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 15:sc= 1.99 USER MOD Single : A 7 ASN : amide:sc= -1.65 K(o=-1.6,f=-0.42) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -79:sc= -0.0927 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= -0.0998 USER MOD Single : A 35 ASN : amide:sc= -0.138 K(o=-0.14,f=-0.87) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -130:sc= -1.29 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 5.181 -1.791 -3.241 1.00 13.43 N ATOM 19 CA LYS A 2 6.532 -1.394 -2.863 1.00 12.43 C ATOM 20 C LYS A 2 7.138 -0.463 -3.909 1.00 22.35 C ATOM 21 O LYS A 2 7.040 -0.715 -5.110 1.00 21.34 O ATOM 22 CB LYS A 2 7.418 -2.629 -2.688 1.00 44.30 C ATOM 23 CG LYS A 2 7.309 -3.267 -1.314 1.00 54.21 C ATOM 24 CD LYS A 2 8.638 -3.845 -0.860 1.00 64.20 C ATOM 25 CE LYS A 2 8.442 -5.006 0.103 1.00 75.13 C ATOM 26 NZ LYS A 2 8.009 -4.542 1.450 1.00 73.20 N ATOM 0 HA LYS A 2 6.475 -0.858 -1.915 1.00 12.43 H new ATOM 0 HB2 LYS A 2 7.151 -3.367 -3.444 1.00 44.30 H new ATOM 0 HB3 LYS A 2 8.456 -2.349 -2.868 1.00 44.30 H new ATOM 0 HG2 LYS A 2 6.969 -2.524 -0.593 1.00 54.21 H new ATOM 0 HG3 LYS A 2 6.557 -4.056 -1.337 1.00 54.21 H new ATOM 0 HD2 LYS A 2 9.204 -4.183 -1.728 1.00 64.20 H new ATOM 0 HD3 LYS A 2 9.229 -3.066 -0.377 1.00 64.20 H new ATOM 0 HE2 LYS A 2 7.698 -5.692 -0.302 1.00 75.13 H new ATOM 0 HE3 LYS A 2 9.374 -5.564 0.193 1.00 75.13 H new ATOM 0 HZ1 LYS A 2 7.886 -5.363 2.077 1.00 73.20 H new ATOM 0 HZ2 LYS A 2 8.731 -3.908 1.847 1.00 73.20 H new ATOM 0 HZ3 LYS A 2 7.107 -4.031 1.368 1.00 73.20 H new ATOM 40 N VAL A 3 7.766 0.612 -3.444 1.00 43.33 N ATOM 41 CA VAL A 3 8.391 1.579 -4.340 1.00 21.35 C ATOM 42 C VAL A 3 9.816 1.894 -3.899 1.00 41.52 C ATOM 43 O VAL A 3 10.125 1.886 -2.707 1.00 60.14 O ATOM 44 CB VAL A 3 7.583 2.888 -4.404 1.00 1.44 C ATOM 45 CG1 VAL A 3 8.001 3.715 -5.610 1.00 1.41 C ATOM 46 CG2 VAL A 3 6.091 2.592 -4.441 1.00 4.42 C ATOM 0 H VAL A 3 7.856 0.836 -2.453 1.00 43.33 H new ATOM 0 HA VAL A 3 8.412 1.126 -5.331 1.00 21.35 H new ATOM 0 HB VAL A 3 7.793 3.468 -3.505 1.00 1.44 H new ATOM 0 HG11 VAL A 3 7.419 4.636 -5.639 1.00 1.41 H new ATOM 0 HG12 VAL A 3 9.061 3.957 -5.535 1.00 1.41 H new ATOM 0 HG13 VAL A 3 7.823 3.145 -6.522 1.00 1.41 H new ATOM 0 HG21 VAL A 3 5.535 3.529 -4.486 1.00 4.42 H new ATOM 0 HG22 VAL A 3 5.861 1.991 -5.321 1.00 4.42 H new ATOM 0 HG23 VAL A 3 5.806 2.044 -3.543 1.00 4.42 H new ATOM 56 N TYR A 4 10.681 2.173 -4.868 1.00 55.44 N ATOM 57 CA TYR A 4 12.074 2.490 -4.581 1.00 45.53 C ATOM 58 C TYR A 4 12.516 3.740 -5.337 1.00 13.31 C ATOM 59 O TYR A 4 12.512 3.770 -6.568 1.00 21.34 O ATOM 60 CB TYR A 4 12.975 1.311 -4.954 1.00 13.32 C ATOM 61 CG TYR A 4 14.211 1.714 -5.726 1.00 74.55 C ATOM 62 CD1 TYR A 4 15.312 2.260 -5.079 1.00 53.00 C ATOM 63 CD2 TYR A 4 14.277 1.546 -7.104 1.00 64.03 C ATOM 64 CE1 TYR A 4 16.442 2.630 -5.781 1.00 65.42 C ATOM 65 CE2 TYR A 4 15.405 1.911 -7.814 1.00 53.34 C ATOM 66 CZ TYR A 4 16.484 2.453 -7.148 1.00 43.15 C ATOM 67 OH TYR A 4 17.609 2.819 -7.851 1.00 65.44 O ATOM 0 H TYR A 4 10.441 2.186 -5.859 1.00 55.44 H new ATOM 0 HA TYR A 4 12.163 2.683 -3.512 1.00 45.53 H new ATOM 0 HB2 TYR A 4 13.278 0.794 -4.044 1.00 13.32 H new ATOM 0 HB3 TYR A 4 12.401 0.600 -5.548 1.00 13.32 H new ATOM 0 HD1 TYR A 4 15.284 2.398 -4.008 1.00 53.00 H new ATOM 0 HD2 TYR A 4 13.433 1.123 -7.629 1.00 64.03 H new ATOM 0 HE1 TYR A 4 17.288 3.056 -5.262 1.00 65.42 H new ATOM 0 HE2 TYR A 4 15.441 1.773 -8.884 1.00 53.34 H new ATOM 0 HH TYR A 4 18.352 2.960 -7.228 1.00 65.44 H new ATOM 77 N VAL A 5 12.896 4.772 -4.590 1.00 23.10 N ATOM 78 CA VAL A 5 13.342 6.025 -5.187 1.00 65.13 C ATOM 79 C VAL A 5 14.829 6.255 -4.936 1.00 75.24 C ATOM 80 O VAL A 5 15.231 6.641 -3.840 1.00 23.52 O ATOM 81 CB VAL A 5 12.548 7.224 -4.636 1.00 24.24 C ATOM 82 CG1 VAL A 5 11.132 7.227 -5.190 1.00 71.10 C ATOM 83 CG2 VAL A 5 12.534 7.199 -3.115 1.00 24.53 C ATOM 0 H VAL A 5 12.904 4.765 -3.570 1.00 23.10 H new ATOM 0 HA VAL A 5 13.166 5.945 -6.260 1.00 65.13 H new ATOM 0 HB VAL A 5 13.040 8.142 -4.957 1.00 24.24 H new ATOM 0 HG11 VAL A 5 10.586 8.081 -4.789 1.00 71.10 H new ATOM 0 HG12 VAL A 5 11.167 7.296 -6.277 1.00 71.10 H new ATOM 0 HG13 VAL A 5 10.626 6.306 -4.901 1.00 71.10 H new ATOM 0 HG21 VAL A 5 11.969 8.053 -2.742 1.00 24.53 H new ATOM 0 HG22 VAL A 5 12.067 6.276 -2.771 1.00 24.53 H new ATOM 0 HG23 VAL A 5 13.557 7.249 -2.741 1.00 24.53 H new ATOM 93 N GLY A 6 15.640 6.015 -5.962 1.00 5.42 N ATOM 94 CA GLY A 6 17.074 6.202 -5.832 1.00 52.25 C ATOM 95 C GLY A 6 17.587 7.350 -6.678 1.00 45.42 C ATOM 96 O GLY A 6 16.805 8.131 -7.218 1.00 13.22 O ATOM 0 H GLY A 6 15.330 5.695 -6.880 1.00 5.42 H new ATOM 0 HA2 GLY A 6 17.320 6.387 -4.786 1.00 52.25 H new ATOM 0 HA3 GLY A 6 17.585 5.284 -6.122 1.00 52.25 H new ATOM 100 N ASN A 7 18.908 7.455 -6.793 1.00 35.41 N ATOM 101 CA ASN A 7 19.525 8.518 -7.577 1.00 61.33 C ATOM 102 C ASN A 7 19.193 9.888 -6.994 1.00 33.43 C ATOM 103 O ASN A 7 18.568 10.720 -7.652 1.00 42.43 O ATOM 104 CB ASN A 7 19.058 8.444 -9.032 1.00 74.23 C ATOM 105 CG ASN A 7 19.673 7.276 -9.779 1.00 20.13 C ATOM 106 OD1 ASN A 7 20.336 7.458 -10.800 1.00 71.50 O ATOM 107 ND2 ASN A 7 19.455 6.068 -9.271 1.00 4.44 N ATOM 0 H ASN A 7 19.571 6.817 -6.353 1.00 35.41 H new ATOM 0 HA ASN A 7 20.606 8.380 -7.541 1.00 61.33 H new ATOM 0 HB2 ASN A 7 17.972 8.357 -9.058 1.00 74.23 H new ATOM 0 HB3 ASN A 7 19.315 9.373 -9.541 1.00 74.23 H new ATOM 0 HD21 ASN A 7 19.844 5.244 -9.730 1.00 4.44 H new ATOM 0 HD22 ASN A 7 18.899 5.964 -8.422 1.00 4.44 H new ATOM 114 N LEU A 8 19.615 10.115 -5.755 1.00 35.33 N ATOM 115 CA LEU A 8 19.363 11.384 -5.081 1.00 52.14 C ATOM 116 C LEU A 8 20.658 12.169 -4.898 1.00 55.52 C ATOM 117 O LEU A 8 21.424 11.914 -3.971 1.00 5.32 O ATOM 118 CB LEU A 8 18.704 11.141 -3.723 1.00 13.35 C ATOM 119 CG LEU A 8 17.442 10.277 -3.733 1.00 42.22 C ATOM 120 CD1 LEU A 8 17.257 9.586 -2.391 1.00 63.03 C ATOM 121 CD2 LEU A 8 16.222 11.120 -4.074 1.00 74.40 C ATOM 0 H LEU A 8 20.133 9.437 -5.197 1.00 35.33 H new ATOM 0 HA LEU A 8 18.689 11.971 -5.705 1.00 52.14 H new ATOM 0 HB2 LEU A 8 19.436 10.672 -3.065 1.00 13.35 H new ATOM 0 HB3 LEU A 8 18.455 12.107 -3.285 1.00 13.35 H new ATOM 0 HG LEU A 8 17.555 9.511 -4.500 1.00 42.22 H new ATOM 0 HD11 LEU A 8 16.354 8.976 -2.417 1.00 63.03 H new ATOM 0 HD12 LEU A 8 18.119 8.950 -2.187 1.00 63.03 H new ATOM 0 HD13 LEU A 8 17.165 10.336 -1.605 1.00 63.03 H new ATOM 0 HD21 LEU A 8 15.333 10.489 -4.077 1.00 74.40 H new ATOM 0 HD22 LEU A 8 16.105 11.908 -3.331 1.00 74.40 H new ATOM 0 HD23 LEU A 8 16.353 11.567 -5.059 1.00 74.40 H new ATOM 161 N ALA A 12 17.425 16.689 -3.696 1.00 61.23 N ATOM 162 CA ALA A 12 16.177 15.936 -3.734 1.00 44.20 C ATOM 163 C ALA A 12 16.218 14.757 -2.768 1.00 11.33 C ATOM 164 O ALA A 12 16.869 13.747 -3.032 1.00 54.32 O ATOM 165 CB ALA A 12 15.896 15.452 -5.149 1.00 14.23 C ATOM 0 HA ALA A 12 15.371 16.600 -3.422 1.00 44.20 H new ATOM 0 HB1 ALA A 12 14.961 14.891 -5.163 1.00 14.23 H new ATOM 0 HB2 ALA A 12 15.815 16.309 -5.817 1.00 14.23 H new ATOM 0 HB3 ALA A 12 16.710 14.808 -5.482 1.00 14.23 H new ATOM 171 N GLY A 13 15.518 14.893 -1.645 1.00 41.43 N ATOM 172 CA GLY A 13 15.489 13.832 -0.656 1.00 74.01 C ATOM 173 C GLY A 13 14.079 13.485 -0.219 1.00 40.54 C ATOM 174 O GLY A 13 13.207 13.234 -1.051 1.00 50.14 O ATOM 0 H GLY A 13 14.971 15.719 -1.403 1.00 41.43 H new ATOM 0 HA2 GLY A 13 15.968 12.943 -1.067 1.00 74.01 H new ATOM 0 HA3 GLY A 13 16.072 14.134 0.214 1.00 74.01 H new ATOM 178 N LYS A 14 13.854 13.470 1.090 1.00 10.00 N ATOM 179 CA LYS A 14 12.541 13.151 1.637 1.00 13.24 C ATOM 180 C LYS A 14 11.499 14.167 1.179 1.00 21.11 C ATOM 181 O LYS A 14 10.404 13.799 0.756 1.00 11.51 O ATOM 182 CB LYS A 14 12.597 13.117 3.166 1.00 3.34 C ATOM 183 CG LYS A 14 11.234 12.979 3.823 1.00 44.55 C ATOM 184 CD LYS A 14 10.859 14.232 4.597 1.00 71.05 C ATOM 185 CE LYS A 14 11.293 14.139 6.051 1.00 4.52 C ATOM 186 NZ LYS A 14 11.423 15.484 6.678 1.00 12.10 N ATOM 0 H LYS A 14 14.565 13.675 1.792 1.00 10.00 H new ATOM 0 HA LYS A 14 12.251 12.167 1.268 1.00 13.24 H new ATOM 0 HB2 LYS A 14 13.228 12.285 3.479 1.00 3.34 H new ATOM 0 HB3 LYS A 14 13.073 14.030 3.524 1.00 3.34 H new ATOM 0 HG2 LYS A 14 10.480 12.782 3.061 1.00 44.55 H new ATOM 0 HG3 LYS A 14 11.239 12.122 4.496 1.00 44.55 H new ATOM 0 HD2 LYS A 14 11.324 15.101 4.132 1.00 71.05 H new ATOM 0 HD3 LYS A 14 9.781 14.383 4.547 1.00 71.05 H new ATOM 0 HE2 LYS A 14 10.568 13.547 6.609 1.00 4.52 H new ATOM 0 HE3 LYS A 14 12.247 13.616 6.112 1.00 4.52 H new ATOM 0 HZ1 LYS A 14 11.721 15.378 7.669 1.00 12.10 H new ATOM 0 HZ2 LYS A 14 12.133 16.041 6.161 1.00 12.10 H new ATOM 0 HZ3 LYS A 14 10.506 15.974 6.642 1.00 12.10 H new ATOM 200 N GLY A 15 11.849 15.447 1.265 1.00 31.12 N ATOM 201 CA GLY A 15 10.933 16.495 0.854 1.00 5.34 C ATOM 202 C GLY A 15 10.586 16.417 -0.619 1.00 44.41 C ATOM 203 O GLY A 15 9.425 16.567 -0.998 1.00 23.20 O ATOM 0 H GLY A 15 12.750 15.777 1.612 1.00 31.12 H new ATOM 0 HA2 GLY A 15 10.019 16.426 1.444 1.00 5.34 H new ATOM 0 HA3 GLY A 15 11.378 17.467 1.068 1.00 5.34 H new ATOM 207 N GLU A 16 11.596 16.185 -1.452 1.00 21.51 N ATOM 208 CA GLU A 16 11.391 16.090 -2.893 1.00 11.15 C ATOM 209 C GLU A 16 10.468 14.924 -3.235 1.00 52.23 C ATOM 210 O GLU A 16 9.413 15.111 -3.844 1.00 65.53 O ATOM 211 CB GLU A 16 12.731 15.922 -3.611 1.00 63.10 C ATOM 212 CG GLU A 16 12.927 16.887 -4.768 1.00 72.23 C ATOM 213 CD GLU A 16 13.645 18.157 -4.354 1.00 71.52 C ATOM 214 OE1 GLU A 16 13.660 18.461 -3.143 1.00 23.51 O ATOM 215 OE2 GLU A 16 14.191 18.846 -5.241 1.00 0.05 O ATOM 0 H GLU A 16 12.563 16.059 -1.154 1.00 21.51 H new ATOM 0 HA GLU A 16 10.921 17.014 -3.229 1.00 11.15 H new ATOM 0 HB2 GLU A 16 13.539 16.061 -2.892 1.00 63.10 H new ATOM 0 HB3 GLU A 16 12.808 14.901 -3.984 1.00 63.10 H new ATOM 0 HG2 GLU A 16 13.496 16.393 -5.556 1.00 72.23 H new ATOM 0 HG3 GLU A 16 11.956 17.144 -5.190 1.00 72.23 H new ATOM 222 N LEU A 17 10.872 13.722 -2.841 1.00 32.14 N ATOM 223 CA LEU A 17 10.082 12.524 -3.106 1.00 2.23 C ATOM 224 C LEU A 17 8.697 12.634 -2.476 1.00 5.44 C ATOM 225 O LEU A 17 7.724 12.091 -2.996 1.00 31.43 O ATOM 226 CB LEU A 17 10.802 11.286 -2.569 1.00 61.34 C ATOM 227 CG LEU A 17 10.601 10.983 -1.084 1.00 75.22 C ATOM 228 CD1 LEU A 17 9.385 10.092 -0.881 1.00 61.43 C ATOM 229 CD2 LEU A 17 11.845 10.332 -0.499 1.00 62.30 C ATOM 0 H LEU A 17 11.742 13.550 -2.337 1.00 32.14 H new ATOM 0 HA LEU A 17 9.963 12.429 -4.185 1.00 2.23 H new ATOM 0 HB2 LEU A 17 10.472 10.421 -3.144 1.00 61.34 H new ATOM 0 HB3 LEU A 17 11.870 11.403 -2.754 1.00 61.34 H new ATOM 0 HG LEU A 17 10.428 11.924 -0.561 1.00 75.22 H new ATOM 0 HD11 LEU A 17 9.258 9.887 0.182 1.00 61.43 H new ATOM 0 HD12 LEU A 17 8.497 10.596 -1.262 1.00 61.43 H new ATOM 0 HD13 LEU A 17 9.528 9.154 -1.417 1.00 61.43 H new ATOM 0 HD21 LEU A 17 11.683 10.124 0.559 1.00 62.30 H new ATOM 0 HD22 LEU A 17 12.050 9.400 -1.025 1.00 62.30 H new ATOM 0 HD23 LEU A 17 12.695 11.006 -0.610 1.00 62.30 H new ATOM 241 N GLU A 18 8.618 13.343 -1.354 1.00 0.42 N ATOM 242 CA GLU A 18 7.352 13.526 -0.654 1.00 73.42 C ATOM 243 C GLU A 18 6.381 14.353 -1.492 1.00 61.45 C ATOM 244 O GLU A 18 5.248 13.939 -1.738 1.00 60.42 O ATOM 245 CB GLU A 18 7.583 14.206 0.697 1.00 62.42 C ATOM 246 CG GLU A 18 6.299 14.562 1.427 1.00 41.13 C ATOM 247 CD GLU A 18 6.554 15.189 2.784 1.00 62.41 C ATOM 248 OE1 GLU A 18 6.704 16.427 2.848 1.00 70.51 O ATOM 249 OE2 GLU A 18 6.604 14.440 3.782 1.00 33.23 O ATOM 0 H GLU A 18 9.415 13.800 -0.911 1.00 0.42 H new ATOM 0 HA GLU A 18 6.914 12.542 -0.487 1.00 73.42 H new ATOM 0 HB2 GLU A 18 8.179 13.547 1.328 1.00 62.42 H new ATOM 0 HB3 GLU A 18 8.167 15.114 0.542 1.00 62.42 H new ATOM 0 HG2 GLU A 18 5.717 15.252 0.816 1.00 41.13 H new ATOM 0 HG3 GLU A 18 5.696 13.663 1.554 1.00 41.13 H new ATOM 256 N ARG A 19 6.834 15.524 -1.928 1.00 31.22 N ATOM 257 CA ARG A 19 6.006 16.410 -2.737 1.00 0.33 C ATOM 258 C ARG A 19 5.551 15.713 -4.015 1.00 73.41 C ATOM 259 O ARG A 19 4.379 15.779 -4.387 1.00 24.14 O ATOM 260 CB ARG A 19 6.776 17.685 -3.085 1.00 42.23 C ATOM 261 CG ARG A 19 5.895 18.919 -3.191 1.00 43.30 C ATOM 262 CD ARG A 19 6.292 19.976 -2.171 1.00 74.44 C ATOM 263 NE ARG A 19 7.630 20.504 -2.423 1.00 32.15 N ATOM 264 CZ ARG A 19 8.111 21.595 -1.837 1.00 51.03 C ATOM 265 NH1 ARG A 19 7.367 22.270 -0.972 1.00 22.35 N ATOM 266 NH2 ARG A 19 9.339 22.013 -2.118 1.00 13.15 N ATOM 0 H ARG A 19 7.770 15.881 -1.735 1.00 31.22 H new ATOM 0 HA ARG A 19 5.123 16.674 -2.154 1.00 0.33 H new ATOM 0 HB2 ARG A 19 7.538 17.858 -2.325 1.00 42.23 H new ATOM 0 HB3 ARG A 19 7.296 17.538 -4.031 1.00 42.23 H new ATOM 0 HG2 ARG A 19 5.969 19.335 -4.196 1.00 43.30 H new ATOM 0 HG3 ARG A 19 4.853 18.638 -3.039 1.00 43.30 H new ATOM 0 HD2 ARG A 19 5.570 20.792 -2.195 1.00 74.44 H new ATOM 0 HD3 ARG A 19 6.254 19.546 -1.170 1.00 74.44 H new ATOM 0 HE ARG A 19 8.228 20.008 -3.085 1.00 32.15 H new ATOM 0 HH11 ARG A 19 6.422 21.952 -0.755 1.00 22.35 H new ATOM 0 HH12 ARG A 19 7.739 23.107 -0.524 1.00 22.35 H new ATOM 0 HH21 ARG A 19 9.914 21.497 -2.784 1.00 13.15 H new ATOM 0 HH22 ARG A 19 9.708 22.851 -1.668 1.00 13.15 H new ATOM 280 N ALA A 20 6.485 15.045 -4.684 1.00 22.24 N ATOM 281 CA ALA A 20 6.180 14.334 -5.919 1.00 32.00 C ATOM 282 C ALA A 20 5.147 13.238 -5.681 1.00 21.54 C ATOM 283 O ALA A 20 4.029 13.302 -6.193 1.00 24.41 O ATOM 284 CB ALA A 20 7.449 13.745 -6.517 1.00 1.23 C ATOM 0 H ALA A 20 7.460 14.982 -4.391 1.00 22.24 H new ATOM 0 HA ALA A 20 5.757 15.049 -6.625 1.00 32.00 H new ATOM 0 HB1 ALA A 20 7.206 13.217 -7.439 1.00 1.23 H new ATOM 0 HB2 ALA A 20 8.155 14.547 -6.734 1.00 1.23 H new ATOM 0 HB3 ALA A 20 7.897 13.049 -5.808 1.00 1.23 H new ATOM 290 N PHE A 21 5.528 12.231 -4.901 1.00 5.54 N ATOM 291 CA PHE A 21 4.636 11.120 -4.596 1.00 34.52 C ATOM 292 C PHE A 21 3.278 11.627 -4.119 1.00 51.11 C ATOM 293 O PHE A 21 2.235 11.195 -4.610 1.00 14.54 O ATOM 294 CB PHE A 21 5.258 10.216 -3.530 1.00 31.45 C ATOM 295 CG PHE A 21 6.196 9.185 -4.090 1.00 74.13 C ATOM 296 CD1 PHE A 21 7.390 9.565 -4.682 1.00 34.51 C ATOM 297 CD2 PHE A 21 5.883 7.837 -4.025 1.00 64.42 C ATOM 298 CE1 PHE A 21 8.254 8.618 -5.199 1.00 52.14 C ATOM 299 CE2 PHE A 21 6.744 6.886 -4.541 1.00 31.44 C ATOM 300 CZ PHE A 21 7.931 7.277 -5.127 1.00 42.05 C ATOM 0 H PHE A 21 6.449 12.162 -4.469 1.00 5.54 H new ATOM 0 HA PHE A 21 4.489 10.544 -5.510 1.00 34.52 H new ATOM 0 HB2 PHE A 21 5.797 10.833 -2.811 1.00 31.45 H new ATOM 0 HB3 PHE A 21 4.461 9.712 -2.983 1.00 31.45 H new ATOM 0 HD1 PHE A 21 7.648 10.612 -4.740 1.00 34.51 H new ATOM 0 HD2 PHE A 21 4.956 7.525 -3.566 1.00 64.42 H new ATOM 0 HE1 PHE A 21 9.181 8.926 -5.659 1.00 52.14 H new ATOM 0 HE2 PHE A 21 6.488 5.838 -4.486 1.00 31.44 H new ATOM 0 HZ PHE A 21 8.606 6.536 -5.529 1.00 42.05 H new ATOM 310 N SER A 22 3.300 12.546 -3.159 1.00 42.21 N ATOM 311 CA SER A 22 2.072 13.110 -2.612 1.00 52.10 C ATOM 312 C SER A 22 1.253 13.792 -3.704 1.00 64.34 C ATOM 313 O SER A 22 0.029 13.665 -3.749 1.00 45.02 O ATOM 314 CB SER A 22 2.396 14.112 -1.502 1.00 34.53 C ATOM 315 OG SER A 22 2.951 15.302 -2.034 1.00 72.42 O ATOM 0 H SER A 22 4.155 12.916 -2.744 1.00 42.21 H new ATOM 0 HA SER A 22 1.482 12.294 -2.195 1.00 52.10 H new ATOM 0 HB2 SER A 22 1.489 14.348 -0.945 1.00 34.53 H new ATOM 0 HB3 SER A 22 3.096 13.664 -0.797 1.00 34.53 H new ATOM 0 HG SER A 22 3.896 15.155 -2.249 1.00 72.42 H new ATOM 321 N TYR A 23 1.938 14.515 -4.583 1.00 62.24 N ATOM 322 CA TYR A 23 1.276 15.219 -5.675 1.00 11.21 C ATOM 323 C TYR A 23 0.491 14.249 -6.553 1.00 23.03 C ATOM 324 O TYR A 23 -0.635 14.535 -6.961 1.00 23.42 O ATOM 325 CB TYR A 23 2.303 15.973 -6.521 1.00 3.22 C ATOM 326 CG TYR A 23 2.417 17.440 -6.171 1.00 33.31 C ATOM 327 CD1 TYR A 23 2.414 17.860 -4.846 1.00 52.14 C ATOM 328 CD2 TYR A 23 2.526 18.405 -7.164 1.00 54.01 C ATOM 329 CE1 TYR A 23 2.516 19.199 -4.522 1.00 4.03 C ATOM 330 CE2 TYR A 23 2.630 19.746 -6.849 1.00 22.23 C ATOM 331 CZ TYR A 23 2.625 20.138 -5.526 1.00 71.13 C ATOM 332 OH TYR A 23 2.727 21.473 -5.208 1.00 64.31 O ATOM 0 H TYR A 23 2.951 14.629 -4.561 1.00 62.24 H new ATOM 0 HA TYR A 23 0.577 15.934 -5.241 1.00 11.21 H new ATOM 0 HB2 TYR A 23 3.278 15.502 -6.398 1.00 3.22 H new ATOM 0 HB3 TYR A 23 2.034 15.879 -7.573 1.00 3.22 H new ATOM 0 HD1 TYR A 23 2.331 17.127 -4.057 1.00 52.14 H new ATOM 0 HD2 TYR A 23 2.530 18.102 -8.201 1.00 54.01 H new ATOM 0 HE1 TYR A 23 2.510 19.509 -3.487 1.00 4.03 H new ATOM 0 HE2 TYR A 23 2.715 20.483 -7.634 1.00 22.23 H new ATOM 0 HH TYR A 23 2.797 22.001 -6.031 1.00 64.31 H new ATOM 342 N TYR A 24 1.094 13.101 -6.839 1.00 23.52 N ATOM 343 CA TYR A 24 0.454 12.087 -7.670 1.00 4.45 C ATOM 344 C TYR A 24 -0.636 11.356 -6.893 1.00 71.51 C ATOM 345 O TYR A 24 -1.629 10.908 -7.466 1.00 44.42 O ATOM 346 CB TYR A 24 1.492 11.086 -8.180 1.00 1.23 C ATOM 347 CG TYR A 24 2.227 11.553 -9.416 1.00 74.54 C ATOM 348 CD1 TYR A 24 3.193 12.548 -9.340 1.00 61.01 C ATOM 349 CD2 TYR A 24 1.954 10.999 -10.661 1.00 35.20 C ATOM 350 CE1 TYR A 24 3.866 12.978 -10.467 1.00 63.23 C ATOM 351 CE2 TYR A 24 2.623 11.421 -11.793 1.00 53.31 C ATOM 352 CZ TYR A 24 3.578 12.411 -11.691 1.00 51.23 C ATOM 353 OH TYR A 24 4.246 12.836 -12.817 1.00 73.10 O ATOM 0 H TYR A 24 2.025 12.849 -6.508 1.00 23.52 H new ATOM 0 HA TYR A 24 -0.006 12.588 -8.522 1.00 4.45 H new ATOM 0 HB2 TYR A 24 2.216 10.891 -7.389 1.00 1.23 H new ATOM 0 HB3 TYR A 24 0.996 10.140 -8.398 1.00 1.23 H new ATOM 0 HD1 TYR A 24 3.422 12.993 -8.383 1.00 61.01 H new ATOM 0 HD2 TYR A 24 1.206 10.225 -10.745 1.00 35.20 H new ATOM 0 HE1 TYR A 24 4.613 13.754 -10.390 1.00 63.23 H new ATOM 0 HE2 TYR A 24 2.400 10.978 -12.753 1.00 53.31 H new ATOM 0 HH TYR A 24 3.926 12.335 -13.596 1.00 73.10 H new ATOM 363 N GLY A 25 -0.443 11.238 -5.583 1.00 32.13 N ATOM 364 CA GLY A 25 -1.417 10.560 -4.747 1.00 55.54 C ATOM 365 C GLY A 25 -0.871 10.226 -3.374 1.00 2.13 C ATOM 366 O GLY A 25 0.339 10.121 -3.172 1.00 63.24 O ATOM 0 H GLY A 25 0.371 11.600 -5.085 1.00 32.13 H new ATOM 0 HA2 GLY A 25 -2.300 11.190 -4.640 1.00 55.54 H new ATOM 0 HA3 GLY A 25 -1.738 9.642 -5.240 1.00 55.54 H new ATOM 370 N PRO A 26 -1.775 10.055 -2.398 1.00 73.42 N ATOM 371 CA PRO A 26 -1.400 9.729 -1.019 1.00 70.00 C ATOM 372 C PRO A 26 -0.846 8.315 -0.888 1.00 24.43 C ATOM 373 O PRO A 26 -1.577 7.334 -1.032 1.00 11.14 O ATOM 374 CB PRO A 26 -2.718 9.860 -0.252 1.00 74.14 C ATOM 375 CG PRO A 26 -3.776 9.621 -1.274 1.00 30.51 C ATOM 376 CD PRO A 26 -3.234 10.165 -2.567 1.00 20.04 C ATOM 0 HA PRO A 26 -0.609 10.380 -0.647 1.00 70.00 H new ATOM 0 HB2 PRO A 26 -2.779 9.133 0.558 1.00 74.14 H new ATOM 0 HB3 PRO A 26 -2.818 10.848 0.198 1.00 74.14 H new ATOM 0 HG2 PRO A 26 -4.001 8.558 -1.362 1.00 30.51 H new ATOM 0 HG3 PRO A 26 -4.704 10.121 -0.999 1.00 30.51 H new ATOM 0 HD2 PRO A 26 -3.584 9.589 -3.424 1.00 20.04 H new ATOM 0 HD3 PRO A 26 -3.543 11.198 -2.730 1.00 20.04 H new ATOM 384 N LEU A 27 0.450 8.215 -0.613 1.00 44.44 N ATOM 385 CA LEU A 27 1.103 6.920 -0.462 1.00 24.31 C ATOM 386 C LEU A 27 0.986 6.415 0.973 1.00 40.22 C ATOM 387 O LEU A 27 0.351 7.051 1.815 1.00 62.33 O ATOM 388 CB LEU A 27 2.577 7.019 -0.861 1.00 12.34 C ATOM 389 CG LEU A 27 3.307 8.289 -0.422 1.00 14.25 C ATOM 390 CD1 LEU A 27 3.154 8.501 1.077 1.00 43.54 C ATOM 391 CD2 LEU A 27 4.778 8.219 -0.805 1.00 75.32 C ATOM 0 H LEU A 27 1.069 9.016 -0.490 1.00 44.44 H new ATOM 0 HA LEU A 27 0.602 6.210 -1.120 1.00 24.31 H new ATOM 0 HB2 LEU A 27 3.104 6.159 -0.446 1.00 12.34 H new ATOM 0 HB3 LEU A 27 2.645 6.941 -1.946 1.00 12.34 H new ATOM 0 HG LEU A 27 2.859 9.139 -0.937 1.00 14.25 H new ATOM 0 HD11 LEU A 27 3.680 9.409 1.372 1.00 43.54 H new ATOM 0 HD12 LEU A 27 2.097 8.597 1.325 1.00 43.54 H new ATOM 0 HD13 LEU A 27 3.576 7.649 1.610 1.00 43.54 H new ATOM 0 HD21 LEU A 27 5.281 9.131 -0.485 1.00 75.32 H new ATOM 0 HD22 LEU A 27 5.240 7.360 -0.319 1.00 75.32 H new ATOM 0 HD23 LEU A 27 4.868 8.116 -1.886 1.00 75.32 H new ATOM 403 N ARG A 28 1.604 5.270 1.244 1.00 11.45 N ATOM 404 CA ARG A 28 1.569 4.681 2.578 1.00 45.24 C ATOM 405 C ARG A 28 2.591 5.348 3.493 1.00 5.54 C ATOM 406 O ARG A 28 2.258 5.800 4.590 1.00 65.41 O ATOM 407 CB ARG A 28 1.842 3.178 2.501 1.00 21.12 C ATOM 408 CG ARG A 28 0.865 2.340 3.309 1.00 75.21 C ATOM 409 CD ARG A 28 0.949 0.869 2.933 1.00 72.23 C ATOM 410 NE ARG A 28 1.550 0.066 3.994 1.00 34.14 N ATOM 411 CZ ARG A 28 1.434 -1.255 4.072 1.00 70.12 C ATOM 412 NH1 ARG A 28 0.744 -1.918 3.154 1.00 31.43 N ATOM 413 NH2 ARG A 28 2.010 -1.916 5.068 1.00 12.43 N ATOM 0 H ARG A 28 2.134 4.732 0.559 1.00 11.45 H new ATOM 0 HA ARG A 28 0.575 4.842 2.994 1.00 45.24 H new ATOM 0 HB2 ARG A 28 1.802 2.863 1.458 1.00 21.12 H new ATOM 0 HB3 ARG A 28 2.854 2.982 2.855 1.00 21.12 H new ATOM 0 HG2 ARG A 28 1.076 2.458 4.372 1.00 75.21 H new ATOM 0 HG3 ARG A 28 -0.150 2.702 3.143 1.00 75.21 H new ATOM 0 HD2 ARG A 28 -0.051 0.493 2.716 1.00 72.23 H new ATOM 0 HD3 ARG A 28 1.535 0.761 2.020 1.00 72.23 H new ATOM 0 HE ARG A 28 2.089 0.546 4.715 1.00 34.14 H new ATOM 0 HH11 ARG A 28 0.301 -1.414 2.386 1.00 31.43 H new ATOM 0 HH12 ARG A 28 0.656 -2.932 3.216 1.00 31.43 H new ATOM 0 HH21 ARG A 28 2.543 -1.410 5.775 1.00 12.43 H new ATOM 0 HH22 ARG A 28 1.920 -2.930 5.126 1.00 12.43 H new ATOM 427 N THR A 29 3.839 5.407 3.036 1.00 14.44 N ATOM 428 CA THR A 29 4.910 6.017 3.814 1.00 14.41 C ATOM 429 C THR A 29 6.169 6.193 2.973 1.00 32.41 C ATOM 430 O THR A 29 6.364 5.496 1.977 1.00 21.10 O ATOM 431 CB THR A 29 5.250 5.176 5.058 1.00 31.44 C ATOM 432 OG1 THR A 29 6.325 5.785 5.783 1.00 75.51 O ATOM 433 CG2 THR A 29 5.637 3.758 4.664 1.00 52.34 C ATOM 0 H THR A 29 4.132 5.039 2.131 1.00 14.44 H new ATOM 0 HA THR A 29 4.551 6.995 4.134 1.00 14.41 H new ATOM 0 HB THR A 29 4.364 5.131 5.692 1.00 31.44 H new ATOM 0 HG1 THR A 29 6.534 5.245 6.574 1.00 75.51 H new ATOM 0 HG21 THR A 29 5.873 3.183 5.560 1.00 52.34 H new ATOM 0 HG22 THR A 29 4.806 3.287 4.139 1.00 52.34 H new ATOM 0 HG23 THR A 29 6.509 3.787 4.011 1.00 52.34 H new ATOM 441 N VAL A 30 7.022 7.127 3.380 1.00 12.24 N ATOM 442 CA VAL A 30 8.264 7.393 2.665 1.00 61.41 C ATOM 443 C VAL A 30 9.477 7.056 3.525 1.00 34.25 C ATOM 444 O VAL A 30 9.409 7.097 4.754 1.00 43.41 O ATOM 445 CB VAL A 30 8.354 8.866 2.224 1.00 23.32 C ATOM 446 CG1 VAL A 30 7.144 9.248 1.386 1.00 72.50 C ATOM 447 CG2 VAL A 30 8.483 9.777 3.436 1.00 61.24 C ATOM 0 H VAL A 30 6.875 7.713 4.202 1.00 12.24 H new ATOM 0 HA VAL A 30 8.262 6.756 1.780 1.00 61.41 H new ATOM 0 HB VAL A 30 9.245 8.989 1.608 1.00 23.32 H new ATOM 0 HG11 VAL A 30 7.226 10.292 1.084 1.00 72.50 H new ATOM 0 HG12 VAL A 30 7.101 8.616 0.499 1.00 72.50 H new ATOM 0 HG13 VAL A 30 6.236 9.110 1.974 1.00 72.50 H new ATOM 0 HG21 VAL A 30 8.545 10.814 3.107 1.00 61.24 H new ATOM 0 HG22 VAL A 30 7.612 9.652 4.079 1.00 61.24 H new ATOM 0 HG23 VAL A 30 9.384 9.518 3.992 1.00 61.24 H new ATOM 457 N TRP A 31 10.584 6.723 2.873 1.00 61.05 N ATOM 458 CA TRP A 31 11.813 6.379 3.578 1.00 3.25 C ATOM 459 C TRP A 31 13.037 6.687 2.723 1.00 51.04 C ATOM 460 O TRP A 31 12.961 6.688 1.494 1.00 42.45 O ATOM 461 CB TRP A 31 11.806 4.900 3.967 1.00 61.35 C ATOM 462 CG TRP A 31 12.382 4.639 5.325 1.00 0.25 C ATOM 463 CD1 TRP A 31 11.870 5.047 6.524 1.00 25.13 C ATOM 464 CD2 TRP A 31 13.580 3.914 5.624 1.00 41.41 C ATOM 465 NE1 TRP A 31 12.678 4.619 7.550 1.00 5.11 N ATOM 466 CE2 TRP A 31 13.733 3.921 7.024 1.00 5.52 C ATOM 467 CE3 TRP A 31 14.537 3.258 4.845 1.00 41.50 C ATOM 468 CZ2 TRP A 31 14.805 3.299 7.658 1.00 3.14 C ATOM 469 CZ3 TRP A 31 15.600 2.642 5.476 1.00 25.50 C ATOM 470 CH2 TRP A 31 15.727 2.665 6.871 1.00 24.53 C ATOM 0 H TRP A 31 10.656 6.684 1.856 1.00 61.05 H new ATOM 0 HA TRP A 31 11.864 6.985 4.483 1.00 3.25 H new ATOM 0 HB2 TRP A 31 10.781 4.529 3.938 1.00 61.35 H new ATOM 0 HB3 TRP A 31 12.371 4.334 3.226 1.00 61.35 H new ATOM 0 HD1 TRP A 31 10.964 5.621 6.647 1.00 25.13 H new ATOM 0 HE1 TRP A 31 12.518 4.793 8.542 1.00 5.11 H new ATOM 0 HE3 TRP A 31 14.447 3.233 3.769 1.00 41.50 H new ATOM 0 HZ2 TRP A 31 14.905 3.316 8.733 1.00 3.14 H new ATOM 0 HZ3 TRP A 31 16.346 2.134 4.884 1.00 25.50 H new ATOM 0 HH2 TRP A 31 16.569 2.173 7.334 1.00 24.53 H new ATOM 481 N ILE A 32 14.163 6.947 3.379 1.00 55.00 N ATOM 482 CA ILE A 32 15.402 7.255 2.677 1.00 61.23 C ATOM 483 C ILE A 32 16.595 6.581 3.346 1.00 61.21 C ATOM 484 O ILE A 32 16.656 6.477 4.571 1.00 74.14 O ATOM 485 CB ILE A 32 15.652 8.773 2.616 1.00 44.24 C ATOM 486 CG1 ILE A 32 14.492 9.475 1.908 1.00 14.52 C ATOM 487 CG2 ILE A 32 16.966 9.065 1.907 1.00 45.34 C ATOM 488 CD1 ILE A 32 14.934 10.568 0.960 1.00 71.44 C ATOM 0 H ILE A 32 14.242 6.950 4.396 1.00 55.00 H new ATOM 0 HA ILE A 32 15.293 6.872 1.662 1.00 61.23 H new ATOM 0 HB ILE A 32 15.717 9.157 3.634 1.00 44.24 H new ATOM 0 HG12 ILE A 32 13.915 8.735 1.353 1.00 14.52 H new ATOM 0 HG13 ILE A 32 13.825 9.903 2.657 1.00 14.52 H new ATOM 0 HG21 ILE A 32 17.129 10.142 1.872 1.00 45.34 H new ATOM 0 HG22 ILE A 32 17.785 8.592 2.449 1.00 45.34 H new ATOM 0 HG23 ILE A 32 16.927 8.671 0.892 1.00 45.34 H new ATOM 0 HD11 ILE A 32 14.059 11.021 0.494 1.00 71.44 H new ATOM 0 HD12 ILE A 32 15.486 11.328 1.513 1.00 71.44 H new ATOM 0 HD13 ILE A 32 15.576 10.143 0.189 1.00 71.44 H new ATOM 500 N ALA A 33 17.543 6.126 2.533 1.00 22.34 N ATOM 501 CA ALA A 33 18.737 5.465 3.047 1.00 52.23 C ATOM 502 C ALA A 33 19.954 6.378 2.950 1.00 42.42 C ATOM 503 O ALA A 33 20.448 6.656 1.857 1.00 50.31 O ATOM 504 CB ALA A 33 18.987 4.167 2.293 1.00 0.22 C ATOM 0 H ALA A 33 17.508 6.203 1.517 1.00 22.34 H new ATOM 0 HA ALA A 33 18.571 5.235 4.099 1.00 52.23 H new ATOM 0 HB1 ALA A 33 19.881 3.684 2.687 1.00 0.22 H new ATOM 0 HB2 ALA A 33 18.131 3.503 2.417 1.00 0.22 H new ATOM 0 HB3 ALA A 33 19.128 4.383 1.234 1.00 0.22 H new ATOM 510 N ARG A 34 20.433 6.843 4.099 1.00 32.44 N ATOM 511 CA ARG A 34 21.592 7.726 4.143 1.00 15.43 C ATOM 512 C ARG A 34 22.879 6.949 3.884 1.00 34.34 C ATOM 513 O ARG A 34 23.874 7.510 3.429 1.00 53.42 O ATOM 514 CB ARG A 34 21.672 8.430 5.499 1.00 21.35 C ATOM 515 CG ARG A 34 20.676 9.567 5.656 1.00 41.23 C ATOM 516 CD ARG A 34 20.413 9.880 7.120 1.00 2.24 C ATOM 517 NE ARG A 34 19.030 9.605 7.499 1.00 30.43 N ATOM 518 CZ ARG A 34 18.563 9.751 8.734 1.00 22.03 C ATOM 519 NH1 ARG A 34 19.365 10.168 9.704 1.00 12.44 N ATOM 520 NH2 ARG A 34 17.292 9.480 9.001 1.00 51.12 N ATOM 0 H ARG A 34 20.036 6.623 5.012 1.00 32.44 H new ATOM 0 HA ARG A 34 21.477 8.474 3.359 1.00 15.43 H new ATOM 0 HB2 ARG A 34 21.502 7.698 6.289 1.00 21.35 H new ATOM 0 HB3 ARG A 34 22.680 8.820 5.637 1.00 21.35 H new ATOM 0 HG2 ARG A 34 21.057 10.457 5.155 1.00 41.23 H new ATOM 0 HG3 ARG A 34 19.739 9.302 5.166 1.00 41.23 H new ATOM 0 HD2 ARG A 34 21.084 9.289 7.743 1.00 2.24 H new ATOM 0 HD3 ARG A 34 20.640 10.929 7.313 1.00 2.24 H new ATOM 0 HE ARG A 34 18.387 9.283 6.776 1.00 30.43 H new ATOM 0 HH11 ARG A 34 20.343 10.377 9.503 1.00 12.44 H new ATOM 0 HH12 ARG A 34 19.004 10.279 10.652 1.00 12.44 H new ATOM 0 HH21 ARG A 34 16.672 9.159 8.257 1.00 51.12 H new ATOM 0 HH22 ARG A 34 16.935 9.593 9.950 1.00 51.12 H new ATOM 534 N ASN A 35 22.850 5.653 4.179 1.00 24.01 N ATOM 535 CA ASN A 35 24.015 4.798 3.979 1.00 0.23 C ATOM 536 C ASN A 35 24.599 4.992 2.583 1.00 10.02 C ATOM 537 O ASN A 35 25.751 5.393 2.415 1.00 20.42 O ATOM 538 CB ASN A 35 23.638 3.330 4.187 1.00 12.12 C ATOM 539 CG ASN A 35 24.113 2.795 5.524 1.00 23.30 C ATOM 540 OD1 ASN A 35 24.307 3.552 6.475 1.00 23.11 O ATOM 541 ND2 ASN A 35 24.304 1.483 5.602 1.00 73.32 N ATOM 0 H ASN A 35 22.034 5.172 4.557 1.00 24.01 H new ATOM 0 HA ASN A 35 24.771 5.079 4.712 1.00 0.23 H new ATOM 0 HB2 ASN A 35 22.555 3.223 4.120 1.00 12.12 H new ATOM 0 HB3 ASN A 35 24.068 2.730 3.385 1.00 12.12 H new ATOM 0 HD21 ASN A 35 24.624 1.065 6.476 1.00 73.32 H new ATOM 0 HD22 ASN A 35 24.131 0.893 4.788 1.00 73.32 H new ATOM 548 N PRO A 36 23.786 4.702 1.556 1.00 2.04 N ATOM 549 CA PRO A 36 24.200 4.838 0.157 1.00 72.24 C ATOM 550 C PRO A 36 24.367 6.295 -0.260 1.00 12.23 C ATOM 551 O PRO A 36 23.983 7.219 0.458 1.00 23.12 O ATOM 552 CB PRO A 36 23.050 4.189 -0.618 1.00 33.04 C ATOM 553 CG PRO A 36 21.868 4.319 0.280 1.00 31.12 C ATOM 554 CD PRO A 36 22.401 4.220 1.683 1.00 74.21 C ATOM 0 HA PRO A 36 25.170 4.377 -0.027 1.00 72.24 H new ATOM 0 HB2 PRO A 36 22.881 4.692 -1.570 1.00 33.04 H new ATOM 0 HB3 PRO A 36 23.264 3.144 -0.843 1.00 33.04 H new ATOM 0 HG2 PRO A 36 21.360 5.270 0.122 1.00 31.12 H new ATOM 0 HG3 PRO A 36 21.140 3.532 0.083 1.00 31.12 H new ATOM 0 HD2 PRO A 36 21.824 4.832 2.376 1.00 74.21 H new ATOM 0 HD3 PRO A 36 22.364 3.196 2.056 1.00 74.21 H new ATOM 562 N PRO A 37 24.952 6.509 -1.447 1.00 64.24 N ATOM 563 CA PRO A 37 25.183 7.852 -1.986 1.00 55.53 C ATOM 564 C PRO A 37 23.885 8.545 -2.391 1.00 65.41 C ATOM 565 O PRO A 37 23.832 9.769 -2.500 1.00 74.21 O ATOM 566 CB PRO A 37 26.058 7.597 -3.215 1.00 62.54 C ATOM 567 CG PRO A 37 25.736 6.201 -3.626 1.00 42.10 C ATOM 568 CD PRO A 37 25.435 5.455 -2.356 1.00 35.11 C ATOM 0 HA PRO A 37 25.641 8.513 -1.250 1.00 55.53 H new ATOM 0 HB2 PRO A 37 25.836 8.306 -4.013 1.00 62.54 H new ATOM 0 HB3 PRO A 37 27.116 7.706 -2.977 1.00 62.54 H new ATOM 0 HG2 PRO A 37 24.882 6.181 -4.303 1.00 42.10 H new ATOM 0 HG3 PRO A 37 26.573 5.747 -4.156 1.00 42.10 H new ATOM 0 HD2 PRO A 37 24.682 4.683 -2.512 1.00 35.11 H new ATOM 0 HD3 PRO A 37 26.322 4.959 -1.961 1.00 35.11 H new ATOM 576 N GLY A 38 22.841 7.752 -2.613 1.00 0.14 N ATOM 577 CA GLY A 38 21.558 8.307 -3.003 1.00 1.14 C ATOM 578 C GLY A 38 20.529 7.235 -3.301 1.00 21.11 C ATOM 579 O GLY A 38 20.133 7.047 -4.452 1.00 24.24 O ATOM 0 H GLY A 38 22.861 6.736 -2.530 1.00 0.14 H new ATOM 0 HA2 GLY A 38 21.187 8.951 -2.206 1.00 1.14 H new ATOM 0 HA3 GLY A 38 21.690 8.935 -3.884 1.00 1.14 H new ATOM 583 N PHE A 39 20.095 6.528 -2.263 1.00 0.35 N ATOM 584 CA PHE A 39 19.107 5.467 -2.419 1.00 64.12 C ATOM 585 C PHE A 39 18.007 5.588 -1.369 1.00 1.40 C ATOM 586 O PHE A 39 18.273 5.549 -0.168 1.00 45.12 O ATOM 587 CB PHE A 39 19.779 4.096 -2.314 1.00 5.31 C ATOM 588 CG PHE A 39 19.692 3.287 -3.576 1.00 53.12 C ATOM 589 CD1 PHE A 39 20.110 3.818 -4.786 1.00 31.03 C ATOM 590 CD2 PHE A 39 19.190 1.996 -3.553 1.00 64.52 C ATOM 591 CE1 PHE A 39 20.031 3.076 -5.949 1.00 71.21 C ATOM 592 CE2 PHE A 39 19.109 1.249 -4.713 1.00 64.52 C ATOM 593 CZ PHE A 39 19.529 1.790 -5.913 1.00 30.32 C ATOM 0 H PHE A 39 20.412 6.671 -1.304 1.00 0.35 H new ATOM 0 HA PHE A 39 18.655 5.569 -3.406 1.00 64.12 H new ATOM 0 HB2 PHE A 39 20.828 4.234 -2.052 1.00 5.31 H new ATOM 0 HB3 PHE A 39 19.318 3.536 -1.500 1.00 5.31 H new ATOM 0 HD1 PHE A 39 20.502 4.824 -4.820 1.00 31.03 H new ATOM 0 HD2 PHE A 39 18.858 1.569 -2.618 1.00 64.52 H new ATOM 0 HE1 PHE A 39 20.361 3.501 -6.885 1.00 71.21 H new ATOM 0 HE2 PHE A 39 18.718 0.243 -4.681 1.00 64.52 H new ATOM 0 HZ PHE A 39 19.465 1.208 -6.821 1.00 30.32 H new ATOM 603 N ALA A 40 16.770 5.737 -1.831 1.00 60.23 N ATOM 604 CA ALA A 40 15.629 5.863 -0.933 1.00 71.32 C ATOM 605 C ALA A 40 14.534 4.864 -1.293 1.00 50.44 C ATOM 606 O ALA A 40 14.495 4.346 -2.410 1.00 10.53 O ATOM 607 CB ALA A 40 15.084 7.283 -0.969 1.00 34.34 C ATOM 0 H ALA A 40 16.533 5.773 -2.822 1.00 60.23 H new ATOM 0 HA ALA A 40 15.968 5.641 0.079 1.00 71.32 H new ATOM 0 HB1 ALA A 40 14.232 7.363 -0.294 1.00 34.34 H new ATOM 0 HB2 ALA A 40 15.862 7.979 -0.656 1.00 34.34 H new ATOM 0 HB3 ALA A 40 14.767 7.525 -1.983 1.00 34.34 H new ATOM 613 N PHE A 41 13.646 4.598 -0.341 1.00 61.22 N ATOM 614 CA PHE A 41 12.551 3.660 -0.558 1.00 70.40 C ATOM 615 C PHE A 41 11.218 4.274 -0.141 1.00 51.02 C ATOM 616 O PHE A 41 11.153 5.064 0.801 1.00 50.14 O ATOM 617 CB PHE A 41 12.796 2.367 0.223 1.00 3.24 C ATOM 618 CG PHE A 41 13.385 1.265 -0.610 1.00 53.13 C ATOM 619 CD1 PHE A 41 14.674 1.368 -1.108 1.00 31.21 C ATOM 620 CD2 PHE A 41 12.649 0.126 -0.896 1.00 41.31 C ATOM 621 CE1 PHE A 41 15.217 0.355 -1.876 1.00 3.41 C ATOM 622 CE2 PHE A 41 13.187 -0.890 -1.663 1.00 44.44 C ATOM 623 CZ PHE A 41 14.474 -0.775 -2.153 1.00 33.10 C ATOM 0 H PHE A 41 13.663 5.019 0.588 1.00 61.22 H new ATOM 0 HA PHE A 41 12.508 3.431 -1.623 1.00 70.40 H new ATOM 0 HB2 PHE A 41 13.465 2.577 1.058 1.00 3.24 H new ATOM 0 HB3 PHE A 41 11.853 2.025 0.649 1.00 3.24 H new ATOM 0 HD1 PHE A 41 15.261 2.249 -0.894 1.00 31.21 H new ATOM 0 HD2 PHE A 41 11.643 0.031 -0.515 1.00 41.31 H new ATOM 0 HE1 PHE A 41 16.222 0.448 -2.259 1.00 3.41 H new ATOM 0 HE2 PHE A 41 12.603 -1.772 -1.879 1.00 44.44 H new ATOM 0 HZ PHE A 41 14.898 -1.568 -2.752 1.00 33.10 H new ATOM 633 N VAL A 42 10.156 3.905 -0.850 1.00 53.44 N ATOM 634 CA VAL A 42 8.823 4.419 -0.555 1.00 25.11 C ATOM 635 C VAL A 42 7.778 3.313 -0.636 1.00 33.53 C ATOM 636 O VAL A 42 7.894 2.394 -1.446 1.00 31.32 O ATOM 637 CB VAL A 42 8.432 5.552 -1.522 1.00 13.24 C ATOM 638 CG1 VAL A 42 6.992 5.982 -1.285 1.00 51.02 C ATOM 639 CG2 VAL A 42 9.380 6.732 -1.371 1.00 64.24 C ATOM 0 H VAL A 42 10.192 3.252 -1.633 1.00 53.44 H new ATOM 0 HA VAL A 42 8.853 4.813 0.461 1.00 25.11 H new ATOM 0 HB VAL A 42 8.512 5.179 -2.543 1.00 13.24 H new ATOM 0 HG11 VAL A 42 6.733 6.783 -1.977 1.00 51.02 H new ATOM 0 HG12 VAL A 42 6.327 5.133 -1.447 1.00 51.02 H new ATOM 0 HG13 VAL A 42 6.882 6.338 -0.261 1.00 51.02 H new ATOM 0 HG21 VAL A 42 9.089 7.523 -2.062 1.00 64.24 H new ATOM 0 HG22 VAL A 42 9.334 7.107 -0.349 1.00 64.24 H new ATOM 0 HG23 VAL A 42 10.398 6.412 -1.594 1.00 64.24 H new ATOM 649 N GLU A 43 6.756 3.408 0.210 1.00 42.43 N ATOM 650 CA GLU A 43 5.689 2.414 0.233 1.00 4.55 C ATOM 651 C GLU A 43 4.359 3.034 -0.186 1.00 63.20 C ATOM 652 O GLU A 43 3.897 4.004 0.414 1.00 11.32 O ATOM 653 CB GLU A 43 5.562 1.804 1.631 1.00 61.13 C ATOM 654 CG GLU A 43 5.055 0.371 1.625 1.00 5.41 C ATOM 655 CD GLU A 43 5.607 -0.447 2.776 1.00 25.11 C ATOM 656 OE1 GLU A 43 5.694 0.093 3.899 1.00 22.41 O ATOM 657 OE2 GLU A 43 5.953 -1.626 2.554 1.00 32.32 O ATOM 0 H GLU A 43 6.645 4.162 0.887 1.00 42.43 H new ATOM 0 HA GLU A 43 5.943 1.628 -0.478 1.00 4.55 H new ATOM 0 HB2 GLU A 43 6.535 1.834 2.121 1.00 61.13 H new ATOM 0 HB3 GLU A 43 4.886 2.418 2.226 1.00 61.13 H new ATOM 0 HG2 GLU A 43 3.966 0.374 1.676 1.00 5.41 H new ATOM 0 HG3 GLU A 43 5.329 -0.104 0.683 1.00 5.41 H new ATOM 664 N PHE A 44 3.749 2.466 -1.221 1.00 63.10 N ATOM 665 CA PHE A 44 2.473 2.962 -1.723 1.00 2.22 C ATOM 666 C PHE A 44 1.330 2.041 -1.308 1.00 21.32 C ATOM 667 O PHE A 44 1.334 0.851 -1.622 1.00 33.03 O ATOM 668 CB PHE A 44 2.514 3.088 -3.247 1.00 65.42 C ATOM 669 CG PHE A 44 2.317 4.493 -3.739 1.00 2.13 C ATOM 670 CD1 PHE A 44 1.165 5.196 -3.424 1.00 61.30 C ATOM 671 CD2 PHE A 44 3.284 5.112 -4.515 1.00 32.12 C ATOM 672 CE1 PHE A 44 0.981 6.489 -3.876 1.00 31.13 C ATOM 673 CE2 PHE A 44 3.105 6.405 -4.969 1.00 43.11 C ATOM 674 CZ PHE A 44 1.953 7.095 -4.648 1.00 74.31 C ATOM 0 H PHE A 44 4.118 1.662 -1.728 1.00 63.10 H new ATOM 0 HA PHE A 44 2.299 3.946 -1.289 1.00 2.22 H new ATOM 0 HB2 PHE A 44 3.473 2.716 -3.608 1.00 65.42 H new ATOM 0 HB3 PHE A 44 1.742 2.450 -3.677 1.00 65.42 H new ATOM 0 HD1 PHE A 44 0.403 4.728 -2.819 1.00 61.30 H new ATOM 0 HD2 PHE A 44 4.188 4.578 -4.768 1.00 32.12 H new ATOM 0 HE1 PHE A 44 0.078 7.025 -3.626 1.00 31.13 H new ATOM 0 HE2 PHE A 44 3.866 6.875 -5.574 1.00 43.11 H new ATOM 0 HZ PHE A 44 1.812 8.106 -5.000 1.00 74.31 H new ATOM 684 N GLU A 45 0.354 2.600 -0.600 1.00 10.42 N ATOM 685 CA GLU A 45 -0.795 1.829 -0.140 1.00 62.44 C ATOM 686 C GLU A 45 -1.419 1.045 -1.291 1.00 54.35 C ATOM 687 O GLU A 45 -1.913 -0.067 -1.104 1.00 13.33 O ATOM 688 CB GLU A 45 -1.840 2.753 0.488 1.00 23.23 C ATOM 689 CG GLU A 45 -2.772 2.046 1.458 1.00 53.41 C ATOM 690 CD GLU A 45 -3.018 2.849 2.721 1.00 41.23 C ATOM 691 OE1 GLU A 45 -2.991 4.095 2.647 1.00 41.41 O ATOM 692 OE2 GLU A 45 -3.238 2.230 3.783 1.00 4.30 O ATOM 0 H GLU A 45 0.336 3.584 -0.332 1.00 10.42 H new ATOM 0 HA GLU A 45 -0.448 1.122 0.613 1.00 62.44 H new ATOM 0 HB2 GLU A 45 -1.330 3.562 1.011 1.00 23.23 H new ATOM 0 HB3 GLU A 45 -2.432 3.210 -0.305 1.00 23.23 H new ATOM 0 HG2 GLU A 45 -3.724 1.851 0.965 1.00 53.41 H new ATOM 0 HG3 GLU A 45 -2.347 1.078 1.724 1.00 53.41 H new ATOM 699 N ASP A 46 -1.394 1.634 -2.482 1.00 70.11 N ATOM 700 CA ASP A 46 -1.957 0.992 -3.664 1.00 41.14 C ATOM 701 C ASP A 46 -0.922 0.909 -4.782 1.00 51.12 C ATOM 702 O ASP A 46 -0.037 1.755 -4.906 1.00 5.42 O ATOM 703 CB ASP A 46 -3.189 1.758 -4.149 1.00 1.01 C ATOM 704 CG ASP A 46 -4.442 0.905 -4.139 1.00 31.22 C ATOM 705 OD1 ASP A 46 -4.893 0.526 -3.038 1.00 33.34 O ATOM 706 OD2 ASP A 46 -4.972 0.617 -5.232 1.00 70.11 O ATOM 0 H ASP A 46 -0.990 2.555 -2.654 1.00 70.11 H new ATOM 0 HA ASP A 46 -2.253 -0.021 -3.391 1.00 41.14 H new ATOM 0 HB2 ASP A 46 -3.343 2.632 -3.516 1.00 1.01 H new ATOM 0 HB3 ASP A 46 -3.011 2.125 -5.160 1.00 1.01 H new ATOM 711 N PRO A 47 -1.034 -0.135 -5.616 1.00 60.42 N ATOM 712 CA PRO A 47 -0.116 -0.354 -6.738 1.00 73.42 C ATOM 713 C PRO A 47 -0.300 0.676 -7.847 1.00 53.11 C ATOM 714 O PRO A 47 0.669 1.261 -8.330 1.00 50.44 O ATOM 715 CB PRO A 47 -0.494 -1.751 -7.238 1.00 70.01 C ATOM 716 CG PRO A 47 -1.914 -1.930 -6.825 1.00 20.25 C ATOM 717 CD PRO A 47 -2.065 -1.183 -5.528 1.00 52.14 C ATOM 0 HA PRO A 47 0.927 -0.262 -6.435 1.00 73.42 H new ATOM 0 HB2 PRO A 47 -0.384 -1.828 -8.320 1.00 70.01 H new ATOM 0 HB3 PRO A 47 0.146 -2.516 -6.797 1.00 70.01 H new ATOM 0 HG2 PRO A 47 -2.593 -1.538 -7.582 1.00 20.25 H new ATOM 0 HG3 PRO A 47 -2.153 -2.986 -6.698 1.00 20.25 H new ATOM 0 HD2 PRO A 47 -3.063 -0.757 -5.423 1.00 52.14 H new ATOM 0 HD3 PRO A 47 -1.904 -1.834 -4.668 1.00 52.14 H new ATOM 725 N ARG A 48 -1.549 0.893 -8.245 1.00 54.34 N ATOM 726 CA ARG A 48 -1.860 1.853 -9.298 1.00 63.01 C ATOM 727 C ARG A 48 -1.203 3.201 -9.016 1.00 11.14 C ATOM 728 O ARG A 48 -0.586 3.799 -9.897 1.00 41.12 O ATOM 729 CB ARG A 48 -3.374 2.028 -9.428 1.00 1.43 C ATOM 730 CG ARG A 48 -3.778 3.174 -10.341 1.00 14.11 C ATOM 731 CD ARG A 48 -5.289 3.343 -10.387 1.00 60.45 C ATOM 732 NE ARG A 48 -5.883 3.325 -9.053 1.00 71.35 N ATOM 733 CZ ARG A 48 -5.909 4.379 -8.246 1.00 42.31 C ATOM 734 NH1 ARG A 48 -5.377 5.530 -8.636 1.00 21.43 N ATOM 735 NH2 ARG A 48 -6.468 4.285 -7.046 1.00 62.55 N ATOM 0 H ARG A 48 -2.362 0.417 -7.854 1.00 54.34 H new ATOM 0 HA ARG A 48 -1.465 1.465 -10.237 1.00 63.01 H new ATOM 0 HB2 ARG A 48 -3.807 1.102 -9.807 1.00 1.43 H new ATOM 0 HB3 ARG A 48 -3.798 2.196 -8.438 1.00 1.43 H new ATOM 0 HG2 ARG A 48 -3.318 4.098 -9.992 1.00 14.11 H new ATOM 0 HG3 ARG A 48 -3.400 2.990 -11.347 1.00 14.11 H new ATOM 0 HD2 ARG A 48 -5.534 4.284 -10.880 1.00 60.45 H new ATOM 0 HD3 ARG A 48 -5.725 2.545 -10.989 1.00 60.45 H new ATOM 0 HE ARG A 48 -6.301 2.455 -8.723 1.00 71.35 H new ATOM 0 HH11 ARG A 48 -4.947 5.607 -9.558 1.00 21.43 H new ATOM 0 HH12 ARG A 48 -5.398 6.338 -8.014 1.00 21.43 H new ATOM 0 HH21 ARG A 48 -6.879 3.402 -6.742 1.00 62.55 H new ATOM 0 HH22 ARG A 48 -6.487 5.096 -6.427 1.00 62.55 H new ATOM 749 N ASP A 49 -1.341 3.673 -7.782 1.00 11.43 N ATOM 750 CA ASP A 49 -0.761 4.950 -7.382 1.00 51.45 C ATOM 751 C ASP A 49 0.753 4.940 -7.566 1.00 3.44 C ATOM 752 O ASP A 49 1.351 5.953 -7.927 1.00 4.43 O ATOM 753 CB ASP A 49 -1.109 5.260 -5.926 1.00 31.34 C ATOM 754 CG ASP A 49 -2.584 5.070 -5.630 1.00 1.12 C ATOM 755 OD1 ASP A 49 -3.404 5.267 -6.551 1.00 12.12 O ATOM 756 OD2 ASP A 49 -2.918 4.724 -4.478 1.00 23.24 O ATOM 0 H ASP A 49 -1.850 3.190 -7.041 1.00 11.43 H new ATOM 0 HA ASP A 49 -1.181 5.727 -8.020 1.00 51.45 H new ATOM 0 HB2 ASP A 49 -0.524 4.615 -5.270 1.00 31.34 H new ATOM 0 HB3 ASP A 49 -0.825 6.288 -5.698 1.00 31.34 H new ATOM 761 N ALA A 50 1.367 3.789 -7.313 1.00 2.00 N ATOM 762 CA ALA A 50 2.811 3.647 -7.451 1.00 23.02 C ATOM 763 C ALA A 50 3.217 3.566 -8.918 1.00 63.15 C ATOM 764 O ALA A 50 4.225 4.143 -9.325 1.00 52.44 O ATOM 765 CB ALA A 50 3.295 2.416 -6.699 1.00 33.23 C ATOM 0 H ALA A 50 0.887 2.941 -7.011 1.00 2.00 H new ATOM 0 HA ALA A 50 3.281 4.531 -7.019 1.00 23.02 H new ATOM 0 HB1 ALA A 50 4.375 2.323 -6.811 1.00 33.23 H new ATOM 0 HB2 ALA A 50 3.047 2.514 -5.642 1.00 33.23 H new ATOM 0 HB3 ALA A 50 2.810 1.528 -7.104 1.00 33.23 H new ATOM 771 N GLU A 51 2.427 2.845 -9.708 1.00 12.14 N ATOM 772 CA GLU A 51 2.706 2.688 -11.130 1.00 44.21 C ATOM 773 C GLU A 51 2.719 4.042 -11.835 1.00 33.33 C ATOM 774 O GLU A 51 3.616 4.334 -12.625 1.00 64.10 O ATOM 775 CB GLU A 51 1.666 1.773 -11.779 1.00 23.50 C ATOM 776 CG GLU A 51 2.271 0.692 -12.660 1.00 4.32 C ATOM 777 CD GLU A 51 1.632 -0.665 -12.441 1.00 30.12 C ATOM 778 OE1 GLU A 51 0.634 -0.969 -13.127 1.00 21.11 O ATOM 779 OE2 GLU A 51 2.131 -1.423 -11.583 1.00 35.43 O ATOM 0 H GLU A 51 1.589 2.361 -9.387 1.00 12.14 H new ATOM 0 HA GLU A 51 3.692 2.235 -11.232 1.00 44.21 H new ATOM 0 HB2 GLU A 51 1.071 1.302 -10.997 1.00 23.50 H new ATOM 0 HB3 GLU A 51 0.985 2.378 -12.377 1.00 23.50 H new ATOM 0 HG2 GLU A 51 2.160 0.977 -13.706 1.00 4.32 H new ATOM 0 HG3 GLU A 51 3.340 0.622 -12.460 1.00 4.32 H new ATOM 786 N ASP A 52 1.716 4.863 -11.543 1.00 22.11 N ATOM 787 CA ASP A 52 1.611 6.186 -12.147 1.00 72.14 C ATOM 788 C ASP A 52 2.651 7.136 -11.561 1.00 35.32 C ATOM 789 O ASP A 52 3.364 7.820 -12.294 1.00 13.13 O ATOM 790 CB ASP A 52 0.207 6.755 -11.939 1.00 14.04 C ATOM 791 CG ASP A 52 -0.215 7.683 -13.061 1.00 4.10 C ATOM 792 OD1 ASP A 52 0.237 7.472 -14.206 1.00 0.23 O ATOM 793 OD2 ASP A 52 -0.995 8.621 -12.794 1.00 73.13 O ATOM 0 H ASP A 52 0.964 4.636 -10.892 1.00 22.11 H new ATOM 0 HA ASP A 52 1.799 6.086 -13.216 1.00 72.14 H new ATOM 0 HB2 ASP A 52 -0.506 5.935 -11.863 1.00 14.04 H new ATOM 0 HB3 ASP A 52 0.174 7.295 -10.993 1.00 14.04 H new ATOM 798 N ALA A 53 2.730 7.172 -10.235 1.00 13.33 N ATOM 799 CA ALA A 53 3.682 8.037 -9.550 1.00 3.21 C ATOM 800 C ALA A 53 5.110 7.744 -9.998 1.00 2.32 C ATOM 801 O ALA A 53 5.937 8.651 -10.104 1.00 33.43 O ATOM 802 CB ALA A 53 3.556 7.873 -8.043 1.00 33.34 C ATOM 0 H ALA A 53 2.146 6.612 -9.614 1.00 13.33 H new ATOM 0 HA ALA A 53 3.451 9.069 -9.812 1.00 3.21 H new ATOM 0 HB1 ALA A 53 4.273 8.525 -7.545 1.00 33.34 H new ATOM 0 HB2 ALA A 53 2.546 8.139 -7.731 1.00 33.34 H new ATOM 0 HB3 ALA A 53 3.758 6.837 -7.772 1.00 33.34 H new ATOM 808 N VAL A 54 5.394 6.472 -10.259 1.00 44.32 N ATOM 809 CA VAL A 54 6.723 6.060 -10.696 1.00 71.02 C ATOM 810 C VAL A 54 6.961 6.430 -12.156 1.00 35.50 C ATOM 811 O VAL A 54 7.909 7.145 -12.479 1.00 61.54 O ATOM 812 CB VAL A 54 6.925 4.543 -10.523 1.00 21.14 C ATOM 813 CG1 VAL A 54 8.015 4.039 -11.456 1.00 43.10 C ATOM 814 CG2 VAL A 54 7.256 4.212 -9.075 1.00 42.22 C ATOM 0 H VAL A 54 4.722 5.709 -10.176 1.00 44.32 H new ATOM 0 HA VAL A 54 7.441 6.589 -10.069 1.00 71.02 H new ATOM 0 HB VAL A 54 5.995 4.038 -10.784 1.00 21.14 H new ATOM 0 HG11 VAL A 54 8.143 2.965 -11.319 1.00 43.10 H new ATOM 0 HG12 VAL A 54 7.732 4.242 -12.489 1.00 43.10 H new ATOM 0 HG13 VAL A 54 8.952 4.548 -11.229 1.00 43.10 H new ATOM 0 HG21 VAL A 54 7.396 3.136 -8.970 1.00 42.22 H new ATOM 0 HG22 VAL A 54 8.172 4.727 -8.784 1.00 42.22 H new ATOM 0 HG23 VAL A 54 6.438 4.536 -8.432 1.00 42.22 H new ATOM 824 N ARG A 55 6.092 5.938 -13.034 1.00 24.00 N ATOM 825 CA ARG A 55 6.208 6.216 -14.460 1.00 61.05 C ATOM 826 C ARG A 55 6.357 7.714 -14.712 1.00 72.42 C ATOM 827 O ARG A 55 7.021 8.131 -15.659 1.00 44.24 O ATOM 828 CB ARG A 55 4.984 5.682 -15.207 1.00 23.42 C ATOM 829 CG ARG A 55 4.460 6.629 -16.273 1.00 73.14 C ATOM 830 CD ARG A 55 3.296 6.018 -17.038 1.00 31.41 C ATOM 831 NE ARG A 55 3.748 5.118 -18.096 1.00 2.21 N ATOM 832 CZ ARG A 55 2.955 4.247 -18.709 1.00 55.32 C ATOM 833 NH1 ARG A 55 1.675 4.159 -18.372 1.00 4.13 N ATOM 834 NH2 ARG A 55 3.440 3.463 -19.663 1.00 20.43 N ATOM 0 H ARG A 55 5.301 5.345 -12.782 1.00 24.00 H new ATOM 0 HA ARG A 55 7.100 5.712 -14.831 1.00 61.05 H new ATOM 0 HB2 ARG A 55 5.240 4.730 -15.673 1.00 23.42 H new ATOM 0 HB3 ARG A 55 4.189 5.482 -14.488 1.00 23.42 H new ATOM 0 HG2 ARG A 55 4.141 7.562 -15.808 1.00 73.14 H new ATOM 0 HG3 ARG A 55 5.263 6.877 -16.967 1.00 73.14 H new ATOM 0 HD2 ARG A 55 2.655 5.471 -16.346 1.00 31.41 H new ATOM 0 HD3 ARG A 55 2.691 6.813 -17.473 1.00 31.41 H new ATOM 0 HE ARG A 55 4.727 5.161 -18.380 1.00 2.21 H new ATOM 0 HH11 ARG A 55 1.298 4.761 -17.640 1.00 4.13 H new ATOM 0 HH12 ARG A 55 1.068 3.489 -18.845 1.00 4.13 H new ATOM 0 HH21 ARG A 55 4.423 3.529 -19.926 1.00 20.43 H new ATOM 0 HH22 ARG A 55 2.830 2.794 -20.133 1.00 20.43 H new ATOM 848 N GLY A 56 5.732 8.517 -13.857 1.00 0.32 N ATOM 849 CA GLY A 56 5.807 9.959 -14.004 1.00 14.20 C ATOM 850 C GLY A 56 7.101 10.531 -13.461 1.00 11.23 C ATOM 851 O GLY A 56 7.852 11.186 -14.185 1.00 73.34 O ATOM 0 H GLY A 56 5.175 8.195 -13.065 1.00 0.32 H new ATOM 0 HA2 GLY A 56 5.713 10.219 -15.058 1.00 14.20 H new ATOM 0 HA3 GLY A 56 4.965 10.418 -13.486 1.00 14.20 H new ATOM 855 N LEU A 57 7.363 10.286 -12.182 1.00 1.43 N ATOM 856 CA LEU A 57 8.576 10.783 -11.540 1.00 54.45 C ATOM 857 C LEU A 57 9.819 10.313 -12.288 1.00 40.13 C ATOM 858 O LEU A 57 10.792 11.055 -12.424 1.00 11.32 O ATOM 859 CB LEU A 57 8.635 10.316 -10.085 1.00 53.21 C ATOM 860 CG LEU A 57 8.039 11.270 -9.049 1.00 44.42 C ATOM 861 CD1 LEU A 57 6.628 11.676 -9.446 1.00 23.24 C ATOM 862 CD2 LEU A 57 8.044 10.630 -7.669 1.00 23.31 C ATOM 0 H LEU A 57 6.752 9.746 -11.569 1.00 1.43 H new ATOM 0 HA LEU A 57 8.550 11.872 -11.564 1.00 54.45 H new ATOM 0 HB2 LEU A 57 8.117 9.360 -10.010 1.00 53.21 H new ATOM 0 HB3 LEU A 57 9.678 10.134 -9.825 1.00 53.21 H new ATOM 0 HG LEU A 57 8.656 12.168 -9.013 1.00 44.42 H new ATOM 0 HD11 LEU A 57 6.220 12.355 -8.697 1.00 23.24 H new ATOM 0 HD12 LEU A 57 6.652 12.176 -10.414 1.00 23.24 H new ATOM 0 HD13 LEU A 57 5.999 10.788 -9.512 1.00 23.24 H new ATOM 0 HD21 LEU A 57 7.616 11.323 -6.945 1.00 23.31 H new ATOM 0 HD22 LEU A 57 7.451 9.716 -7.690 1.00 23.31 H new ATOM 0 HD23 LEU A 57 9.068 10.392 -7.382 1.00 23.31 H new ATOM 874 N ASP A 58 9.779 9.077 -12.773 1.00 40.15 N ATOM 875 CA ASP A 58 10.901 8.509 -13.511 1.00 63.50 C ATOM 876 C ASP A 58 10.833 8.892 -14.986 1.00 15.31 C ATOM 877 O ASP A 58 11.858 9.118 -15.627 1.00 54.43 O ATOM 878 CB ASP A 58 10.914 6.986 -13.368 1.00 24.25 C ATOM 879 CG ASP A 58 11.915 6.325 -14.296 1.00 55.40 C ATOM 880 OD1 ASP A 58 13.119 6.327 -13.967 1.00 61.44 O ATOM 881 OD2 ASP A 58 11.493 5.808 -15.352 1.00 12.22 O ATOM 0 H ASP A 58 8.982 8.449 -12.668 1.00 40.15 H new ATOM 0 HA ASP A 58 11.822 8.915 -13.091 1.00 63.50 H new ATOM 0 HB2 ASP A 58 11.150 6.723 -12.337 1.00 24.25 H new ATOM 0 HB3 ASP A 58 9.918 6.596 -13.576 1.00 24.25 H new ATOM 886 N GLY A 59 9.616 8.963 -15.518 1.00 30.40 N ATOM 887 CA GLY A 59 9.436 9.318 -16.914 1.00 21.15 C ATOM 888 C GLY A 59 10.041 10.666 -17.251 1.00 41.12 C ATOM 889 O GLY A 59 10.657 10.833 -18.304 1.00 71.12 O ATOM 0 H GLY A 59 8.752 8.781 -15.007 1.00 30.40 H new ATOM 0 HA2 GLY A 59 9.890 8.552 -17.542 1.00 21.15 H new ATOM 0 HA3 GLY A 59 8.372 9.332 -17.148 1.00 21.15 H new ATOM 893 N LYS A 60 9.865 11.633 -16.357 1.00 34.33 N ATOM 894 CA LYS A 60 10.397 12.974 -16.564 1.00 50.11 C ATOM 895 C LYS A 60 10.952 13.546 -15.264 1.00 11.34 C ATOM 896 O LYS A 60 11.165 12.818 -14.294 1.00 60.02 O ATOM 897 CB LYS A 60 9.309 13.897 -17.116 1.00 54.34 C ATOM 898 CG LYS A 60 9.591 14.397 -18.523 1.00 34.31 C ATOM 899 CD LYS A 60 10.827 15.279 -18.564 1.00 23.41 C ATOM 900 CE LYS A 60 10.503 16.712 -18.173 1.00 54.33 C ATOM 901 NZ LYS A 60 10.262 17.571 -19.366 1.00 13.11 N ATOM 0 H LYS A 60 9.357 11.512 -15.481 1.00 34.33 H new ATOM 0 HA LYS A 60 11.210 12.907 -17.287 1.00 50.11 H new ATOM 0 HB2 LYS A 60 8.357 13.366 -17.112 1.00 54.34 H new ATOM 0 HB3 LYS A 60 9.199 14.753 -16.451 1.00 54.34 H new ATOM 0 HG2 LYS A 60 9.727 13.547 -19.192 1.00 34.31 H new ATOM 0 HG3 LYS A 60 8.731 14.957 -18.890 1.00 34.31 H new ATOM 0 HD2 LYS A 60 11.583 14.879 -17.889 1.00 23.41 H new ATOM 0 HD3 LYS A 60 11.254 15.262 -19.567 1.00 23.41 H new ATOM 0 HE2 LYS A 60 9.621 16.723 -17.533 1.00 54.33 H new ATOM 0 HE3 LYS A 60 11.326 17.124 -17.589 1.00 54.33 H new ATOM 0 HZ1 LYS A 60 10.044 18.540 -19.058 1.00 13.11 H new ATOM 0 HZ2 LYS A 60 11.113 17.581 -19.964 1.00 13.11 H new ATOM 0 HZ3 LYS A 60 9.461 17.193 -19.910 1.00 13.11 H new ATOM 915 N VAL A 61 11.183 14.855 -15.249 1.00 54.41 N ATOM 916 CA VAL A 61 11.710 15.526 -14.067 1.00 20.34 C ATOM 917 C VAL A 61 10.596 16.201 -13.275 1.00 50.41 C ATOM 918 O VAL A 61 9.661 16.758 -13.852 1.00 31.25 O ATOM 919 CB VAL A 61 12.769 16.579 -14.444 1.00 15.12 C ATOM 920 CG1 VAL A 61 13.250 17.319 -13.205 1.00 45.35 C ATOM 921 CG2 VAL A 61 13.934 15.926 -15.172 1.00 33.02 C ATOM 0 H VAL A 61 11.013 15.472 -16.043 1.00 54.41 H new ATOM 0 HA VAL A 61 12.176 14.758 -13.449 1.00 20.34 H new ATOM 0 HB VAL A 61 12.312 17.305 -15.117 1.00 15.12 H new ATOM 0 HG11 VAL A 61 13.998 18.059 -13.490 1.00 45.35 H new ATOM 0 HG12 VAL A 61 12.407 17.820 -12.730 1.00 45.35 H new ATOM 0 HG13 VAL A 61 13.691 16.609 -12.505 1.00 45.35 H new ATOM 0 HG21 VAL A 61 14.673 16.685 -15.431 1.00 33.02 H new ATOM 0 HG22 VAL A 61 14.393 15.178 -14.526 1.00 33.02 H new ATOM 0 HG23 VAL A 61 13.572 15.447 -16.082 1.00 33.02 H new ATOM 931 N ILE A 62 10.703 16.149 -11.952 1.00 13.53 N ATOM 932 CA ILE A 62 9.705 16.758 -11.081 1.00 12.21 C ATOM 933 C ILE A 62 10.311 17.889 -10.257 1.00 11.13 C ATOM 934 O ILE A 62 11.105 17.651 -9.346 1.00 32.52 O ATOM 935 CB ILE A 62 9.081 15.721 -10.128 1.00 42.12 C ATOM 936 CG1 ILE A 62 8.175 16.413 -9.108 1.00 52.43 C ATOM 937 CG2 ILE A 62 10.171 14.927 -9.424 1.00 34.44 C ATOM 938 CD1 ILE A 62 7.086 17.253 -9.739 1.00 71.32 C ATOM 0 H ILE A 62 11.470 15.692 -11.460 1.00 13.53 H new ATOM 0 HA ILE A 62 8.925 17.160 -11.728 1.00 12.21 H new ATOM 0 HB ILE A 62 8.475 15.030 -10.713 1.00 42.12 H new ATOM 0 HG12 ILE A 62 7.716 15.658 -8.470 1.00 52.43 H new ATOM 0 HG13 ILE A 62 8.784 17.047 -8.464 1.00 52.43 H new ATOM 0 HG21 ILE A 62 9.715 14.198 -8.754 1.00 34.44 H new ATOM 0 HG22 ILE A 62 10.779 14.408 -10.165 1.00 34.44 H new ATOM 0 HG23 ILE A 62 10.801 15.605 -8.848 1.00 34.44 H new ATOM 0 HD11 ILE A 62 6.482 17.714 -8.957 1.00 71.32 H new ATOM 0 HD12 ILE A 62 7.537 18.031 -10.355 1.00 71.32 H new ATOM 0 HD13 ILE A 62 6.453 16.620 -10.361 1.00 71.32 H new ATOM 950 N CYS A 63 9.930 19.120 -10.581 1.00 62.43 N ATOM 951 CA CYS A 63 10.435 20.289 -9.870 1.00 64.32 C ATOM 952 C CYS A 63 11.960 20.295 -9.848 1.00 64.14 C ATOM 953 O CYS A 63 12.576 20.419 -8.790 1.00 51.25 O ATOM 954 CB CYS A 63 9.893 20.316 -8.441 1.00 33.34 C ATOM 955 SG CYS A 63 9.762 21.974 -7.732 1.00 55.10 S ATOM 0 H CYS A 63 9.273 19.334 -11.331 1.00 62.43 H new ATOM 0 HA CYS A 63 10.093 21.180 -10.397 1.00 64.32 H new ATOM 0 HB2 CYS A 63 8.908 19.848 -8.428 1.00 33.34 H new ATOM 0 HB3 CYS A 63 10.541 19.711 -7.807 1.00 33.34 H new ATOM 0 HG CYS A 63 9.292 21.893 -6.523 1.00 55.10 H new ATOM 961 N GLY A 64 12.565 20.158 -11.025 1.00 14.20 N ATOM 962 CA GLY A 64 14.013 20.149 -11.119 1.00 32.35 C ATOM 963 C GLY A 64 14.632 18.964 -10.404 1.00 2.22 C ATOM 964 O GLY A 64 15.776 19.031 -9.952 1.00 55.45 O ATOM 0 H GLY A 64 12.077 20.053 -11.915 1.00 14.20 H new ATOM 0 HA2 GLY A 64 14.306 20.130 -12.169 1.00 32.35 H new ATOM 0 HA3 GLY A 64 14.408 21.072 -10.695 1.00 32.35 H new ATOM 968 N SER A 65 13.876 17.876 -10.299 1.00 15.52 N ATOM 969 CA SER A 65 14.355 16.673 -9.629 1.00 1.53 C ATOM 970 C SER A 65 14.198 15.451 -10.528 1.00 43.34 C ATOM 971 O SER A 65 13.127 14.848 -10.593 1.00 41.14 O ATOM 972 CB SER A 65 13.596 16.457 -8.318 1.00 73.03 C ATOM 973 OG SER A 65 14.237 15.484 -7.512 1.00 1.21 O ATOM 0 H SER A 65 12.929 17.803 -10.670 1.00 15.52 H new ATOM 0 HA SER A 65 15.414 16.807 -9.409 1.00 1.53 H new ATOM 0 HB2 SER A 65 13.530 17.399 -7.773 1.00 73.03 H new ATOM 0 HB3 SER A 65 12.575 16.141 -8.533 1.00 73.03 H new ATOM 0 HG SER A 65 13.580 14.820 -7.216 1.00 1.21 H new ATOM 979 N ARG A 66 15.274 15.092 -11.221 1.00 4.32 N ATOM 980 CA ARG A 66 15.257 13.943 -12.118 1.00 42.30 C ATOM 981 C ARG A 66 15.605 12.662 -11.367 1.00 23.52 C ATOM 982 O ARG A 66 16.449 11.881 -11.807 1.00 45.10 O ATOM 983 CB ARG A 66 16.241 14.155 -13.271 1.00 33.44 C ATOM 984 CG ARG A 66 17.685 14.299 -12.820 1.00 22.30 C ATOM 985 CD ARG A 66 18.488 15.154 -13.787 1.00 52.54 C ATOM 986 NE ARG A 66 19.772 14.545 -14.122 1.00 21.24 N ATOM 987 CZ ARG A 66 20.627 15.064 -14.995 1.00 41.44 C ATOM 988 NH1 ARG A 66 20.336 16.197 -15.619 1.00 51.53 N ATOM 989 NH2 ARG A 66 21.776 14.451 -15.246 1.00 64.53 N ATOM 0 H ARG A 66 16.168 15.580 -11.178 1.00 4.32 H new ATOM 0 HA ARG A 66 14.250 13.844 -12.522 1.00 42.30 H new ATOM 0 HB2 ARG A 66 16.167 13.314 -13.960 1.00 33.44 H new ATOM 0 HB3 ARG A 66 15.951 15.048 -13.825 1.00 33.44 H new ATOM 0 HG2 ARG A 66 17.714 14.747 -11.827 1.00 22.30 H new ATOM 0 HG3 ARG A 66 18.142 13.313 -12.739 1.00 22.30 H new ATOM 0 HD2 ARG A 66 17.911 15.308 -14.699 1.00 52.54 H new ATOM 0 HD3 ARG A 66 18.657 16.137 -13.347 1.00 52.54 H new ATOM 0 HE ARG A 66 20.026 13.672 -13.660 1.00 21.24 H new ATOM 0 HH11 ARG A 66 19.454 16.672 -15.429 1.00 51.53 H new ATOM 0 HH12 ARG A 66 20.995 16.594 -16.289 1.00 51.53 H new ATOM 0 HH21 ARG A 66 22.004 13.579 -14.768 1.00 64.53 H new ATOM 0 HH22 ARG A 66 22.432 14.851 -15.917 1.00 64.53 H new ATOM 1003 N VAL A 67 14.949 12.451 -10.230 1.00 2.31 N ATOM 1004 CA VAL A 67 15.188 11.264 -9.417 1.00 44.55 C ATOM 1005 C VAL A 67 14.862 9.993 -10.192 1.00 75.04 C ATOM 1006 O VAL A 67 14.070 10.015 -11.135 1.00 60.41 O ATOM 1007 CB VAL A 67 14.354 11.293 -8.123 1.00 72.33 C ATOM 1008 CG1 VAL A 67 12.879 11.091 -8.435 1.00 34.05 C ATOM 1009 CG2 VAL A 67 14.850 10.237 -7.147 1.00 2.55 C ATOM 0 H VAL A 67 14.248 13.087 -9.851 1.00 2.31 H new ATOM 0 HA VAL A 67 16.247 11.266 -9.157 1.00 44.55 H new ATOM 0 HB VAL A 67 14.472 12.271 -7.656 1.00 72.33 H new ATOM 0 HG11 VAL A 67 12.305 11.114 -7.509 1.00 34.05 H new ATOM 0 HG12 VAL A 67 12.535 11.887 -9.096 1.00 34.05 H new ATOM 0 HG13 VAL A 67 12.739 10.127 -8.924 1.00 34.05 H new ATOM 0 HG21 VAL A 67 14.250 10.271 -6.238 1.00 2.55 H new ATOM 0 HG22 VAL A 67 14.763 9.251 -7.603 1.00 2.55 H new ATOM 0 HG23 VAL A 67 15.894 10.431 -6.900 1.00 2.55 H new ATOM 1019 N ARG A 68 15.476 8.886 -9.788 1.00 71.13 N ATOM 1020 CA ARG A 68 15.251 7.604 -10.445 1.00 52.03 C ATOM 1021 C ARG A 68 14.458 6.662 -9.543 1.00 44.41 C ATOM 1022 O ARG A 68 14.998 6.098 -8.591 1.00 74.43 O ATOM 1023 CB ARG A 68 16.585 6.960 -10.825 1.00 45.35 C ATOM 1024 CG ARG A 68 16.496 6.038 -12.030 1.00 75.11 C ATOM 1025 CD ARG A 68 16.538 4.575 -11.616 1.00 50.32 C ATOM 1026 NE ARG A 68 16.283 3.680 -12.742 1.00 1.33 N ATOM 1027 CZ ARG A 68 17.166 3.441 -13.705 1.00 21.32 C ATOM 1028 NH1 ARG A 68 18.355 4.026 -13.679 1.00 3.30 N ATOM 1029 NH2 ARG A 68 16.860 2.613 -14.696 1.00 43.52 N ATOM 0 H ARG A 68 16.133 8.851 -9.009 1.00 71.13 H new ATOM 0 HA ARG A 68 14.672 7.786 -11.351 1.00 52.03 H new ATOM 0 HB2 ARG A 68 17.312 7.745 -11.032 1.00 45.35 H new ATOM 0 HB3 ARG A 68 16.961 6.394 -9.973 1.00 45.35 H new ATOM 0 HG2 ARG A 68 15.573 6.237 -12.574 1.00 75.11 H new ATOM 0 HG3 ARG A 68 17.320 6.248 -12.712 1.00 75.11 H new ATOM 0 HD2 ARG A 68 17.514 4.348 -11.186 1.00 50.32 H new ATOM 0 HD3 ARG A 68 15.797 4.397 -10.837 1.00 50.32 H new ATOM 0 HE ARG A 68 15.377 3.213 -12.791 1.00 1.33 H new ATOM 0 HH11 ARG A 68 18.594 4.662 -12.918 1.00 3.30 H new ATOM 0 HH12 ARG A 68 19.031 3.840 -14.420 1.00 3.30 H new ATOM 0 HH21 ARG A 68 15.946 2.160 -14.718 1.00 43.52 H new ATOM 0 HH22 ARG A 68 17.538 2.430 -15.435 1.00 43.52 H new ATOM 1043 N VAL A 69 13.175 6.499 -9.849 1.00 22.33 N ATOM 1044 CA VAL A 69 12.308 5.626 -9.066 1.00 64.54 C ATOM 1045 C VAL A 69 11.923 4.381 -9.858 1.00 53.23 C ATOM 1046 O VAL A 69 11.728 4.442 -11.072 1.00 30.13 O ATOM 1047 CB VAL A 69 11.027 6.357 -8.624 1.00 71.31 C ATOM 1048 CG1 VAL A 69 10.334 6.992 -9.820 1.00 65.13 C ATOM 1049 CG2 VAL A 69 10.091 5.400 -7.902 1.00 15.04 C ATOM 0 H VAL A 69 12.713 6.960 -10.633 1.00 22.33 H new ATOM 0 HA VAL A 69 12.872 5.330 -8.181 1.00 64.54 H new ATOM 0 HB VAL A 69 11.304 7.152 -7.931 1.00 71.31 H new ATOM 0 HG11 VAL A 69 9.431 7.504 -9.488 1.00 65.13 H new ATOM 0 HG12 VAL A 69 11.006 7.710 -10.291 1.00 65.13 H new ATOM 0 HG13 VAL A 69 10.068 6.218 -10.540 1.00 65.13 H new ATOM 0 HG21 VAL A 69 9.191 5.933 -7.596 1.00 15.04 H new ATOM 0 HG22 VAL A 69 9.820 4.583 -8.570 1.00 15.04 H new ATOM 0 HG23 VAL A 69 10.591 4.997 -7.021 1.00 15.04 H new ATOM 1059 N GLU A 70 11.814 3.254 -9.162 1.00 71.45 N ATOM 1060 CA GLU A 70 11.452 1.994 -9.802 1.00 15.22 C ATOM 1061 C GLU A 70 10.514 1.183 -8.912 1.00 60.45 C ATOM 1062 O GLU A 70 10.360 1.473 -7.725 1.00 75.14 O ATOM 1063 CB GLU A 70 12.706 1.178 -10.118 1.00 63.41 C ATOM 1064 CG GLU A 70 12.725 0.613 -11.529 1.00 24.35 C ATOM 1065 CD GLU A 70 14.041 -0.059 -11.870 1.00 62.21 C ATOM 1066 OE1 GLU A 70 15.024 0.152 -11.129 1.00 63.02 O ATOM 1067 OE2 GLU A 70 14.088 -0.795 -12.877 1.00 62.35 O ATOM 0 H GLU A 70 11.971 3.187 -8.156 1.00 71.45 H new ATOM 0 HA GLU A 70 10.934 2.224 -10.733 1.00 15.22 H new ATOM 0 HB2 GLU A 70 13.584 1.808 -9.976 1.00 63.41 H new ATOM 0 HB3 GLU A 70 12.784 0.357 -9.406 1.00 63.41 H new ATOM 0 HG2 GLU A 70 11.914 -0.107 -11.639 1.00 24.35 H new ATOM 0 HG3 GLU A 70 12.536 1.417 -12.241 1.00 24.35 H new ATOM 1074 N LEU A 71 9.890 0.165 -9.495 1.00 32.33 N ATOM 1075 CA LEU A 71 8.966 -0.690 -8.756 1.00 44.14 C ATOM 1076 C LEU A 71 9.577 -2.066 -8.510 1.00 12.25 C ATOM 1077 O LEU A 71 9.800 -2.834 -9.445 1.00 44.32 O ATOM 1078 CB LEU A 71 7.650 -0.833 -9.522 1.00 61.33 C ATOM 1079 CG LEU A 71 6.638 0.297 -9.335 1.00 13.14 C ATOM 1080 CD1 LEU A 71 5.481 0.145 -10.310 1.00 34.23 C ATOM 1081 CD2 LEU A 71 6.129 0.325 -7.901 1.00 20.13 C ATOM 0 H LEU A 71 10.007 -0.089 -10.476 1.00 32.33 H new ATOM 0 HA LEU A 71 8.769 -0.223 -7.791 1.00 44.14 H new ATOM 0 HB2 LEU A 71 7.879 -0.917 -10.584 1.00 61.33 H new ATOM 0 HB3 LEU A 71 7.179 -1.769 -9.223 1.00 61.33 H new ATOM 0 HG LEU A 71 7.138 1.244 -9.541 1.00 13.14 H new ATOM 0 HD11 LEU A 71 4.771 0.959 -10.162 1.00 34.23 H new ATOM 0 HD12 LEU A 71 5.860 0.176 -11.332 1.00 34.23 H new ATOM 0 HD13 LEU A 71 4.982 -0.808 -10.137 1.00 34.23 H new ATOM 0 HD21 LEU A 71 5.410 1.136 -7.786 1.00 20.13 H new ATOM 0 HD22 LEU A 71 5.647 -0.624 -7.668 1.00 20.13 H new ATOM 0 HD23 LEU A 71 6.966 0.484 -7.221 1.00 20.13 H new ATOM 1093 N SER A 72 9.842 -2.371 -7.243 1.00 62.24 N ATOM 1094 CA SER A 72 10.428 -3.654 -6.873 1.00 61.23 C ATOM 1095 C SER A 72 9.420 -4.785 -7.055 1.00 52.40 C ATOM 1096 O SER A 72 9.784 -5.908 -7.406 1.00 53.41 O ATOM 1097 CB SER A 72 10.914 -3.617 -5.423 1.00 62.51 C ATOM 1098 OG SER A 72 11.755 -4.722 -5.139 1.00 33.42 O ATOM 0 H SER A 72 9.660 -1.748 -6.456 1.00 62.24 H new ATOM 0 HA SER A 72 11.278 -3.840 -7.529 1.00 61.23 H new ATOM 0 HB2 SER A 72 11.455 -2.688 -5.241 1.00 62.51 H new ATOM 0 HB3 SER A 72 10.058 -3.625 -4.749 1.00 62.51 H new ATOM 0 HG SER A 72 12.054 -4.675 -4.207 1.00 33.42 H new