640 -5.463 1.00 3.31 C ATOM 59 O TYR A 4 12.717 3.587 -6.693 1.00 13.23 O ATOM 60 CB TYR A 4 13.218 1.221 -5.093 1.00 74.02 C ATOM 61 CG TYR A 4 13.538 0.237 -3.991 1.00 13.03 C ATOM 62 CD1 TYR A 4 12.676 -0.812 -3.697 1.00 72.30 C ATOM 63 CD2 TYR A 4 14.703 0.356 -3.243 1.00 40.32 C ATOM 64 CE1 TYR A 4 12.964 -1.713 -2.690 1.00 50.01 C ATOM 65 CE2 TYR A 4 15.000 -0.541 -2.235 1.00 41.34 C ATOM 66 CZ TYR A 4 14.127 -1.573 -1.962 1.00 63.23 C ATOM 67 OH TYR A 4 14.419 -2.469 -0.959 1.00 73.24 O ATOM 0 H TYR A 4 10.611 1.942 -5.674 1.00 1.53 H new ATOM 0 HA TYR A 4 12.598 2.622 -3.586 1.00 43.22 H new ATOM 0 HB2 TYR A 4 12.692 0.699 -5.893 1.00 74.02 H new ATOM 0 HB3 TYR A 4 14.150 1.596 -5.516 1.00 74.02 H new ATOM 0 HD1 TYR A 4 11.765 -0.925 -4.266 1.00 72.30 H new ATOM 0 HD2 TYR A 4 15.388 1.164 -3.453 1.00 40.32 H new ATOM 0 HE1 TYR A 4 12.282 -2.522 -2.474 1.00 50.01 H new ATOM 0 HE2 TYR A 4 15.911 -0.435 -1.664 1.00 41.34 H new ATOM 0 HH TYR A 4 15.275 -2.230 -0.545 1.00 73.24 H new ATOM 77 N VAL A 5 12.965 4.752 -4.783 1.00 74.15 N ATOM 78 CA VAL A 5 13.297 6.000 -5.459 1.00 44.14 C ATOM 79 C VAL A 5 14.775 6.338 -5.294 1.00 32.13 C ATOM 80 O VAL A 5 15.206 6.780 -4.230 1.00 13.42 O ATOM 81 CB VAL A 5 12.451 7.171 -4.925 1.00 23.24 C ATOM 82 CG1 VAL A 5 11.022 7.073 -5.435 1.00 13.51 C ATOM 83 CG2 VAL A 5 12.483 7.199 -3.404 1.00 54.30 C ATOM 0 H VAL A 5 12.956 4.813 -3.765 1.00 74.15 H new ATOM 0 HA VAL A 5 13.076 5.855 -6.516 1.00 44.14 H new ATOM 0 HB VAL A 5 12.879 8.104 -5.292 1.00 23.24 H new ATOM 0 HG11 VAL A 5 10.439 7.909 -5.047 1.00 13.51 H new ATOM 0 HG12 VAL A 5 11.022 7.105 -6.525 1.00 13.51 H new ATOM 0 HG13 VAL A 5 10.579 6.135 -5.099 1.00 13.51 H new ATOM 0 HG21 VAL A 5 11.880 8.032 -3.043 1.00 54.30 H new ATOM 0 HG22 VAL A 5 12.080 6.264 -3.014 1.00 54.30 H new ATOM 0 HG23 VAL A 5 13.511 7.321 -3.064 1.00 54.30 H new ATOM 93 N GLY A 6 15.547 6.126 -6.355 1.00 5.20 N ATOM 94 CA GLY A 6 16.969 6.414 -6.307 1.00 20.02 C ATOM 95 C GLY A 6 17.342 7.632 -7.128 1.00 1.53 C ATOM 96 O GLY A 6 16.471 8.332 -7.642 1.00 42.54 O ATOM 0 H GLY A 6 15.214 5.760 -7.247 1.00 5.20 H new ATOM 0 HA2 GLY A 6 17.270 6.572 -5.271 1.00 20.02 H new ATOM 0 HA3 GLY A 6 17.524 5.550 -6.672 1.00 20.02 H new ATOM 100 N ASN A 7 18.641 7.887 -7.249 1.00 12.41 N ATOM 101 CA ASN A 7 19.127 9.032 -8.011 1.00 62.42 C ATOM 102 C ASN A 7 18.691 10.342 -7.363 1.00 51.22 C ATOM 103 O ASN A 7 17.802 11.031 -7.867 1.00 22.25 O ATOM 104 CB ASN A 7 18.615 8.966 -9.451 1.00 53.44 C ATOM 105 CG ASN A 7 19.625 8.345 -10.397 1.00 35.02 C ATOM 106 OD1 ASN A 7 20.153 9.014 -11.285 1.00 61.42 O ATOM 107 ND2 ASN A 7 19.897 7.059 -10.209 1.00 72.23 N ATOM 0 H ASN A 7 19.375 7.317 -6.830 1.00 12.41 H new ATOM 0 HA ASN A 7 20.216 8.997 -8.018 1.00 62.42 H new ATOM 0 HB2 ASN A 7 17.692 8.387 -9.479 1.00 53.44 H new ATOM 0 HB3 ASN A 7 18.371 9.972 -9.793 1.00 53.44 H new ATOM 0 HD21 ASN A 7 20.568 6.586 -10.814 1.00 72.23 H new ATOM 0 HD22 ASN A 7 19.435 6.544 -9.460 1.00 72.23 H new ATOM 114 N LEU A 8 19.322 10.681 -6.245 1.00 1.43 N ATOM 115 CA LEU A 8 19.000 11.910 -5.527 1.00 43.11 C ATOM 116 C LEU A 8 20.240 12.782 -5.357 1.00 42.24 C ATOM 117 O LEU A 8 20.945 12.688 -4.354 1.00 23.03 O ATOM 118 CB LEU A 8 18.402 11.583 -4.158 1.00 31.40 C ATOM 119 CG LEU A 8 17.271 10.554 -4.149 1.00 33.24 C ATOM 120 CD1 LEU A 8 17.236 9.811 -2.822 1.00 13.11 C ATOM 121 CD2 LEU A 8 15.934 11.228 -4.420 1.00 11.43 C ATOM 0 H LEU A 8 20.060 10.123 -5.815 1.00 1.43 H new ATOM 0 HA LEU A 8 18.267 12.463 -6.114 1.00 43.11 H new ATOM 0 HB2 LEU A 8 19.201 11.221 -3.512 1.00 31.40 H new ATOM 0 HB3 LEU A 8 18.029 12.507 -3.716 1.00 31.40 H new ATOM 0 HG LEU A 8 17.458 9.831 -4.943 1.00 33.24 H new ATOM 0 HD11 LEU A 8 16.425 9.083 -2.834 1.00 13.11 H new ATOM 0 HD12 LEU A 8 18.184 9.296 -2.668 1.00 13.11 H new ATOM 0 HD13 LEU A 8 17.074 10.521 -2.011 1.00 13.11 H new ATOM 0 HD21 LEU A 8 15.141 10.480 -4.410 1.00 11.43 H new ATOM 0 HD22 LEU A 8 15.740 11.974 -3.649 1.00 11.43 H new ATOM 0 HD23 LEU A 8 15.962 11.713 -5.395 1.00 11.43 H new ATOM 161 N ALA A 12 16.782 17.332 -5.245 1.00 53.54 N ATOM 162 CA ALA A 12 15.578 16.517 -5.141 1.00 1.03 C ATOM 163 C ALA A 12 15.803 15.323 -4.220 1.00 34.52 C ATOM 164 O ALA A 12 16.463 14.354 -4.593 1.00 40.01 O ATOM 165 CB ALA A 12 15.137 16.048 -6.519 1.00 61.42 C ATOM 0 HA ALA A 12 14.788 17.132 -4.710 1.00 1.03 H new ATOM 0 HB1 ALA A 12 14.237 15.440 -6.426 1.00 61.42 H new ATOM 0 HB2 ALA A 12 14.927 16.913 -7.148 1.00 61.42 H new ATOM 0 HB3 ALA A 12 15.930 15.454 -6.972 1.00 61.42 H new ATOM 171 N GLY A 13 15.249 15.399 -3.013 1.00 71.33 N ATOM 172 CA GLY A 13 15.401 14.317 -2.058 1.00 2.34 C ATOM 173 C GLY A 13 14.087 13.926 -1.411 1.00 25.04 C ATOM 174 O GLY A 13 13.108 13.640 -2.100 1.00 11.15 O ATOM 0 H GLY A 13 14.698 16.190 -2.680 1.00 71.33 H new ATOM 0 HA2 GLY A 13 15.827 13.449 -2.562 1.00 2.34 H new ATOM 0 HA3 GLY A 13 16.109 14.616 -1.285 1.00 2.34 H new ATOM 178 N LYS A 14 14.065 13.911 -0.082 1.00 44.01 N ATOM 179 CA LYS A 14 12.863 13.551 0.660 1.00 54.44 C ATOM 180 C LYS A 14 11.710 14.489 0.314 1.00 32.51 C ATOM 181 O LYS A 14 10.592 14.044 0.057 1.00 52.34 O ATOM 182 CB LYS A 14 13.135 13.594 2.165 1.00 40.11 C ATOM 183 CG LYS A 14 12.043 12.947 2.999 1.00 1.12 C ATOM 184 CD LYS A 14 11.213 13.986 3.734 1.00 2.31 C ATOM 185 CE LYS A 14 11.556 14.027 5.216 1.00 73.05 C ATOM 186 NZ LYS A 14 12.939 14.527 5.452 1.00 75.54 N ATOM 0 H LYS A 14 14.867 14.144 0.503 1.00 44.01 H new ATOM 0 HA LYS A 14 12.582 12.537 0.377 1.00 54.44 H new ATOM 0 HB2 LYS A 14 14.081 13.093 2.369 1.00 40.11 H new ATOM 0 HB3 LYS A 14 13.250 14.632 2.475 1.00 40.11 H new ATOM 0 HG2 LYS A 14 11.396 12.353 2.354 1.00 1.12 H new ATOM 0 HG3 LYS A 14 12.491 12.262 3.719 1.00 1.12 H new ATOM 0 HD2 LYS A 14 11.383 14.968 3.293 1.00 2.31 H new ATOM 0 HD3 LYS A 14 10.154 13.761 3.611 1.00 2.31 H new ATOM 0 HE2 LYS A 14 10.844 14.668 5.736 1.00 73.05 H new ATOM 0 HE3 LYS A 14 11.454 13.028 5.640 1.00 73.05 H new ATOM 0 HZ1 LYS A 14 13.134 14.540 6.473 1.00 75.54 H new ATOM 0 HZ2 LYS A 14 13.620 13.901 4.977 1.00 75.54 H new ATOM 0 HZ3 LYS A 14 13.030 15.490 5.070 1.00 75.54 H new ATOM 200 N GLY A 15 11.990 15.788 0.309 1.00 4.32 N ATOM 201 CA GLY A 15 10.967 16.767 -0.007 1.00 72.05 C ATOM 202 C GLY A 15 10.428 16.608 -1.415 1.00 62.24 C ATOM 203 O GLY A 15 9.218 16.659 -1.633 1.00 2.41 O ATOM 0 H GLY A 15 12.908 16.180 0.518 1.00 4.32 H new ATOM 0 HA2 GLY A 15 10.147 16.674 0.705 1.00 72.05 H new ATOM 0 HA3 GLY A 15 11.379 17.769 0.110 1.00 72.05 H new ATOM 207 N GLU A 16 11.329 16.415 -2.374 1.00 1.41 N ATOM 208 CA GLU A 16 10.937 16.251 -3.769 1.00 15.05 C ATOM 209 C GLU A 16 10.016 15.045 -3.936 1.00 40.52 C ATOM 210 O GLU A 16 8.888 15.173 -4.414 1.00 11.01 O ATOM 211 CB GLU A 16 12.174 16.089 -4.654 1.00 72.11 C ATOM 212 CG GLU A 16 12.115 16.901 -5.937 1.00 11.22 C ATOM 213 CD GLU A 16 12.836 18.230 -5.819 1.00 61.14 C ATOM 214 OE1 GLU A 16 13.079 18.673 -4.677 1.00 43.34 O ATOM 215 OE2 GLU A 16 13.157 18.826 -6.868 1.00 51.25 O ATOM 0 H GLU A 16 12.335 16.368 -2.210 1.00 1.41 H new ATOM 0 HA GLU A 16 10.395 17.146 -4.076 1.00 15.05 H new ATOM 0 HB2 GLU A 16 13.057 16.384 -4.087 1.00 72.11 H new ATOM 0 HB3 GLU A 16 12.295 15.035 -4.906 1.00 72.11 H new ATOM 0 HG2 GLU A 16 12.556 16.323 -6.749 1.00 11.22 H new ATOM 0 HG3 GLU A 16 11.073 17.079 -6.202 1.00 11.22 H new ATOM 222 N LEU A 17 10.505 13.876 -3.540 1.00 64.45 N ATOM 223 CA LEU A 17 9.728 12.646 -3.647 1.00 20.32 C ATOM 224 C LEU A 17 8.453 12.734 -2.815 1.00 15.20 C ATOM 225 O LEU A 17 7.426 12.157 -3.172 1.00 65.34 O ATOM 226 CB LEU A 17 10.565 11.449 -3.192 1.00 2.12 C ATOM 227 CG LEU A 17 10.580 11.173 -1.688 1.00 11.11 C ATOM 228 CD1 LEU A 17 9.431 10.254 -1.303 1.00 21.04 C ATOM 229 CD2 LEU A 17 11.912 10.569 -1.269 1.00 63.35 C ATOM 0 H LEU A 17 11.436 13.753 -3.142 1.00 64.45 H new ATOM 0 HA LEU A 17 9.450 12.511 -4.692 1.00 20.32 H new ATOM 0 HB2 LEU A 17 10.196 10.559 -3.701 1.00 2.12 H new ATOM 0 HB3 LEU A 17 11.592 11.602 -3.523 1.00 2.12 H new ATOM 0 HG LEU A 17 10.453 12.120 -1.163 1.00 11.11 H new ATOM 0 HD11 LEU A 17 9.458 10.069 -0.229 1.00 21.04 H new ATOM 0 HD12 LEU A 17 8.484 10.725 -1.567 1.00 21.04 H new ATOM 0 HD13 LEU A 17 9.527 9.309 -1.837 1.00 21.04 H new ATOM 0 HD21 LEU A 17 11.904 10.379 -0.196 1.00 63.35 H new ATOM 0 HD22 LEU A 17 12.070 9.631 -1.802 1.00 63.35 H new ATOM 0 HD23 LEU A 17 12.718 11.263 -1.509 1.00 63.35 H new ATOM 241 N GLU A 18 8.525 13.463 -1.705 1.00 70.24 N ATOM 242 CA GLU A 18 7.375 13.628 -0.824 1.00 71.51 C ATOM 243 C GLU A 18 6.224 14.314 -1.554 1.00 41.01 C ATOM 244 O GLU A 18 5.103 13.807 -1.583 1.00 33.31 O ATOM 245 CB GLU A 18 7.765 14.439 0.413 1.00 33.33 C ATOM 246 CG GLU A 18 6.594 14.749 1.331 1.00 23.23 C ATOM 247 CD GLU A 18 5.969 13.500 1.921 1.00 32.14 C ATOM 248 OE1 GLU A 18 6.618 12.434 1.877 1.00 45.11 O ATOM 249 OE2 GLU A 18 4.831 13.588 2.427 1.00 34.21 O ATOM 0 H GLU A 18 9.367 13.948 -1.395 1.00 70.24 H new ATOM 0 HA GLU A 18 7.044 12.638 -0.511 1.00 71.51 H new ATOM 0 HB2 GLU A 18 8.520 13.889 0.974 1.00 33.33 H new ATOM 0 HB3 GLU A 18 8.223 15.375 0.094 1.00 33.33 H new ATOM 0 HG2 GLU A 18 6.932 15.398 2.139 1.00 23.23 H new ATOM 0 HG3 GLU A 18 5.837 15.301 0.774 1.00 23.23 H new ATOM 256 N ARG A 19 6.510 15.471 -2.142 1.00 4.00 N ATOM 257 CA ARG A 19 5.500 16.229 -2.870 1.00 71.43 C ATOM 258 C ARG A 19 4.997 15.443 -4.078 1.00 44.22 C ATOM 259 O ARG A 19 3.803 15.436 -4.373 1.00 34.32 O ATOM 260 CB ARG A 19 6.069 17.574 -3.324 1.00 62.13 C ATOM 261 CG ARG A 19 5.073 18.430 -4.090 1.00 63.51 C ATOM 262 CD ARG A 19 5.362 19.912 -3.915 1.00 1.22 C ATOM 263 NE ARG A 19 6.632 20.298 -4.525 1.00 14.42 N ATOM 264 CZ ARG A 19 7.198 21.488 -4.353 1.00 21.54 C ATOM 265 NH1 ARG A 19 6.611 22.401 -3.592 1.00 52.43 N ATOM 266 NH2 ARG A 19 8.355 21.764 -4.941 1.00 53.30 N ATOM 0 H ARG A 19 7.433 15.904 -2.128 1.00 4.00 H new ATOM 0 HA ARG A 19 4.660 16.406 -2.198 1.00 71.43 H new ATOM 0 HB2 ARG A 19 6.413 18.127 -2.450 1.00 62.13 H new ATOM 0 HB3 ARG A 19 6.941 17.396 -3.953 1.00 62.13 H new ATOM 0 HG2 ARG A 19 5.110 18.174 -5.149 1.00 63.51 H new ATOM 0 HG3 ARG A 19 4.063 18.212 -3.744 1.00 63.51 H new ATOM 0 HD2 ARG A 19 4.555 20.494 -4.360 1.00 1.22 H new ATOM 0 HD3 ARG A 19 5.382 20.154 -2.852 1.00 1.22 H new ATOM 0 HE ARG A 19 7.110 19.617 -5.115 1.00 14.42 H new ATOM 0 HH11 ARG A 19 5.723 22.191 -3.137 1.00 52.43 H new ATOM 0 HH12 ARG A 19 7.048 23.314 -3.462 1.00 52.43 H new ATOM 0 HH21 ARG A 19 8.810 21.063 -5.525 1.00 53.30 H new ATOM 0 HH22 ARG A 19 8.789 22.677 -4.809 1.00 53.30 H new ATOM 280 N ALA A 20 5.918 14.784 -4.774 1.00 22.13 N ATOM 281 CA ALA A 20 5.569 13.995 -5.948 1.00 73.42 C ATOM 282 C ALA A 20 4.658 12.830 -5.575 1.00 60.45 C ATOM 283 O ALA A 20 3.505 12.769 -6.003 1.00 31.35 O ATOM 284 CB ALA A 20 6.827 13.485 -6.635 1.00 30.30 C ATOM 0 H ALA A 20 6.912 14.781 -4.544 1.00 22.13 H new ATOM 0 HA ALA A 20 5.027 14.639 -6.640 1.00 73.42 H new ATOM 0 HB1 ALA A 20 6.551 12.897 -7.510 1.00 30.30 H new ATOM 0 HB2 ALA A 20 7.441 14.331 -6.945 1.00 30.30 H new ATOM 0 HB3 ALA A 20 7.392 12.861 -5.943 1.00 30.30 H new ATOM 290 N PHE A 21 5.183 11.906 -4.777 1.00 42.03 N ATOM 291 CA PHE A 21 4.418 10.741 -4.349 1.00 13.35 C ATOM 292 C PHE A 21 3.073 11.160 -3.761 1.00 3.31 C ATOM 293 O PHE A 21 2.043 10.546 -4.039 1.00 44.23 O ATOM 294 CB PHE A 21 5.209 9.936 -3.316 1.00 65.12 C ATOM 295 CG PHE A 21 6.121 8.910 -3.927 1.00 52.11 C ATOM 296 CD1 PHE A 21 7.186 9.297 -4.724 1.00 52.23 C ATOM 297 CD2 PHE A 21 5.912 7.559 -3.704 1.00 61.54 C ATOM 298 CE1 PHE A 21 8.027 8.356 -5.288 1.00 34.14 C ATOM 299 CE2 PHE A 21 6.750 6.613 -4.265 1.00 33.33 C ATOM 300 CZ PHE A 21 7.807 7.012 -5.058 1.00 65.32 C ATOM 0 H PHE A 21 6.135 11.942 -4.414 1.00 42.03 H new ATOM 0 HA PHE A 21 4.235 10.117 -5.224 1.00 13.35 H new ATOM 0 HB2 PHE A 21 5.801 10.621 -2.709 1.00 65.12 H new ATOM 0 HB3 PHE A 21 4.511 9.436 -2.644 1.00 65.12 H new ATOM 0 HD1 PHE A 21 7.361 10.347 -4.907 1.00 52.23 H new ATOM 0 HD2 PHE A 21 5.086 7.241 -3.085 1.00 61.54 H new ATOM 0 HE1 PHE A 21 8.854 8.671 -5.907 1.00 34.14 H new ATOM 0 HE2 PHE A 21 6.578 5.563 -4.083 1.00 33.33 H new ATOM 0 HZ PHE A 21 8.461 6.274 -5.498 1.00 65.32 H new ATOM 310 N SER A 22 3.092 12.210 -2.946 1.00 11.12 N ATOM 311 CA SER A 22 1.876 12.710 -2.315 1.00 31.54 C ATOM 312 C SER A 22 0.901 13.242 -3.360 1.00 14.10 C ATOM 313 O SER A 22 -0.313 13.078 -3.234 1.00 11.04 O ATOM 314 CB SER A 22 2.214 13.811 -1.308 1.00 31.11 C ATOM 315 OG SER A 22 1.050 14.517 -0.915 1.00 31.14 O ATOM 0 H SER A 22 3.936 12.731 -2.707 1.00 11.12 H new ATOM 0 HA SER A 22 1.401 11.881 -1.790 1.00 31.54 H new ATOM 0 HB2 SER A 22 2.691 13.373 -0.431 1.00 31.11 H new ATOM 0 HB3 SER A 22 2.932 14.503 -1.748 1.00 31.11 H new ATOM 0 HG SER A 22 1.292 15.214 -0.270 1.00 31.14 H new ATOM 321 N TYR A 23 1.440 13.881 -4.392 1.00 64.31 N ATOM 322 CA TYR A 23 0.619 14.440 -5.459 1.00 41.30 C ATOM 323 C TYR A 23 -0.034 13.334 -6.281 1.00 71.52 C ATOM 324 O TYR A 23 -1.148 13.491 -6.781 1.00 35.23 O ATOM 325 CB TYR A 23 1.465 15.334 -6.367 1.00 64.13 C ATOM 326 CG TYR A 23 1.325 16.809 -6.067 1.00 31.03 C ATOM 327 CD1 TYR A 23 1.520 17.297 -4.780 1.00 41.45 C ATOM 328 CD2 TYR A 23 0.996 17.714 -7.068 1.00 40.20 C ATOM 329 CE1 TYR A 23 1.392 18.644 -4.501 1.00 2.22 C ATOM 330 CE2 TYR A 23 0.867 19.063 -6.798 1.00 25.22 C ATOM 331 CZ TYR A 23 1.066 19.523 -5.513 1.00 23.12 C ATOM 332 OH TYR A 23 0.938 20.865 -5.239 1.00 53.33 O ATOM 0 H TYR A 23 2.443 14.025 -4.512 1.00 64.31 H new ATOM 0 HA TYR A 23 -0.168 15.039 -5.001 1.00 41.30 H new ATOM 0 HB2 TYR A 23 2.513 15.050 -6.268 1.00 64.13 H new ATOM 0 HB3 TYR A 23 1.183 15.155 -7.404 1.00 64.13 H new ATOM 0 HD1 TYR A 23 1.776 16.612 -3.985 1.00 41.45 H new ATOM 0 HD2 TYR A 23 0.838 17.357 -8.075 1.00 40.20 H new ATOM 0 HE1 TYR A 23 1.546 19.007 -3.496 1.00 2.22 H new ATOM 0 HE2 TYR A 23 0.612 19.753 -7.589 1.00 25.22 H new ATOM 0 HH TYR A 23 0.706 21.346 -6.061 1.00 53.33 H new ATOM 342 N TYR A 24 0.668 12.214 -6.417 1.00 35.24 N ATOM 343 CA TYR A 24 0.158 11.080 -7.179 1.00 43.22 C ATOM 344 C TYR A 24 -0.794 10.239 -6.335 1.00 22.05 C ATOM 345 O TYR A 24 -1.816 9.759 -6.823 1.00 13.54 O ATOM 346 CB TYR A 24 1.315 10.214 -7.679 1.00 25.30 C ATOM 347 CG TYR A 24 1.872 10.658 -9.013 1.00 24.14 C ATOM 348 CD1 TYR A 24 2.819 11.672 -9.090 1.00 30.13 C ATOM 349 CD2 TYR A 24 1.453 10.062 -10.196 1.00 14.41 C ATOM 350 CE1 TYR A 24 3.330 12.081 -10.306 1.00 52.31 C ATOM 351 CE2 TYR A 24 1.959 10.464 -11.417 1.00 1.43 C ATOM 352 CZ TYR A 24 2.897 11.474 -11.467 1.00 0.43 C ATOM 353 OH TYR A 24 3.405 11.878 -12.680 1.00 55.43 O ATOM 0 H TYR A 24 1.592 12.067 -6.010 1.00 35.24 H new ATOM 0 HA TYR A 24 -0.393 11.469 -8.035 1.00 43.22 H new ATOM 0 HB2 TYR A 24 2.115 10.228 -6.938 1.00 25.30 H new ATOM 0 HB3 TYR A 24 0.975 9.182 -7.762 1.00 25.30 H new ATOM 0 HD1 TYR A 24 3.161 12.148 -8.183 1.00 30.13 H new ATOM 0 HD2 TYR A 24 0.719 9.271 -10.160 1.00 14.41 H new ATOM 0 HE1 TYR A 24 4.065 12.872 -10.348 1.00 52.31 H new ATOM 0 HE2 TYR A 24 1.622 9.990 -12.327 1.00 1.43 H new ATOM 0 HH TYR A 24 2.997 11.350 -13.398 1.00 55.43 H new ATOM 363 N GLY A 25 -0.449 10.065 -5.062 1.00 72.22 N ATOM 364 CA GLY A 25 -1.283 9.282 -4.168 1.00 43.23 C ATOM 365 C GLY A 25 -0.893 9.454 -2.714 1.00 33.15 C ATOM 366 O GLY A 25 0.088 10.121 -2.386 1.00 1.40 O ATOM 0 H GLY A 25 0.392 10.452 -4.634 1.00 72.22 H new ATOM 0 HA2 GLY A 25 -2.325 9.574 -4.299 1.00 43.23 H new ATOM 0 HA3 GLY A 25 -1.211 8.228 -4.438 1.00 43.23 H new ATOM 370 N PRO A 26 -1.675 8.842 -1.811 1.00 52.44 N ATOM 371 CA PRO A 26 -1.427 8.917 -0.369 1.00 11.34 C ATOM 372 C PRO A 26 -0.179 8.146 0.046 1.00 44.13 C ATOM 373 O PRO A 26 -0.117 6.924 -0.092 1.00 71.44 O ATOM 374 CB PRO A 26 -2.677 8.277 0.240 1.00 55.40 C ATOM 375 CG PRO A 26 -3.193 7.368 -0.822 1.00 3.22 C ATOM 376 CD PRO A 26 -2.861 8.030 -2.131 1.00 14.44 C ATOM 0 HA PRO A 26 -1.251 9.941 -0.039 1.00 11.34 H new ATOM 0 HB2 PRO A 26 -2.437 7.727 1.150 1.00 55.40 H new ATOM 0 HB3 PRO A 26 -3.417 9.031 0.509 1.00 55.40 H new ATOM 0 HG2 PRO A 26 -2.728 6.384 -0.753 1.00 3.22 H new ATOM 0 HG3 PRO A 26 -4.268 7.221 -0.721 1.00 3.22 H new ATOM 0 HD2 PRO A 26 -2.648 7.297 -2.909 1.00 14.44 H new ATOM 0 HD3 PRO A 26 -3.685 8.646 -2.490 1.00 14.44 H new ATOM 384 N LEU A 27 0.815 8.867 0.554 1.00 35.14 N ATOM 385 CA LEU A 27 2.063 8.250 0.990 1.00 74.21 C ATOM 386 C LEU A 27 1.882 7.544 2.330 1.00 64.41 C ATOM 387 O LEU A 27 1.351 8.119 3.280 1.00 44.43 O ATOM 388 CB LEU A 27 3.165 9.305 1.101 1.00 73.13 C ATOM 389 CG LEU A 27 4.085 9.444 -0.112 1.00 64.41 C ATOM 390 CD1 LEU A 27 5.091 10.564 0.106 1.00 34.21 C ATOM 391 CD2 LEU A 27 4.801 8.130 -0.392 1.00 34.21 C ATOM 0 H LEU A 27 0.781 9.879 0.674 1.00 35.14 H new ATOM 0 HA LEU A 27 2.353 7.508 0.246 1.00 74.21 H new ATOM 0 HB2 LEU A 27 2.698 10.271 1.290 1.00 73.13 H new ATOM 0 HB3 LEU A 27 3.778 9.071 1.972 1.00 73.13 H new ATOM 0 HG LEU A 27 3.475 9.695 -0.979 1.00 64.41 H new ATOM 0 HD11 LEU A 27 5.737 10.648 -0.768 1.00 34.21 H new ATOM 0 HD12 LEU A 27 4.561 11.505 0.257 1.00 34.21 H new ATOM 0 HD13 LEU A 27 5.696 10.343 0.985 1.00 34.21 H new ATOM 0 HD21 LEU A 27 5.451 8.248 -1.259 1.00 34.21 H new ATOM 0 HD22 LEU A 27 5.399 7.850 0.475 1.00 34.21 H new ATOM 0 HD23 LEU A 27 4.066 7.351 -0.593 1.00 34.21 H new ATOM 403 N ARG A 28 2.330 6.294 2.399 1.00 12.13 N ATOM 404 CA ARG A 28 2.219 5.510 3.623 1.00 32.32 C ATOM 405 C ARG A 28 3.463 5.677 4.491 1.00 13.30 C ATOM 406 O ARG A 28 3.366 5.879 5.702 1.00 1.11 O ATOM 407 CB ARG A 28 2.012 4.031 3.290 1.00 42.14 C ATOM 408 CG ARG A 28 1.802 3.154 4.513 1.00 3.32 C ATOM 409 CD ARG A 28 2.787 1.996 4.544 1.00 72.21 C ATOM 410 NE ARG A 28 2.200 0.765 4.022 1.00 33.51 N ATOM 411 CZ ARG A 28 2.784 -0.425 4.113 1.00 4.35 C ATOM 412 NH1 ARG A 28 3.966 -0.543 4.704 1.00 52.33 N ATOM 413 NH2 ARG A 28 2.187 -1.499 3.614 1.00 31.23 N ATOM 0 H ARG A 28 2.773 5.803 1.622 1.00 12.13 H new ATOM 0 HA ARG A 28 1.356 5.874 4.180 1.00 32.32 H new ATOM 0 HB2 ARG A 28 1.149 3.933 2.631 1.00 42.14 H new ATOM 0 HB3 ARG A 28 2.878 3.667 2.737 1.00 42.14 H new ATOM 0 HG2 ARG A 28 1.915 3.754 5.416 1.00 3.32 H new ATOM 0 HG3 ARG A 28 0.783 2.767 4.514 1.00 3.32 H new ATOM 0 HD2 ARG A 28 3.669 2.254 3.958 1.00 72.21 H new ATOM 0 HD3 ARG A 28 3.122 1.832 5.568 1.00 72.21 H new ATOM 0 HE ARG A 28 1.291 0.822 3.562 1.00 33.51 H new ATOM 0 HH11 ARG A 28 4.428 0.281 5.089 1.00 52.33 H new ATOM 0 HH12 ARG A 28 4.413 -1.457 4.773 1.00 52.33 H new ATOM 0 HH21 ARG A 28 1.278 -1.412 3.159 1.00 31.23 H new ATOM 0 HH22 ARG A 28 2.637 -2.412 3.685 1.00 31.23 H new ATOM 427 N THR A 29 4.632 5.592 3.864 1.00 73.03 N ATOM 428 CA THR A 29 5.894 5.732 4.578 1.00 44.21 C ATOM 429 C THR A 29 7.015 6.155 3.635 1.00 2.42 C ATOM 430 O THR A 29 7.008 5.813 2.453 1.00 63.51 O ATOM 431 CB THR A 29 6.294 4.418 5.275 1.00 3.44 C ATOM 432 OG1 THR A 29 5.290 3.421 5.055 1.00 44.42 O ATOM 433 CG2 THR A 29 6.482 4.634 6.769 1.00 1.34 C ATOM 0 H THR A 29 4.730 5.427 2.862 1.00 73.03 H new ATOM 0 HA THR A 29 5.746 6.505 5.333 1.00 44.21 H new ATOM 0 HB THR A 29 7.239 4.081 4.850 1.00 3.44 H new ATOM 0 HG1 THR A 29 5.553 2.588 5.500 1.00 44.42 H new ATOM 0 HG21 THR A 29 6.764 3.692 7.240 1.00 1.34 H new ATOM 0 HG22 THR A 29 7.267 5.372 6.934 1.00 1.34 H new ATOM 0 HG23 THR A 29 5.550 4.993 7.205 1.00 1.34 H new ATOM 441 N VAL A 30 7.978 6.902 4.166 1.00 43.20 N ATOM 442 CA VAL A 30 9.108 7.371 3.372 1.00 73.22 C ATOM 443 C VAL A 30 10.431 7.069 4.067 1.00 52.53 C ATOM 444 O VAL A 30 10.517 7.091 5.294 1.00 24.54 O ATOM 445 CB VAL A 30 9.015 8.885 3.103 1.00 71.53 C ATOM 446 CG1 VAL A 30 9.101 9.665 4.405 1.00 23.04 C ATOM 447 CG2 VAL A 30 10.106 9.321 2.137 1.00 53.35 C ATOM 0 H VAL A 30 7.998 7.195 5.143 1.00 43.20 H new ATOM 0 HA VAL A 30 9.070 6.838 2.422 1.00 73.22 H new ATOM 0 HB VAL A 30 8.049 9.097 2.645 1.00 71.53 H new ATOM 0 HG11 VAL A 30 9.034 10.732 4.195 1.00 23.04 H new ATOM 0 HG12 VAL A 30 8.281 9.372 5.060 1.00 23.04 H new ATOM 0 HG13 VAL A 30 10.051 9.451 4.895 1.00 23.04 H new ATOM 0 HG21 VAL A 30 10.026 10.393 1.958 1.00 53.35 H new ATOM 0 HG22 VAL A 30 11.083 9.097 2.566 1.00 53.35 H new ATOM 0 HG23 VAL A 30 9.992 8.786 1.194 1.00 53.35 H new ATOM 457 N TRP A 31 11.459 6.790 3.274 1.00 74.24 N ATOM 458 CA TRP A 31 12.779 6.484 3.813 1.00 51.41 C ATOM 459 C TRP A 31 13.875 6.907 2.841 1.00 0.31 C ATOM 460 O TRP A 31 13.748 6.723 1.630 1.00 24.33 O ATOM 461 CB TRP A 31 12.896 4.989 4.114 1.00 41.31 C ATOM 462 CG TRP A 31 13.225 4.696 5.546 1.00 24.23 C ATOM 463 CD1 TRP A 31 12.396 4.833 6.623 1.00 41.14 C ATOM 464 CD2 TRP A 31 14.474 4.217 6.058 1.00 40.22 C ATOM 465 NE1 TRP A 31 13.054 4.469 7.773 1.00 61.35 N ATOM 466 CE2 TRP A 31 14.330 4.086 7.453 1.00 51.11 C ATOM 467 CE3 TRP A 31 15.699 3.885 5.473 1.00 31.41 C ATOM 468 CZ2 TRP A 31 15.365 3.638 8.269 1.00 2.20 C ATOM 469 CZ3 TRP A 31 16.726 3.441 6.285 1.00 75.45 C ATOM 470 CH2 TRP A 31 16.554 3.320 7.670 1.00 74.21 C ATOM 0 H TRP A 31 11.404 6.769 2.256 1.00 74.24 H new ATOM 0 HA TRP A 31 12.905 7.044 4.739 1.00 51.41 H new ATOM 0 HB2 TRP A 31 11.957 4.499 3.857 1.00 41.31 H new ATOM 0 HB3 TRP A 31 13.666 4.556 3.476 1.00 41.31 H new ATOM 0 HD1 TRP A 31 11.373 5.177 6.577 1.00 41.14 H new ATOM 0 HE1 TRP A 31 12.657 4.482 8.712 1.00 61.35 H new ATOM 0 HE3 TRP A 31 15.841 3.974 4.406 1.00 31.41 H new ATOM 0 HZ2 TRP A 31 15.234 3.545 9.337 1.00 2.20 H new ATOM 0 HZ3 TRP A 31 17.677 3.183 5.844 1.00 75.45 H new ATOM 0 HH2 TRP A 31 17.375 2.969 8.277 1.00 74.21 H new ATOM 481 N ILE A 32 14.950 7.475 3.379 1.00 74.44 N ATOM 482 CA ILE A 32 16.068 7.922 2.558 1.00 51.03 C ATOM 483 C ILE A 32 17.373 7.272 3.005 1.00 73.23 C ATOM 484 O ILE A 32 17.618 7.106 4.199 1.00 3.42 O ATOM 485 CB ILE A 32 16.227 9.453 2.609 1.00 54.13 C ATOM 486 CG1 ILE A 32 14.892 10.136 2.303 1.00 42.51 C ATOM 487 CG2 ILE A 32 17.298 9.908 1.628 1.00 34.54 C ATOM 488 CD1 ILE A 32 14.366 9.841 0.916 1.00 70.02 C ATOM 0 H ILE A 32 15.070 7.636 4.379 1.00 74.44 H new ATOM 0 HA ILE A 32 15.847 7.621 1.534 1.00 51.03 H new ATOM 0 HB ILE A 32 16.538 9.738 3.614 1.00 54.13 H new ATOM 0 HG12 ILE A 32 14.153 9.817 3.038 1.00 42.51 H new ATOM 0 HG13 ILE A 32 15.010 11.214 2.416 1.00 42.51 H new ATOM 0 HG21 ILE A 32 17.398 10.992 1.676 1.00 34.54 H new ATOM 0 HG22 ILE A 32 18.250 9.444 1.887 1.00 34.54 H new ATOM 0 HG23 ILE A 32 17.014 9.614 0.617 1.00 34.54 H new ATOM 0 HD11 ILE A 32 13.418 10.358 0.769 1.00 70.02 H new ATOM 0 HD12 ILE A 32 15.086 10.185 0.173 1.00 70.02 H new ATOM 0 HD13 ILE A 32 14.215 8.767 0.805 1.00 70.02 H new ATOM 500 N ALA A 33 18.207 6.906 2.037 1.00 2.41 N ATOM 501 CA ALA A 33 19.489 6.278 2.331 1.00 61.22 C ATOM 502 C ALA A 33 20.643 7.247 2.095 1.00 14.14 C ATOM 503 O ALA A 33 21.012 7.521 0.954 1.00 42.35 O ATOM 504 CB ALA A 33 19.669 5.025 1.486 1.00 52.54 C ATOM 0 H ALA A 33 18.018 7.034 1.043 1.00 2.41 H new ATOM 0 HA ALA A 33 19.494 5.997 3.384 1.00 61.22 H new ATOM 0 HB1 ALA A 33 20.631 4.566 1.716 1.00 52.54 H new ATOM 0 HB2 ALA A 33 18.868 4.319 1.707 1.00 52.54 H new ATOM 0 HB3 ALA A 33 19.637 5.291 0.429 1.00 52.54 H new ATOM 510 N ARG A 34 21.207 7.763 3.182 1.00 12.33 N ATOM 511 CA ARG A 34 22.317 8.704 3.093 1.00 22.14 C ATOM 512 C ARG A 34 23.624 7.976 2.793 1.00 71.55 C ATOM 513 O ARG A 34 24.530 8.535 2.176 1.00 74.32 O ATOM 514 CB ARG A 34 22.450 9.494 4.397 1.00 73.03 C ATOM 515 CG ARG A 34 22.889 10.935 4.193 1.00 21.24 C ATOM 516 CD ARG A 34 23.039 11.664 5.519 1.00 32.14 C ATOM 517 NE ARG A 34 21.747 11.927 6.148 1.00 2.11 N ATOM 518 CZ ARG A 34 21.613 12.392 7.385 1.00 21.13 C ATOM 519 NH1 ARG A 34 22.686 12.644 8.122 1.00 21.23 N ATOM 520 NH2 ARG A 34 20.404 12.606 7.887 1.00 13.15 N ATOM 0 H ARG A 34 20.914 7.545 4.134 1.00 12.33 H new ATOM 0 HA ARG A 34 22.109 9.395 2.276 1.00 22.14 H new ATOM 0 HB2 ARG A 34 21.492 9.485 4.917 1.00 73.03 H new ATOM 0 HB3 ARG A 34 23.169 8.992 5.045 1.00 73.03 H new ATOM 0 HG2 ARG A 34 23.837 10.955 3.656 1.00 21.24 H new ATOM 0 HG3 ARG A 34 22.160 11.454 3.571 1.00 21.24 H new ATOM 0 HD2 ARG A 34 23.656 11.069 6.192 1.00 32.14 H new ATOM 0 HD3 ARG A 34 23.562 12.606 5.357 1.00 32.14 H new ATOM 0 HE ARG A 34 20.902 11.744 5.608 1.00 2.11 H new ATOM 0 HH11 ARG A 34 23.617 12.481 7.739 1.00 21.23 H new ATOM 0 HH12 ARG A 34 22.580 13.001 9.072 1.00 21.23 H new ATOM 0 HH21 ARG A 34 19.576 12.413 7.323 1.00 13.15 H new ATOM 0 HH22 ARG A 34 20.302 12.963 8.837 1.00 13.15 H new ATOM 534 N ASN A 35 23.713 6.725 3.233 1.00 22.22 N ATOM 535 CA ASN A 35 24.909 5.920 3.012 1.00 3.21 C ATOM 536 C ASN A 35 25.370 6.017 1.561 1.00 53.52 C ATOM 537 O ASN A 35 26.487 6.442 1.265 1.00 11.20 O ATOM 538 CB ASN A 35 24.641 4.459 3.377 1.00 73.33 C ATOM 539 CG ASN A 35 25.258 4.072 4.707 1.00 65.35 C ATOM 540 OD1 ASN A 35 26.316 4.578 5.083 1.00 35.03 O ATOM 541 ND2 ASN A 35 24.600 3.169 5.424 1.00 12.44 N ATOM 0 H ASN A 35 22.971 6.247 3.745 1.00 22.22 H new ATOM 0 HA ASN A 35 25.701 6.308 3.653 1.00 3.21 H new ATOM 0 HB2 ASN A 35 23.565 4.289 3.416 1.00 73.33 H new ATOM 0 HB3 ASN A 35 25.038 3.813 2.594 1.00 73.33 H new ATOM 0 HD21 ASN A 35 24.968 2.868 6.326 1.00 12.44 H new ATOM 0 HD22 ASN A 35 23.727 2.777 5.073 1.00 12.44 H new ATOM 548 N PRO A 36 24.489 5.615 0.632 1.00 1.44 N ATOM 549 CA PRO A 36 24.782 5.649 -0.804 1.00 31.24 C ATOM 550 C PRO A 36 24.855 7.071 -1.348 1.00 15.55 C ATOM 551 O PRO A 36 24.510 8.039 -0.669 1.00 53.43 O ATOM 552 CB PRO A 36 23.601 4.899 -1.424 1.00 74.30 C ATOM 553 CG PRO A 36 22.491 5.062 -0.443 1.00 61.23 C ATOM 554 CD PRO A 36 23.139 5.098 0.913 1.00 23.11 C ATOM 0 HA PRO A 36 25.752 5.208 -1.032 1.00 31.24 H new ATOM 0 HB2 PRO A 36 23.335 5.314 -2.396 1.00 74.30 H new ATOM 0 HB3 PRO A 36 23.839 3.847 -1.581 1.00 74.30 H new ATOM 0 HG2 PRO A 36 21.933 5.979 -0.633 1.00 61.23 H new ATOM 0 HG3 PRO A 36 21.782 4.237 -0.515 1.00 61.23 H new ATOM 0 HD2 PRO A 36 22.596 5.746 1.601 1.00 23.11 H new ATOM 0 HD3 PRO A 36 23.174 4.108 1.368 1.00 23.11 H new ATOM 562 N PRO A 37 25.313 7.204 -2.601 1.00 22.10 N ATOM 563 CA PRO A 37 25.441 8.505 -3.264 1.00 14.11 C ATOM 564 C PRO A 37 24.086 9.125 -3.590 1.00 30.13 C ATOM 565 O PRO A 37 23.952 10.346 -3.662 1.00 63.32 O ATOM 566 CB PRO A 37 26.201 8.175 -4.551 1.00 32.32 C ATOM 567 CG PRO A 37 25.891 6.742 -4.816 1.00 61.14 C ATOM 568 CD PRO A 37 25.742 6.094 -3.468 1.00 22.52 C ATOM 0 HA PRO A 37 25.944 9.237 -2.632 1.00 14.11 H new ATOM 0 HB2 PRO A 37 25.877 8.809 -5.376 1.00 32.32 H new ATOM 0 HB3 PRO A 37 27.273 8.333 -4.430 1.00 32.32 H new ATOM 0 HG2 PRO A 37 24.976 6.642 -5.400 1.00 61.14 H new ATOM 0 HG3 PRO A 37 26.689 6.270 -5.390 1.00 61.14 H new ATOM 0 HD2 PRO A 37 25.005 5.291 -3.487 1.00 22.52 H new ATOM 0 HD3 PRO A 37 26.680 5.657 -3.126 1.00 22.52 H new ATOM 576 N GLY A 38 23.083 8.274 -3.785 1.00 14.52 N ATOM 577 CA GLY A 38 21.751 8.758 -4.100 1.00 61.02 C ATOM 578 C GLY A 38 20.744 7.634 -4.238 1.00 35.14 C ATOM 579 O GLY A 38 20.438 7.196 -5.347 1.00 40.41 O ATOM 0 H GLY A 38 23.169 7.259 -3.731 1.00 14.52 H new ATOM 0 HA2 GLY A 38 21.422 9.442 -3.318 1.00 61.02 H new ATOM 0 HA3 GLY A 38 21.785 9.328 -5.029 1.00 61.02 H new ATOM 583 N PHE A 39 20.227 7.163 -3.107 1.00 54.43 N ATOM 584 CA PHE A 39 19.249 6.081 -3.106 1.00 3.00 C ATOM 585 C PHE A 39 18.263 6.241 -1.953 1.00 73.50 C ATOM 586 O PHE A 39 18.659 6.450 -0.807 1.00 63.21 O ATOM 587 CB PHE A 39 19.956 4.728 -3.004 1.00 31.31 C ATOM 588 CG PHE A 39 20.577 4.277 -4.295 1.00 74.41 C ATOM 589 CD1 PHE A 39 19.869 4.355 -5.484 1.00 21.02 C ATOM 590 CD2 PHE A 39 21.867 3.774 -4.320 1.00 64.41 C ATOM 591 CE1 PHE A 39 20.437 3.941 -6.674 1.00 4.11 C ATOM 592 CE2 PHE A 39 22.441 3.359 -5.507 1.00 60.30 C ATOM 593 CZ PHE A 39 21.725 3.441 -6.685 1.00 52.32 C ATOM 0 H PHE A 39 20.469 7.514 -2.180 1.00 54.43 H new ATOM 0 HA PHE A 39 18.694 6.124 -4.043 1.00 3.00 H new ATOM 0 HB2 PHE A 39 20.730 4.789 -2.239 1.00 31.31 H new ATOM 0 HB3 PHE A 39 19.239 3.977 -2.673 1.00 31.31 H new ATOM 0 HD1 PHE A 39 18.861 4.744 -5.481 1.00 21.02 H new ATOM 0 HD2 PHE A 39 22.431 3.705 -3.402 1.00 64.41 H new ATOM 0 HE1 PHE A 39 19.875 4.008 -7.594 1.00 4.11 H new ATOM 0 HE2 PHE A 39 23.449 2.971 -5.513 1.00 60.30 H new ATOM 0 HZ PHE A 39 22.171 3.115 -7.613 1.00 52.32 H new ATOM 603 N ALA A 40 16.975 6.141 -2.266 1.00 71.41 N ATOM 604 CA ALA A 40 15.931 6.272 -1.257 1.00 41.22 C ATOM 605 C ALA A 40 14.819 5.253 -1.482 1.00 52.50 C ATOM 606 O ALA A 40 14.619 4.774 -2.598 1.00 54.23 O ATOM 607 CB ALA A 40 15.365 7.685 -1.264 1.00 62.53 C ATOM 0 H ALA A 40 16.630 5.970 -3.210 1.00 71.41 H new ATOM 0 HA ALA A 40 16.376 6.075 -0.281 1.00 41.22 H new ATOM 0 HB1 ALA A 40 14.586 7.769 -0.506 1.00 62.53 H new ATOM 0 HB2 ALA A 40 16.161 8.397 -1.047 1.00 62.53 H new ATOM 0 HB3 ALA A 40 14.941 7.902 -2.245 1.00 62.53 H new ATOM 613 N PHE A 41 14.098 4.926 -0.415 1.00 22.04 N ATOM 614 CA PHE A 41 13.007 3.962 -0.495 1.00 53.35 C ATOM 615 C PHE A 41 11.702 4.575 0.005 1.00 20.04 C ATOM 616 O PHE A 41 11.701 5.400 0.919 1.00 50.42 O ATOM 617 CB PHE A 41 13.341 2.711 0.319 1.00 5.11 C ATOM 618 CG PHE A 41 12.207 1.730 0.404 1.00 3.14 C ATOM 619 CD1 PHE A 41 11.243 1.850 1.392 1.00 55.55 C ATOM 620 CD2 PHE A 41 12.106 0.687 -0.502 1.00 44.22 C ATOM 621 CE1 PHE A 41 10.197 0.950 1.473 1.00 63.34 C ATOM 622 CE2 PHE A 41 11.063 -0.216 -0.426 1.00 63.33 C ATOM 623 CZ PHE A 41 10.108 -0.086 0.563 1.00 3.30 C ATOM 0 H PHE A 41 14.250 5.315 0.516 1.00 22.04 H new ATOM 0 HA PHE A 41 12.880 3.682 -1.541 1.00 53.35 H new ATOM 0 HB2 PHE A 41 14.205 2.218 -0.126 1.00 5.11 H new ATOM 0 HB3 PHE A 41 13.629 3.009 1.327 1.00 5.11 H new ATOM 0 HD1 PHE A 41 11.310 2.656 2.107 1.00 55.55 H new ATOM 0 HD2 PHE A 41 12.851 0.578 -1.276 1.00 44.22 H new ATOM 0 HE1 PHE A 41 9.451 1.056 2.246 1.00 63.34 H new ATOM 0 HE2 PHE A 41 10.995 -1.023 -1.140 1.00 63.33 H new ATOM 0 HZ PHE A 41 9.293 -0.792 0.625 1.00 3.30 H new ATOM 633 N VAL A 42 10.592 4.165 -0.600 1.00 31.00 N ATOM 634 CA VAL A 42 9.280 4.672 -0.216 1.00 51.12 C ATOM 635 C VAL A 42 8.250 3.549 -0.166 1.00 11.31 C ATOM 636 O VAL A 42 8.308 2.605 -0.953 1.00 40.31 O ATOM 637 CB VAL A 42 8.791 5.759 -1.192 1.00 10.12 C ATOM 638 CG1 VAL A 42 7.372 6.187 -0.848 1.00 24.24 C ATOM 639 CG2 VAL A 42 9.735 6.952 -1.176 1.00 71.14 C ATOM 0 H VAL A 42 10.575 3.483 -1.358 1.00 31.00 H new ATOM 0 HA VAL A 42 9.387 5.107 0.778 1.00 51.12 H new ATOM 0 HB VAL A 42 8.785 5.342 -2.199 1.00 10.12 H new ATOM 0 HG11 VAL A 42 7.044 6.955 -1.548 1.00 24.24 H new ATOM 0 HG12 VAL A 42 6.706 5.327 -0.915 1.00 24.24 H new ATOM 0 HG13 VAL A 42 7.348 6.586 0.166 1.00 24.24 H new ATOM 0 HG21 VAL A 42 9.375 7.710 -1.871 1.00 71.14 H new ATOM 0 HG22 VAL A 42 9.775 7.371 -0.171 1.00 71.14 H new ATOM 0 HG23 VAL A 42 10.733 6.631 -1.475 1.00 71.14 H new ATOM 649 N GLU A 43 7.307 3.659 0.765 1.00 4.41 N ATOM 650 CA GLU A 43 6.264 2.652 0.918 1.00 41.22 C ATOM 651 C GLU A 43 4.892 3.238 0.598 1.00 34.23 C ATOM 652 O GLU A 43 4.471 4.226 1.200 1.00 52.34 O ATOM 653 CB GLU A 43 6.272 2.089 2.341 1.00 51.43 C ATOM 654 CG GLU A 43 6.056 0.587 2.402 1.00 70.40 C ATOM 655 CD GLU A 43 6.870 -0.075 3.497 1.00 74.50 C ATOM 656 OE1 GLU A 43 6.858 0.435 4.637 1.00 60.25 O ATOM 657 OE2 GLU A 43 7.518 -1.105 3.214 1.00 51.34 O ATOM 0 H GLU A 43 7.244 4.435 1.424 1.00 4.41 H new ATOM 0 HA GLU A 43 6.468 1.844 0.215 1.00 41.22 H new ATOM 0 HB2 GLU A 43 7.225 2.330 2.813 1.00 51.43 H new ATOM 0 HB3 GLU A 43 5.494 2.583 2.923 1.00 51.43 H new ATOM 0 HG2 GLU A 43 4.998 0.382 2.566 1.00 70.40 H new ATOM 0 HG3 GLU A 43 6.320 0.146 1.441 1.00 70.40 H new ATOM 664 N PHE A 44 4.198 2.621 -0.353 1.00 25.31 N ATOM 665 CA PHE A 44 2.874 3.081 -0.754 1.00 62.34 C ATOM 666 C PHE A 44 1.789 2.162 -0.202 1.00 74.41 C ATOM 667 O PHE A 44 1.789 0.959 -0.462 1.00 33.22 O ATOM 668 CB PHE A 44 2.775 3.147 -2.280 1.00 32.22 C ATOM 669 CG PHE A 44 2.493 4.526 -2.803 1.00 11.31 C ATOM 670 CD1 PHE A 44 1.469 5.290 -2.265 1.00 61.43 C ATOM 671 CD2 PHE A 44 3.251 5.059 -3.833 1.00 4.43 C ATOM 672 CE1 PHE A 44 1.207 6.560 -2.744 1.00 63.41 C ATOM 673 CE2 PHE A 44 2.994 6.329 -4.315 1.00 64.32 C ATOM 674 CZ PHE A 44 1.970 7.079 -3.771 1.00 44.32 C ATOM 0 H PHE A 44 4.531 1.801 -0.860 1.00 25.31 H new ATOM 0 HA PHE A 44 2.723 4.079 -0.343 1.00 62.34 H new ATOM 0 HB2 PHE A 44 3.708 2.787 -2.713 1.00 32.22 H new ATOM 0 HB3 PHE A 44 1.987 2.472 -2.615 1.00 32.22 H new ATOM 0 HD1 PHE A 44 0.869 4.888 -1.462 1.00 61.43 H new ATOM 0 HD2 PHE A 44 4.051 4.476 -4.264 1.00 4.43 H new ATOM 0 HE1 PHE A 44 0.407 7.145 -2.316 1.00 63.41 H new ATOM 0 HE2 PHE A 44 3.594 6.734 -5.117 1.00 64.32 H new ATOM 0 HZ PHE A 44 1.766 8.070 -4.148 1.00 44.32 H new ATOM 684 N GLU A 45 0.866 2.738 0.561 1.00 15.05 N ATOM 685 CA GLU A 45 -0.225 1.970 1.152 1.00 42.44 C ATOM 686 C GLU A 45 -0.950 1.150 0.089 1.00 52.11 C ATOM 687 O GLU A 45 -1.431 0.050 0.360 1.00 62.52 O ATOM 688 CB GLU A 45 -1.213 2.904 1.854 1.00 33.40 C ATOM 689 CG GLU A 45 -2.503 2.219 2.273 1.00 14.35 C ATOM 690 CD GLU A 45 -2.924 2.581 3.685 1.00 42.53 C ATOM 691 OE1 GLU A 45 -3.556 3.644 3.860 1.00 4.44 O ATOM 692 OE2 GLU A 45 -2.621 1.803 4.613 1.00 71.02 O ATOM 0 H GLU A 45 0.851 3.733 0.785 1.00 15.05 H new ATOM 0 HA GLU A 45 0.201 1.286 1.886 1.00 42.44 H new ATOM 0 HB2 GLU A 45 -0.734 3.330 2.736 1.00 33.40 H new ATOM 0 HB3 GLU A 45 -1.451 3.734 1.189 1.00 33.40 H new ATOM 0 HG2 GLU A 45 -3.298 2.493 1.579 1.00 14.35 H new ATOM 0 HG3 GLU A 45 -2.376 1.139 2.201 1.00 14.35 H new ATOM 699 N ASP A 46 -1.026 1.694 -1.121 1.00 5.44 N ATOM 700 CA ASP A 46 -1.692 1.014 -2.225 1.00 65.12 C ATOM 701 C ASP A 46 -0.743 0.840 -3.407 1.00 52.24 C ATOM 702 O ASP A 46 0.140 1.663 -3.653 1.00 34.44 O ATOM 703 CB ASP A 46 -2.932 1.796 -2.661 1.00 4.13 C ATOM 704 CG ASP A 46 -3.646 2.445 -1.492 1.00 55.51 C ATOM 705 OD1 ASP A 46 -3.167 3.493 -1.011 1.00 3.42 O ATOM 706 OD2 ASP A 46 -4.686 1.906 -1.059 1.00 52.35 O ATOM 0 H ASP A 46 -0.634 2.604 -1.362 1.00 5.44 H new ATOM 0 HA ASP A 46 -1.998 0.027 -1.879 1.00 65.12 H new ATOM 0 HB2 ASP A 46 -2.641 2.564 -3.377 1.00 4.13 H new ATOM 0 HB3 ASP A 46 -3.619 1.125 -3.176 1.00 4.13 H new ATOM 711 N PRO A 47 -0.927 -0.256 -4.158 1.00 54.01 N ATOM 712 CA PRO A 47 -0.098 -0.564 -5.327 1.00 4.33 C ATOM 713 C PRO A 47 -0.352 0.393 -6.487 1.00 33.24 C ATOM 714 O PRO A 47 0.585 0.876 -7.122 1.00 12.52 O ATOM 715 CB PRO A 47 -0.526 -1.985 -5.702 1.00 1.35 C ATOM 716 CG PRO A 47 -1.913 -2.114 -5.174 1.00 51.20 C ATOM 717 CD PRO A 47 -1.960 -1.279 -3.924 1.00 73.12 C ATOM 0 HA PRO A 47 0.966 -0.469 -5.108 1.00 4.33 H new ATOM 0 HB2 PRO A 47 -0.498 -2.135 -6.781 1.00 1.35 H new ATOM 0 HB3 PRO A 47 0.137 -2.728 -5.259 1.00 1.35 H new ATOM 0 HG2 PRO A 47 -2.643 -1.764 -5.904 1.00 51.20 H new ATOM 0 HG3 PRO A 47 -2.153 -3.155 -4.957 1.00 51.20 H new ATOM 0 HD2 PRO A 47 -2.943 -0.831 -3.777 1.00 73.12 H new ATOM 0 HD3 PRO A 47 -1.744 -1.873 -3.036 1.00 73.12 H new ATOM 725 N ARG A 48 -1.625 0.662 -6.757 1.00 74.32 N ATOM 726 CA ARG A 48 -2.003 1.560 -7.842 1.00 3.35 C ATOM 727 C ARG A 48 -1.278 2.897 -7.717 1.00 2.21 C ATOM 728 O ARG A 48 -0.755 3.425 -8.699 1.00 13.23 O ATOM 729 CB ARG A 48 -3.516 1.786 -7.842 1.00 4.41 C ATOM 730 CG ARG A 48 -4.057 2.286 -6.512 1.00 71.23 C ATOM 731 CD ARG A 48 -5.426 1.696 -6.211 1.00 70.24 C ATOM 732 NE ARG A 48 -6.381 1.953 -7.286 1.00 12.32 N ATOM 733 CZ ARG A 48 -7.699 1.906 -7.125 1.00 21.34 C ATOM 734 NH1 ARG A 48 -8.215 1.613 -5.939 1.00 60.51 N ATOM 735 NH2 ARG A 48 -8.503 2.152 -8.151 1.00 13.43 N ATOM 0 H ARG A 48 -2.412 0.271 -6.239 1.00 74.32 H new ATOM 0 HA ARG A 48 -1.713 1.095 -8.784 1.00 3.35 H new ATOM 0 HB2 ARG A 48 -3.767 2.506 -8.621 1.00 4.41 H new ATOM 0 HB3 ARG A 48 -4.015 0.851 -8.099 1.00 4.41 H new ATOM 0 HG2 ARG A 48 -3.363 2.024 -5.714 1.00 71.23 H new ATOM 0 HG3 ARG A 48 -4.124 3.374 -6.531 1.00 71.23 H new ATOM 0 HD2 ARG A 48 -5.332 0.621 -6.059 1.00 70.24 H new ATOM 0 HD3 ARG A 48 -5.806 2.117 -5.280 1.00 70.24 H new ATOM 0 HE ARG A 48 -6.016 2.181 -8.211 1.00 12.32 H new ATOM 0 HH11 ARG A 48 -7.600 1.423 -5.148 1.00 60.51 H new ATOM 0 HH12 ARG A 48 -9.227 1.578 -5.818 1.00 60.51 H new ATOM 0 HH21 ARG A 48 -8.110 2.377 -9.065 1.00 13.43 H new ATOM 0 HH22 ARG A 48 -9.515 2.116 -8.026 1.00 13.43 H new ATOM 749 N ASP A 49 -1.251 3.439 -6.504 1.00 60.22 N ATOM 750 CA ASP A 49 -0.590 4.714 -6.251 1.00 20.33 C ATOM 751 C ASP A 49 0.897 4.630 -6.582 1.00 12.31 C ATOM 752 O ASP A 49 1.488 5.591 -7.073 1.00 2.32 O ATOM 753 CB ASP A 49 -0.777 5.128 -4.790 1.00 54.24 C ATOM 754 CG ASP A 49 -2.214 4.984 -4.327 1.00 62.14 C ATOM 755 OD1 ASP A 49 -3.118 4.980 -5.189 1.00 62.23 O ATOM 756 OD2 ASP A 49 -2.434 4.874 -3.103 1.00 41.03 O ATOM 0 H ASP A 49 -1.679 3.015 -5.681 1.00 60.22 H new ATOM 0 HA ASP A 49 -1.046 5.466 -6.895 1.00 20.33 H new ATOM 0 HB2 ASP A 49 -0.132 4.519 -4.157 1.00 54.24 H new ATOM 0 HB3 ASP A 49 -0.460 6.163 -4.665 1.00 54.24 H new ATOM 761 N ALA A 50 1.495 3.475 -6.309 1.00 12.33 N ATOM 762 CA ALA A 50 2.912 3.266 -6.578 1.00 51.25 C ATOM 763 C ALA A 50 3.163 3.067 -8.069 1.00 63.42 C ATOM 764 O ALA A 50 4.140 3.577 -8.616 1.00 62.24 O ATOM 765 CB ALA A 50 3.429 2.072 -5.790 1.00 13.34 C ATOM 0 H ALA A 50 1.020 2.670 -5.902 1.00 12.33 H new ATOM 0 HA ALA A 50 3.452 4.158 -6.260 1.00 51.25 H new ATOM 0 HB1 ALA A 50 4.489 1.928 -6.001 1.00 13.34 H new ATOM 0 HB2 ALA A 50 3.293 2.253 -4.724 1.00 13.34 H new ATOM 0 HB3 ALA A 50 2.877 1.178 -6.080 1.00 13.34 H new ATOM 771 N GLU A 51 2.276 2.321 -8.720 1.00 32.22 N ATOM 772 CA GLU A 51 2.404 2.053 -10.148 1.00 11.35 C ATOM 773 C GLU A 51 2.360 3.350 -10.950 1.00 54.32 C ATOM 774 O GLU A 51 3.186 3.574 -11.835 1.00 3.14 O ATOM 775 CB GLU A 51 1.291 1.113 -10.615 1.00 12.12 C ATOM 776 CG GLU A 51 1.800 -0.118 -11.346 1.00 5.42 C ATOM 777 CD GLU A 51 0.712 -1.145 -11.588 1.00 12.03 C ATOM 778 OE1 GLU A 51 -0.474 -0.756 -11.624 1.00 72.20 O ATOM 779 OE2 GLU A 51 1.047 -2.338 -11.741 1.00 33.41 O ATOM 0 H GLU A 51 1.461 1.892 -8.282 1.00 32.22 H new ATOM 0 HA GLU A 51 3.368 1.574 -10.317 1.00 11.35 H new ATOM 0 HB2 GLU A 51 0.708 0.796 -9.750 1.00 12.12 H new ATOM 0 HB3 GLU A 51 0.615 1.661 -11.271 1.00 12.12 H new ATOM 0 HG2 GLU A 51 2.229 0.183 -12.302 1.00 5.42 H new ATOM 0 HG3 GLU A 51 2.602 -0.574 -10.766 1.00 5.42 H new ATOM 786 N ASP A 52 1.389 4.201 -10.636 1.00 32.34 N ATOM 787 CA ASP A 52 1.236 5.476 -11.326 1.00 73.14 C ATOM 788 C ASP A 52 2.348 6.443 -10.935 1.00 4.25 C ATOM 789 O ASP A 52 2.988 7.049 -11.793 1.00 41.53 O ATOM 790 CB ASP A 52 -0.128 6.092 -11.009 1.00 22.22 C ATOM 791 CG ASP A 52 -1.276 5.282 -11.579 1.00 43.31 C ATOM 792 OD1 ASP A 52 -1.063 4.583 -12.591 1.00 64.31 O ATOM 793 OD2 ASP A 52 -2.388 5.349 -11.014 1.00 24.12 O ATOM 0 H ASP A 52 0.696 4.030 -9.907 1.00 32.34 H new ATOM 0 HA ASP A 52 1.302 5.290 -12.398 1.00 73.14 H new ATOM 0 HB2 ASP A 52 -0.245 6.172 -9.928 1.00 22.22 H new ATOM 0 HB3 ASP A 52 -0.168 7.105 -11.410 1.00 22.22 H new ATOM 798 N ALA A 53 2.573 6.583 -9.632 1.00 74.20 N ATOM 799 CA ALA A 53 3.608 7.475 -9.127 1.00 1.45 C ATOM 800 C ALA A 53 4.978 7.096 -9.679 1.00 72.21 C ATOM 801 O ALA A 53 5.811 7.961 -9.950 1.00 33.10 O ATOM 802 CB ALA A 53 3.626 7.455 -7.605 1.00 63.43 C ATOM 0 H ALA A 53 2.052 6.089 -8.908 1.00 74.20 H new ATOM 0 HA ALA A 53 3.377 8.486 -9.464 1.00 1.45 H new ATOM 0 HB1 ALA A 53 4.404 8.126 -7.241 1.00 63.43 H new ATOM 0 HB2 ALA A 53 2.658 7.782 -7.225 1.00 63.43 H new ATOM 0 HB3 ALA A 53 3.829 6.442 -7.257 1.00 63.43 H new ATOM 808 N VAL A 54 5.205 5.796 -9.844 1.00 1.45 N ATOM 809 CA VAL A 54 6.474 5.302 -10.364 1.00 41.23 C ATOM 810 C VAL A 54 6.591 5.559 -11.862 1.00 52.25 C ATOM 811 O VAL A 54 7.514 6.235 -12.317 1.00 24.14 O ATOM 812 CB VAL A 54 6.641 3.794 -10.099 1.00 13.23 C ATOM 813 CG1 VAL A 54 7.667 3.195 -11.048 1.00 73.23 C ATOM 814 CG2 VAL A 54 7.036 3.549 -8.650 1.00 55.22 C ATOM 0 H VAL A 54 4.526 5.067 -9.625 1.00 1.45 H new ATOM 0 HA VAL A 54 7.262 5.844 -9.842 1.00 41.23 H new ATOM 0 HB VAL A 54 5.685 3.303 -10.280 1.00 13.23 H new ATOM 0 HG11 VAL A 54 7.771 2.129 -10.845 1.00 73.23 H new ATOM 0 HG12 VAL A 54 7.338 3.338 -12.077 1.00 73.23 H new ATOM 0 HG13 VAL A 54 8.628 3.688 -10.903 1.00 73.23 H new ATOM 0 HG21 VAL A 54 7.150 2.478 -8.480 1.00 55.22 H new ATOM 0 HG22 VAL A 54 7.980 4.052 -8.440 1.00 55.22 H new ATOM 0 HG23 VAL A 54 6.262 3.941 -7.991 1.00 55.22 H new ATOM 824 N ARG A 55 5.648 5.016 -12.626 1.00 11.24 N ATOM 825 CA ARG A 55 5.645 5.186 -14.074 1.00 2.14 C ATOM 826 C ARG A 55 5.782 6.659 -14.448 1.00 61.14 C ATOM 827 O ARG A 55 6.391 6.998 -15.462 1.00 72.14 O ATOM 828 CB ARG A 55 4.359 4.614 -14.673 1.00 65.41 C ATOM 829 CG ARG A 55 3.727 5.509 -15.726 1.00 13.35 C ATOM 830 CD ARG A 55 2.489 4.867 -16.332 1.00 41.25 C ATOM 831 NE ARG A 55 1.874 5.717 -17.348 1.00 51.15 N ATOM 832 CZ ARG A 55 0.731 5.423 -17.959 1.00 3.22 C ATOM 833 NH1 ARG A 55 0.083 4.307 -17.657 1.00 72.22 N ATOM 834 NH2 ARG A 55 0.235 6.247 -18.873 1.00 11.12 N ATOM 0 H ARG A 55 4.876 4.455 -12.266 1.00 11.24 H new ATOM 0 HA ARG A 55 6.499 4.644 -14.481 1.00 2.14 H new ATOM 0 HB2 ARG A 55 4.576 3.642 -15.117 1.00 65.41 H new ATOM 0 HB3 ARG A 55 3.639 4.445 -13.872 1.00 65.41 H new ATOM 0 HG2 ARG A 55 3.460 6.466 -15.279 1.00 13.35 H new ATOM 0 HG3 ARG A 55 4.453 5.716 -16.512 1.00 13.35 H new ATOM 0 HD2 ARG A 55 2.758 3.908 -16.776 1.00 41.25 H new ATOM 0 HD3 ARG A 55 1.764 4.662 -15.544 1.00 41.25 H new ATOM 0 HE ARG A 55 2.348 6.584 -17.603 1.00 51.15 H new ATOM 0 HH11 ARG A 55 0.461 3.672 -16.954 1.00 72.22 H new ATOM 0 HH12 ARG A 55 -0.794 4.083 -18.127 1.00 72.22 H new ATOM 0 HH21 ARG A 55 0.731 7.107 -19.107 1.00 11.12 H new ATOM 0 HH22 ARG A 55 -0.642 6.021 -19.341 1.00 11.12 H new ATOM 848 N GLY A 56 5.211 7.530 -13.623 1.00 14.35 N ATOM 849 CA GLY A 56 5.280 8.956 -13.885 1.00 34.03 C ATOM 850 C GLY A 56 6.628 9.547 -13.525 1.00 64.15 C ATOM 851 O GLY A 56 7.306 10.129 -14.374 1.00 73.21 O ATOM 0 H GLY A 56 4.701 7.274 -12.777 1.00 14.35 H new ATOM 0 HA2 GLY A 56 5.077 9.139 -14.940 1.00 34.03 H new ATOM 0 HA3 GLY A 56 4.501 9.465 -13.318 1.00 34.03 H new ATOM 855 N LEU A 57 7.020 9.400 -12.265 1.00 31.14 N ATOM 856 CA LEU A 57 8.297 9.925 -11.794 1.00 11.32 C ATOM 857 C LEU A 57 9.455 9.347 -12.601 1.00 54.34 C ATOM 858 O LEU A 57 10.467 10.013 -12.818 1.00 51.52 O ATOM 859 CB LEU A 57 8.486 9.606 -10.310 1.00 10.33 C ATOM 860 CG LEU A 57 7.978 10.662 -9.326 1.00 64.44 C ATOM 861 CD1 LEU A 57 6.538 11.034 -9.640 1.00 34.15 C ATOM 862 CD2 LEU A 57 8.103 10.160 -7.895 1.00 13.30 C ATOM 0 H LEU A 57 6.472 8.921 -11.550 1.00 31.14 H new ATOM 0 HA LEU A 57 8.289 11.007 -11.929 1.00 11.32 H new ATOM 0 HB2 LEU A 57 7.981 8.664 -10.094 1.00 10.33 H new ATOM 0 HB3 LEU A 57 9.549 9.448 -10.125 1.00 10.33 H new ATOM 0 HG LEU A 57 8.593 11.556 -9.431 1.00 64.44 H new ATOM 0 HD11 LEU A 57 6.193 11.786 -8.930 1.00 34.15 H new ATOM 0 HD12 LEU A 57 6.478 11.435 -10.652 1.00 34.15 H new ATOM 0 HD13 LEU A 57 5.908 10.148 -9.564 1.00 34.15 H new ATOM 0 HD21 LEU A 57 7.737 10.923 -7.208 1.00 13.30 H new ATOM 0 HD22 LEU A 57 7.513 9.251 -7.775 1.00 13.30 H new ATOM 0 HD23 LEU A 57 9.149 9.945 -7.675 1.00 13.30 H new ATOM 874 N ASP A 58 9.297 8.105 -13.046 1.00 0.33 N ATOM 875 CA ASP A 58 10.328 7.438 -13.833 1.00 12.33 C ATOM 876 C ASP A 58 10.196 7.791 -15.311 1.00 3.31 C ATOM 877 O ASP A 58 11.194 7.932 -16.017 1.00 52.30 O ATOM 878 CB ASP A 58 10.240 5.923 -13.648 1.00 32.43 C ATOM 879 CG ASP A 58 11.605 5.269 -13.567 1.00 23.00 C ATOM 880 OD1 ASP A 58 12.517 5.872 -12.963 1.00 55.21 O ATOM 881 OD2 ASP A 58 11.763 4.154 -14.108 1.00 50.54 O ATOM 0 H ASP A 58 8.465 7.540 -12.875 1.00 0.33 H new ATOM 0 HA ASP A 58 11.300 7.783 -13.481 1.00 12.33 H new ATOM 0 HB2 ASP A 58 9.680 5.703 -12.739 1.00 32.43 H new ATOM 0 HB3 ASP A 58 9.682 5.490 -14.478 1.00 32.43 H new ATOM 886 N GLY A 59 8.957 7.932 -15.773 1.00 24.40 N ATOM 887 CA GLY A 59 8.718 8.266 -17.165 1.00 21.52 C ATOM 888 C GLY A 59 9.323 9.600 -17.553 1.00 64.23 C ATOM 889 O GLY A 59 9.908 9.736 -18.628 1.00 54.14 O ATOM 0 H GLY A 59 8.115 7.821 -15.208 1.00 24.40 H new ATOM 0 HA2 GLY A 59 9.134 7.484 -17.800 1.00 21.52 H new ATOM 0 HA3 GLY A 59 7.644 8.290 -17.351 1.00 21.52 H new ATOM 893 N LYS A 60 9.183 10.589 -16.677 1.00 72.12 N ATOM 894 CA LYS A 60 9.719 11.920 -16.933 1.00 45.30 C ATOM 895 C LYS A 60 10.341 12.508 -15.670 1.00 40.22 C ATOM 896 O LYS A 60 10.576 11.797 -14.693 1.00 42.31 O ATOM 897 CB LYS A 60 8.616 12.847 -17.450 1.00 65.52 C ATOM 898 CG LYS A 60 8.016 12.398 -18.771 1.00 53.53 C ATOM 899 CD LYS A 60 8.439 13.307 -19.913 1.00 65.02 C ATOM 900 CE LYS A 60 9.689 12.785 -20.606 1.00 53.24 C ATOM 901 NZ LYS A 60 9.599 12.920 -22.087 1.00 32.22 N ATOM 0 H LYS A 60 8.702 10.493 -15.783 1.00 72.12 H new ATOM 0 HA LYS A 60 10.496 11.831 -17.693 1.00 45.30 H new ATOM 0 HB2 LYS A 60 7.825 12.909 -16.703 1.00 65.52 H new ATOM 0 HB3 LYS A 60 9.022 13.852 -17.568 1.00 65.52 H new ATOM 0 HG2 LYS A 60 8.327 11.375 -18.984 1.00 53.53 H new ATOM 0 HG3 LYS A 60 6.929 12.391 -18.694 1.00 53.53 H new ATOM 0 HD2 LYS A 60 7.627 13.387 -20.636 1.00 65.02 H new ATOM 0 HD3 LYS A 60 8.626 14.311 -19.531 1.00 65.02 H new ATOM 0 HE2 LYS A 60 10.560 13.331 -20.244 1.00 53.24 H new ATOM 0 HE3 LYS A 60 9.838 11.737 -20.345 1.00 53.24 H new ATOM 0 HZ1 LYS A 60 10.469 12.554 -22.523 1.00 32.22 H new ATOM 0 HZ2 LYS A 60 8.783 12.378 -22.436 1.00 32.22 H new ATOM 0 HZ3 LYS A 60 9.482 13.923 -22.338 1.00 32.22 H new ATOM 915 N VAL A 61 10.604 13.811 -15.697 1.00 13.03 N ATOM 916 CA VAL A 61 11.195 14.495 -14.553 1.00 64.10 C ATOM 917 C VAL A 61 10.144 15.281 -13.778 1.00 73.13 C ATOM 918 O VAL A 61 9.181 15.787 -14.357 1.00 24.43 O ATOM 919 CB VAL A 61 12.318 15.454 -14.992 1.00 14.41 C ATOM 920 CG1 VAL A 61 13.312 14.737 -15.892 1.00 1.12 C ATOM 921 CG2 VAL A 61 11.733 16.672 -15.693 1.00 24.33 C ATOM 0 H VAL A 61 10.417 14.414 -16.498 1.00 13.03 H new ATOM 0 HA VAL A 61 11.616 13.725 -13.907 1.00 64.10 H new ATOM 0 HB VAL A 61 12.850 15.794 -14.104 1.00 14.41 H new ATOM 0 HG11 VAL A 61 14.098 15.431 -16.192 1.00 1.12 H new ATOM 0 HG12 VAL A 61 13.754 13.900 -15.352 1.00 1.12 H new ATOM 0 HG13 VAL A 61 12.798 14.366 -16.779 1.00 1.12 H new ATOM 0 HG21 VAL A 61 12.540 17.339 -15.997 1.00 24.33 H new ATOM 0 HG22 VAL A 61 11.176 16.352 -16.573 1.00 24.33 H new ATOM 0 HG23 VAL A 61 11.064 17.198 -15.011 1.00 24.33 H new ATOM 931 N ILE A 62 10.334 15.380 -12.467 1.00 41.10 N ATOM 932 CA ILE A 62 9.402 16.106 -11.613 1.00 44.21 C ATOM 933 C ILE A 62 10.071 17.320 -10.977 1.00 43.34 C ATOM 934 O ILE A 62 11.097 17.196 -10.306 1.00 53.44 O ATOM 935 CB ILE A 62 8.838 15.204 -10.500 1.00 62.51 C ATOM 936 CG1 ILE A 62 7.999 16.028 -9.521 1.00 65.41 C ATOM 937 CG2 ILE A 62 9.969 14.493 -9.770 1.00 55.42 C ATOM 938 CD1 ILE A 62 8.757 16.448 -8.281 1.00 44.24 C ATOM 0 H ILE A 62 11.125 14.967 -11.973 1.00 41.10 H new ATOM 0 HA ILE A 62 8.583 16.437 -12.251 1.00 44.21 H new ATOM 0 HB ILE A 62 8.195 14.450 -10.955 1.00 62.51 H new ATOM 0 HG12 ILE A 62 7.630 16.918 -10.031 1.00 65.41 H new ATOM 0 HG13 ILE A 62 7.126 15.446 -9.224 1.00 65.41 H new ATOM 0 HG21 ILE A 62 9.554 13.859 -8.986 1.00 55.42 H new ATOM 0 HG22 ILE A 62 10.528 13.879 -10.476 1.00 55.42 H new ATOM 0 HG23 ILE A 62 10.636 15.232 -9.325 1.00 55.42 H new ATOM 0 HD11 ILE A 62 8.101 17.028 -7.632 1.00 44.24 H new ATOM 0 HD12 ILE A 62 9.103 15.562 -7.748 1.00 44.24 H new ATOM 0 HD13 ILE A 62 9.615 17.057 -8.568 1.00 44.24 H new ATOM 950 N CYS A 63 9.484 18.492 -11.191 1.00 54.14 N ATOM 951 CA CYS A 63 10.022 19.730 -10.638 1.00 70.23 C ATOM 952 C CYS A 63 11.525 19.824 -10.878 1.00 62.04 C ATOM 953 O CYS A 63 12.282 20.219 -9.993 1.00 22.24 O ATOM 954 CB CYS A 63 9.726 19.814 -9.140 1.00 42.42 C ATOM 955 SG CYS A 63 9.330 21.480 -8.559 1.00 12.00 S ATOM 0 H CYS A 63 8.635 18.611 -11.744 1.00 54.14 H new ATOM 0 HA CYS A 63 9.539 20.566 -11.144 1.00 70.23 H new ATOM 0 HB2 CYS A 63 8.892 19.152 -8.907 1.00 42.42 H new ATOM 0 HB3 CYS A 63 10.590 19.444 -8.588 1.00 42.42 H new ATOM 0 HG CYS A 63 10.356 22.258 -8.739 1.00 12.00 H new ATOM 961 N GLY A 64 11.951 19.457 -12.083 1.00 62.42 N ATOM 962 CA GLY A 64 13.363 19.505 -12.418 1.00 15.13 C ATOM 963 C GLY A 64 14.160 18.418 -11.725 1.00 62.03 C ATOM 964 O GLY A 64 15.325 18.617 -11.381 1.00 1.21 O ATOM 0 H GLY A 64 11.344 19.127 -12.833 1.00 62.42 H new ATOM 0 HA2 GLY A 64 13.481 19.406 -13.497 1.00 15.13 H new ATOM 0 HA3 GLY A 64 13.766 20.479 -12.141 1.00 15.13 H new ATOM 968 N SER A 65 13.532 17.265 -11.519 1.00 54.11 N ATOM 969 CA SER A 65 14.189 16.144 -10.858 1.00 32.21 C ATOM 970 C SER A 65 14.076 14.876 -11.699 1.00 22.44 C ATOM 971 O SER A 65 13.049 14.197 -11.684 1.00 0.21 O ATOM 972 CB SER A 65 13.576 15.909 -9.476 1.00 1.12 C ATOM 973 OG SER A 65 13.270 17.137 -8.838 1.00 51.15 O ATOM 0 H SER A 65 12.569 17.083 -11.800 1.00 54.11 H new ATOM 0 HA SER A 65 15.245 16.390 -10.742 1.00 32.21 H new ATOM 0 HB2 SER A 65 12.670 15.311 -9.574 1.00 1.12 H new ATOM 0 HB3 SER A 65 14.270 15.338 -8.859 1.00 1.12 H new ATOM 0 HG SER A 65 12.400 17.461 -9.152 1.00 51.15 H new ATOM 979 N ARG A 66 15.140 14.562 -12.431 1.00 2.42 N ATOM 980 CA ARG A 66 15.162 13.377 -13.279 1.00 74.03 C ATOM 981 C ARG A 66 15.633 12.156 -12.495 1.00 73.42 C ATOM 982 O ARG A 66 16.509 11.416 -12.944 1.00 55.24 O ATOM 983 CB ARG A 66 16.073 13.604 -14.486 1.00 44.15 C ATOM 984 CG ARG A 66 17.528 13.843 -14.115 1.00 14.31 C ATOM 985 CD ARG A 66 17.954 15.270 -14.424 1.00 21.14 C ATOM 986 NE ARG A 66 19.357 15.348 -14.821 1.00 23.11 N ATOM 987 CZ ARG A 66 20.370 15.173 -13.980 1.00 21.24 C ATOM 988 NH1 ARG A 66 20.137 14.911 -12.701 1.00 75.31 N ATOM 989 NH2 ARG A 66 21.620 15.259 -14.417 1.00 10.32 N ATOM 0 H ARG A 66 15.998 15.112 -12.454 1.00 2.42 H new ATOM 0 HA ARG A 66 14.146 13.193 -13.629 1.00 74.03 H new ATOM 0 HB2 ARG A 66 16.012 12.737 -15.144 1.00 44.15 H new ATOM 0 HB3 ARG A 66 15.706 14.460 -15.052 1.00 44.15 H new ATOM 0 HG2 ARG A 66 17.672 13.641 -13.054 1.00 14.31 H new ATOM 0 HG3 ARG A 66 18.163 13.146 -14.661 1.00 14.31 H new ATOM 0 HD2 ARG A 66 17.329 15.670 -15.222 1.00 21.14 H new ATOM 0 HD3 ARG A 66 17.790 15.895 -13.546 1.00 21.14 H new ATOM 0 HE ARG A 66 19.571 15.548 -15.798 1.00 23.11 H new ATOM 0 HH11 ARG A 66 19.178 14.843 -12.361 1.00 75.31 H new ATOM 0 HH12 ARG A 66 20.917 14.777 -12.058 1.00 75.31 H new ATOM 0 HH21 ARG A 66 21.804 15.460 -15.400 1.00 10.32 H new ATOM 0 HH22 ARG A 66 22.397 15.124 -13.770 1.00 10.32 H new ATOM 1003 N VAL A 67 15.046 11.951 -11.320 1.00 73.53 N ATOM 1004 CA VAL A 67 15.405 10.819 -10.474 1.00 15.14 C ATOM 1005 C VAL A 67 15.005 9.499 -11.123 1.00 21.45 C ATOM 1006 O VAL A 67 14.427 9.479 -12.209 1.00 42.24 O ATOM 1007 CB VAL A 67 14.737 10.920 -9.089 1.00 5.40 C ATOM 1008 CG1 VAL A 67 15.122 12.223 -8.405 1.00 4.23 C ATOM 1009 CG2 VAL A 67 13.226 10.802 -9.216 1.00 62.41 C ATOM 0 H VAL A 67 14.320 12.554 -10.933 1.00 73.53 H new ATOM 0 HA VAL A 67 16.488 10.847 -10.351 1.00 15.14 H new ATOM 0 HB VAL A 67 15.092 10.094 -8.473 1.00 5.40 H new ATOM 0 HG11 VAL A 67 14.641 12.277 -7.428 1.00 4.23 H new ATOM 0 HG12 VAL A 67 16.204 12.262 -8.279 1.00 4.23 H new ATOM 0 HG13 VAL A 67 14.797 13.065 -9.017 1.00 4.23 H new ATOM 0 HG21 VAL A 67 12.771 10.875 -8.228 1.00 62.41 H new ATOM 0 HG22 VAL A 67 12.850 11.606 -9.849 1.00 62.41 H new ATOM 0 HG23 VAL A 67 12.972 9.840 -9.662 1.00 62.41 H new ATOM 1019 N ARG A 68 15.317 8.396 -10.449 1.00 13.34 N ATOM 1020 CA ARG A 68 14.991 7.070 -10.960 1.00 12.50 C ATOM 1021 C ARG A 68 14.207 6.267 -9.927 1.00 34.13 C ATOM 1022 O ARG A 68 14.769 5.780 -8.946 1.00 63.21 O ATOM 1023 CB ARG A 68 16.268 6.320 -11.343 1.00 52.30 C ATOM 1024 CG ARG A 68 16.312 5.898 -12.802 1.00 74.05 C ATOM 1025 CD ARG A 68 17.069 6.907 -13.652 1.00 21.42 C ATOM 1026 NE ARG A 68 16.292 7.341 -14.809 1.00 73.03 N ATOM 1027 CZ ARG A 68 16.724 8.235 -15.692 1.00 24.51 C ATOM 1028 NH1 ARG A 68 17.922 8.785 -15.550 1.00 1.22 N ATOM 1029 NH2 ARG A 68 15.959 8.578 -16.719 1.00 54.55 N ATOM 0 H ARG A 68 15.795 8.395 -9.548 1.00 13.34 H new ATOM 0 HA ARG A 68 14.370 7.192 -11.847 1.00 12.50 H new ATOM 0 HB2 ARG A 68 17.129 6.954 -11.131 1.00 52.30 H new ATOM 0 HB3 ARG A 68 16.362 5.434 -10.714 1.00 52.30 H new ATOM 0 HG2 ARG A 68 16.788 4.921 -12.885 1.00 74.05 H new ATOM 0 HG3 ARG A 68 15.296 5.791 -13.182 1.00 74.05 H new ATOM 0 HD2 ARG A 68 17.326 7.773 -13.043 1.00 21.42 H new ATOM 0 HD3 ARG A 68 18.006 6.465 -13.990 1.00 21.42 H new ATOM 0 HE ARG A 68 15.366 6.936 -14.947 1.00 73.03 H new ATOM 0 HH11 ARG A 68 18.514 8.522 -14.762 1.00 1.22 H new ATOM 0 HH12 ARG A 68 18.252 9.471 -16.229 1.00 1.22 H new ATOM 0 HH21 ARG A 68 15.038 8.156 -16.832 1.00 54.55 H new ATOM 0 HH22 ARG A 68 16.292 9.264 -17.396 1.00 54.55 H new ATOM 1043 N VAL A 69 12.904 6.133 -10.153 1.00 74.04 N ATOM 1044 CA VAL A 69 12.042 5.388 -9.243 1.00 52.41 C ATOM 1045 C VAL A 69 11.560 4.090 -9.881 1.00 24.02 C ATOM 1046 O VAL A 69 11.270 4.045 -11.076 1.00 32.24 O ATOM 1047 CB VAL A 69 10.819 6.223 -8.819 1.00 1.42 C ATOM 1048 CG1 VAL A 69 10.133 6.823 -10.037 1.00 1.02 C ATOM 1049 CG2 VAL A 69 9.847 5.373 -8.014 1.00 4.50 C ATOM 0 H VAL A 69 12.422 6.531 -10.959 1.00 74.04 H new ATOM 0 HA VAL A 69 12.639 5.156 -8.361 1.00 52.41 H new ATOM 0 HB VAL A 69 11.162 7.041 -8.185 1.00 1.42 H new ATOM 0 HG11 VAL A 69 9.271 7.409 -9.717 1.00 1.02 H new ATOM 0 HG12 VAL A 69 10.833 7.467 -10.569 1.00 1.02 H new ATOM 0 HG13 VAL A 69 9.802 6.023 -10.699 1.00 1.02 H new ATOM 0 HG21 VAL A 69 8.989 5.979 -7.723 1.00 4.50 H new ATOM 0 HG22 VAL A 69 9.509 4.533 -8.621 1.00 4.50 H new ATOM 0 HG23 VAL A 69 10.346 4.997 -7.121 1.00 4.50 H new ATOM 1059 N GLU A 70 11.478 3.036 -9.075 1.00 2.13 N ATOM 1060 CA GLU A 70 11.032 1.736 -9.561 1.00 72.03 C ATOM 1061 C GLU A 70 10.299 0.967 -8.465 1.00 44.05 C ATOM 1062 O GLU A 70 10.369 1.323 -7.288 1.00 40.44 O ATOM 1063 CB GLU A 70 12.223 0.918 -10.064 1.00 43.31 C ATOM 1064 CG GLU A 70 12.034 0.367 -11.467 1.00 63.33 C ATOM 1065 CD GLU A 70 13.344 0.216 -12.216 1.00 61.22 C ATOM 1066 OE1 GLU A 70 14.403 0.167 -11.555 1.00 54.10 O ATOM 1067 OE2 GLU A 70 13.311 0.147 -13.462 1.00 61.15 O ATOM 0 H GLU A 70 11.715 3.057 -8.083 1.00 2.13 H new ATOM 0 HA GLU A 70 10.341 1.904 -10.387 1.00 72.03 H new ATOM 0 HB2 GLU A 70 13.116 1.543 -10.045 1.00 43.31 H new ATOM 0 HB3 GLU A 70 12.400 0.089 -9.378 1.00 43.31 H new ATOM 0 HG2 GLU A 70 11.539 -0.602 -11.409 1.00 63.33 H new ATOM 0 HG3 GLU A 70 11.374 1.029 -12.027 1.00 63.33 H new ATOM 1074 N LEU A 71 9.597 -0.089 -8.861 1.00 21.15 N ATOM 1075 CA LEU A 71 8.850 -0.909 -7.913 1.00 25.40 C ATOM 1076 C LEU A 71 9.493 -2.284 -7.758 1.00 61.15 C ATOM 1077 O LEU A 71 9.658 -3.016 -8.734 1.00 60.50 O ATOM 1078 CB LEU A 71 7.399 -1.061 -8.372 1.00 43.02 C ATOM 1079 CG LEU A 71 7.145 -0.871 -9.868 1.00 43.20 C ATOM 1080 CD1 LEU A 71 7.790 -1.993 -10.666 1.00 22.41 C ATOM 1081 CD2 LEU A 71 5.652 -0.803 -10.151 1.00 14.21 C ATOM 0 H LEU A 71 9.529 -0.398 -9.831 1.00 21.15 H new ATOM 0 HA LEU A 71 8.868 -0.408 -6.945 1.00 25.40 H new ATOM 0 HB2 LEU A 71 7.051 -2.054 -8.088 1.00 43.02 H new ATOM 0 HB3 LEU A 71 6.789 -0.341 -7.826 1.00 43.02 H new ATOM 0 HG LEU A 71 7.596 0.072 -10.176 1.00 43.20 H new ATOM 0 HD11 LEU A 71 7.599 -1.841 -11.728 1.00 22.41 H new ATOM 0 HD12 LEU A 71 8.865 -1.995 -10.488 1.00 22.41 H new ATOM 0 HD13 LEU A 71 7.369 -2.949 -10.355 1.00 22.41 H new ATOM 0 HD21 LEU A 71 5.490 -0.668 -11.220 1.00 14.21 H new ATOM 0 HD22 LEU A 71 5.178 -1.729 -9.827 1.00 14.21 H new ATOM 0 HD23 LEU A 71 5.217 0.037 -9.609 1.00 14.21 H new ATOM 1093 N SER A 72 9.852 -2.629 -6.526 1.00 1.31 N ATOM 1094 CA SER A 72 10.478 -3.915 -6.244 1.00 21.14 C ATOM 1095 C SER A 72 9.453 -5.043 -6.305 1.00 72.31 C ATOM 1096 O SER A 72 9.784 -6.182 -6.636 1.00 32.50 O ATOM 1097 CB SER A 72 11.144 -3.891 -4.867 1.00 3.34 C ATOM 1098 OG SER A 72 11.017 -5.143 -4.216 1.00 61.32 O ATOM 0 H SER A 72 9.720 -2.036 -5.707 1.00 1.31 H new ATOM 0 HA SER A 72 11.238 -4.096 -7.004 1.00 21.14 H new ATOM 0 HB2 SER A 72 12.199 -3.639 -4.974 1.00 3.34 H new ATOM 0 HB3 SER A 72 10.691 -3.112 -4.254 1.00 3.34 H new ATOM 0 HG SER A 72 11.452 -5.101 -3.339 1.00 61.32 H new