USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 921 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 111 LYS NZ :NH3+ 170:sc= 0.0111 (180deg=0) USER MOD Set 1.2: A 112 HIS :FLIP no HE2:sc= -9.19! C(o=-10!,f=-9.2!) USER MOD Set 2.1: A 76 LYS NZ :NH3+ -140:sc= 0.0557 (180deg=0) USER MOD Set 2.2: A 77 TYR OH : rot 180:sc= 0.0528 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot -70:sc= -4.53! USER MOD Single : A 12 HIS : no HD1:sc= -0.485 X(o=-0.49,f=-0.06) USER MOD Single : A 13 ASN :FLIP amide:sc= -4.05! C(o=-11!,f=-4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN :FLIP amide:sc= -2.28 F(o=-3.9,f=-2.3) USER MOD Single : A 21 MET CE :methyl -141:sc= -5.91 (180deg=-13.4!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 30:sc= -0.0104 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 82 MET CE :methyl 151:sc= -16.5! (180deg=-20!) USER MOD Single : A 84 THR OG1 : rot 83:sc= 0.874 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -13! C(o=-13!,f=-14!) USER MOD Single : A 107 ASN : amide:sc= -0.161 K(o=-0.16,f=-3.4!) USER MOD Single : A 108 THR OG1 : rot 87:sc= -1.68! USER MOD Single : A 116 THR OG1 : rot -72:sc= 1.18 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.711 -1.220 -4.033 1.00 22.23 N ATOM 2 CA MET A 1 2.267 -0.348 -5.060 1.00 45.24 C ATOM 3 C MET A 1 1.771 1.084 -4.885 1.00 25.00 C ATOM 4 O MET A 1 1.038 1.604 -5.725 1.00 44.05 O ATOM 5 CB MET A 1 1.895 -0.862 -6.452 1.00 40.04 C ATOM 6 CG MET A 1 3.098 -1.162 -7.331 1.00 63.33 C ATOM 7 SD MET A 1 2.644 -1.475 -9.048 1.00 33.42 S ATOM 8 CE MET A 1 2.487 -3.260 -9.037 1.00 3.44 C ATOM 0 H1 MET A 1 2.063 -2.189 -4.173 1.00 22.23 H new ATOM 0 H2 MET A 1 2.000 -0.879 -3.094 1.00 22.23 H new ATOM 0 H3 MET A 1 0.673 -1.216 -4.099 1.00 22.23 H new ATOM 0 HA MET A 1 3.352 -0.353 -4.957 1.00 45.24 H new ATOM 0 HB2 MET A 1 1.297 -1.767 -6.348 1.00 40.04 H new ATOM 0 HB3 MET A 1 1.268 -0.121 -6.948 1.00 40.04 H new ATOM 0 HG2 MET A 1 3.791 -0.322 -7.290 1.00 63.33 H new ATOM 0 HG3 MET A 1 3.625 -2.030 -6.935 1.00 63.33 H new ATOM 0 HE1 MET A 1 2.209 -3.607 -10.032 1.00 3.44 H new ATOM 0 HE2 MET A 1 3.439 -3.707 -8.749 1.00 3.44 H new ATOM 0 HE3 MET A 1 1.718 -3.553 -8.323 1.00 3.44 H new ATOM 18 N ALA A 2 2.176 1.715 -3.788 1.00 10.33 N ATOM 19 CA ALA A 2 1.774 3.087 -3.504 1.00 13.24 C ATOM 20 C ALA A 2 2.956 3.915 -3.012 1.00 41.53 C ATOM 21 O ALA A 2 2.814 5.100 -2.711 1.00 52.11 O ATOM 22 CB ALA A 2 0.651 3.106 -2.477 1.00 52.20 C ATOM 0 H ALA A 2 2.782 1.298 -3.081 1.00 10.33 H new ATOM 0 HA ALA A 2 1.412 3.532 -4.431 1.00 13.24 H new ATOM 0 HB1 ALA A 2 0.361 4.137 -2.274 1.00 52.20 H new ATOM 0 HB2 ALA A 2 -0.207 2.557 -2.866 1.00 52.20 H new ATOM 0 HB3 ALA A 2 0.994 2.638 -1.554 1.00 52.20 H new ATOM 28 N ALA A 3 4.123 3.284 -2.933 1.00 72.13 N ATOM 29 CA ALA A 3 5.330 3.963 -2.480 1.00 0.33 C ATOM 30 C ALA A 3 5.485 5.320 -3.159 1.00 33.20 C ATOM 31 O ALA A 3 6.218 6.183 -2.680 1.00 4.54 O ATOM 32 CB ALA A 3 6.553 3.097 -2.742 1.00 2.13 C ATOM 0 H ALA A 3 4.258 2.303 -3.177 1.00 72.13 H new ATOM 0 HA ALA A 3 5.241 4.131 -1.407 1.00 0.33 H new ATOM 0 HB1 ALA A 3 7.447 3.617 -2.399 1.00 2.13 H new ATOM 0 HB2 ALA A 3 6.453 2.154 -2.205 1.00 2.13 H new ATOM 0 HB3 ALA A 3 6.636 2.899 -3.811 1.00 2.13 H new ATOM 38 N GLU A 4 4.789 5.499 -4.278 1.00 4.02 N ATOM 39 CA GLU A 4 4.852 6.751 -5.023 1.00 30.11 C ATOM 40 C GLU A 4 3.896 6.725 -6.212 1.00 34.32 C ATOM 41 O GLU A 4 4.280 6.361 -7.322 1.00 64.14 O ATOM 42 CB GLU A 4 6.280 7.010 -5.508 1.00 54.35 C ATOM 43 CG GLU A 4 6.516 8.439 -5.968 1.00 0.21 C ATOM 44 CD GLU A 4 7.710 8.564 -6.894 1.00 41.31 C ATOM 45 OE1 GLU A 4 8.694 7.822 -6.695 1.00 65.44 O ATOM 46 OE2 GLU A 4 7.661 9.404 -7.817 1.00 13.13 O ATOM 0 H GLU A 4 4.176 4.794 -4.688 1.00 4.02 H new ATOM 0 HA GLU A 4 4.551 7.558 -4.355 1.00 30.11 H new ATOM 0 HB2 GLU A 4 6.976 6.777 -4.703 1.00 54.35 H new ATOM 0 HB3 GLU A 4 6.504 6.331 -6.330 1.00 54.35 H new ATOM 0 HG2 GLU A 4 5.625 8.804 -6.479 1.00 0.21 H new ATOM 0 HG3 GLU A 4 6.668 9.077 -5.097 1.00 0.21 H new ATOM 53 N GLU A 5 2.648 7.113 -5.968 1.00 74.25 N ATOM 54 CA GLU A 5 1.636 7.132 -7.019 1.00 10.35 C ATOM 55 C GLU A 5 1.557 8.509 -7.672 1.00 60.13 C ATOM 56 O GLU A 5 2.534 9.257 -7.690 1.00 34.13 O ATOM 57 CB GLU A 5 0.269 6.747 -6.448 1.00 44.41 C ATOM 58 CG GLU A 5 0.319 5.565 -5.495 1.00 13.10 C ATOM 59 CD GLU A 5 0.056 4.244 -6.191 1.00 32.44 C ATOM 60 OE1 GLU A 5 0.985 3.718 -6.837 1.00 64.34 O ATOM 61 OE2 GLU A 5 -1.080 3.735 -6.087 1.00 54.45 O ATOM 0 H GLU A 5 2.314 7.418 -5.054 1.00 74.25 H new ATOM 0 HA GLU A 5 1.923 6.404 -7.778 1.00 10.35 H new ATOM 0 HB2 GLU A 5 -0.152 7.606 -5.926 1.00 44.41 H new ATOM 0 HB3 GLU A 5 -0.406 6.511 -7.271 1.00 44.41 H new ATOM 0 HG2 GLU A 5 1.297 5.531 -5.016 1.00 13.10 H new ATOM 0 HG3 GLU A 5 -0.418 5.708 -4.705 1.00 13.10 H new ATOM 68 N GLY A 6 0.386 8.836 -8.210 1.00 72.03 N ATOM 69 CA GLY A 6 0.200 10.121 -8.859 1.00 23.03 C ATOM 70 C GLY A 6 -0.145 11.222 -7.876 1.00 22.14 C ATOM 71 O GLY A 6 -0.732 12.237 -8.250 1.00 41.10 O ATOM 0 H GLY A 6 -0.437 8.234 -8.208 1.00 72.03 H new ATOM 0 HA2 GLY A 6 1.110 10.389 -9.395 1.00 23.03 H new ATOM 0 HA3 GLY A 6 -0.594 10.038 -9.601 1.00 23.03 H new ATOM 75 N VAL A 7 0.219 11.021 -6.613 1.00 0.21 N ATOM 76 CA VAL A 7 -0.056 12.005 -5.572 1.00 71.24 C ATOM 77 C VAL A 7 1.192 12.815 -5.238 1.00 34.51 C ATOM 78 O VAL A 7 2.250 12.620 -5.836 1.00 21.45 O ATOM 79 CB VAL A 7 -0.578 11.333 -4.289 1.00 30.34 C ATOM 80 CG1 VAL A 7 -1.460 10.141 -4.630 1.00 1.30 C ATOM 81 CG2 VAL A 7 0.582 10.911 -3.399 1.00 72.54 C ATOM 0 H VAL A 7 0.705 10.186 -6.286 1.00 0.21 H new ATOM 0 HA VAL A 7 -0.825 12.672 -5.962 1.00 71.24 H new ATOM 0 HB VAL A 7 -1.182 12.056 -3.741 1.00 30.34 H new ATOM 0 HG11 VAL A 7 -1.819 9.679 -3.710 1.00 1.30 H new ATOM 0 HG12 VAL A 7 -2.310 10.476 -5.224 1.00 1.30 H new ATOM 0 HG13 VAL A 7 -0.883 9.413 -5.200 1.00 1.30 H new ATOM 0 HG21 VAL A 7 0.195 10.438 -2.497 1.00 72.54 H new ATOM 0 HG22 VAL A 7 1.215 10.205 -3.936 1.00 72.54 H new ATOM 0 HG23 VAL A 7 1.169 11.788 -3.126 1.00 72.54 H new ATOM 91 N VAL A 8 1.060 13.724 -4.278 1.00 1.52 N ATOM 92 CA VAL A 8 2.177 14.564 -3.862 1.00 24.33 C ATOM 93 C VAL A 8 3.408 13.722 -3.543 1.00 11.11 C ATOM 94 O VAL A 8 3.558 13.221 -2.428 1.00 52.20 O ATOM 95 CB VAL A 8 1.814 15.410 -2.627 1.00 42.44 C ATOM 96 CG1 VAL A 8 0.623 16.307 -2.927 1.00 13.32 C ATOM 97 CG2 VAL A 8 1.530 14.514 -1.432 1.00 30.22 C ATOM 0 H VAL A 8 0.191 13.898 -3.773 1.00 1.52 H new ATOM 0 HA VAL A 8 2.401 15.229 -4.696 1.00 24.33 H new ATOM 0 HB VAL A 8 2.664 16.046 -2.380 1.00 42.44 H new ATOM 0 HG11 VAL A 8 0.380 16.897 -2.043 1.00 13.32 H new ATOM 0 HG12 VAL A 8 0.869 16.974 -3.753 1.00 13.32 H new ATOM 0 HG13 VAL A 8 -0.235 15.693 -3.200 1.00 13.32 H new ATOM 0 HG21 VAL A 8 1.275 15.129 -0.569 1.00 30.22 H new ATOM 0 HG22 VAL A 8 0.696 13.851 -1.664 1.00 30.22 H new ATOM 0 HG23 VAL A 8 2.414 13.919 -1.205 1.00 30.22 H new ATOM 107 N ILE A 9 4.286 13.571 -4.528 1.00 42.15 N ATOM 108 CA ILE A 9 5.505 12.791 -4.352 1.00 51.32 C ATOM 109 C ILE A 9 6.149 13.077 -3.000 1.00 24.31 C ATOM 110 O ILE A 9 5.796 14.042 -2.324 1.00 12.31 O ATOM 111 CB ILE A 9 6.527 13.084 -5.467 1.00 75.40 C ATOM 112 CG1 ILE A 9 5.885 12.885 -6.842 1.00 12.03 C ATOM 113 CG2 ILE A 9 7.749 12.191 -5.313 1.00 34.31 C ATOM 114 CD1 ILE A 9 5.267 11.517 -7.028 1.00 71.01 C ATOM 0 H ILE A 9 4.176 13.978 -5.457 1.00 42.15 H new ATOM 0 HA ILE A 9 5.218 11.741 -4.401 1.00 51.32 H new ATOM 0 HB ILE A 9 6.847 14.123 -5.383 1.00 75.40 H new ATOM 0 HG12 ILE A 9 5.117 13.645 -6.989 1.00 12.03 H new ATOM 0 HG13 ILE A 9 6.640 13.042 -7.613 1.00 12.03 H new ATOM 0 HG21 ILE A 9 8.462 12.410 -6.108 1.00 34.31 H new ATOM 0 HG22 ILE A 9 8.216 12.377 -4.346 1.00 34.31 H new ATOM 0 HG23 ILE A 9 7.446 11.146 -5.375 1.00 34.31 H new ATOM 0 HD11 ILE A 9 4.831 11.447 -8.025 1.00 71.01 H new ATOM 0 HD12 ILE A 9 6.035 10.752 -6.913 1.00 71.01 H new ATOM 0 HD13 ILE A 9 4.489 11.365 -6.280 1.00 71.01 H new ATOM 126 N ALA A 10 7.098 12.231 -2.613 1.00 24.24 N ATOM 127 CA ALA A 10 7.796 12.394 -1.343 1.00 15.21 C ATOM 128 C ALA A 10 9.299 12.202 -1.513 1.00 53.13 C ATOM 129 O ALA A 10 9.901 11.340 -0.871 1.00 54.52 O ATOM 130 CB ALA A 10 7.250 11.417 -0.312 1.00 1.21 C ATOM 0 H ALA A 10 7.401 11.426 -3.161 1.00 24.24 H new ATOM 0 HA ALA A 10 7.625 13.411 -0.991 1.00 15.21 H new ATOM 0 HB1 ALA A 10 7.780 11.550 0.631 1.00 1.21 H new ATOM 0 HB2 ALA A 10 6.187 11.604 -0.160 1.00 1.21 H new ATOM 0 HB3 ALA A 10 7.391 10.396 -0.667 1.00 1.21 H new ATOM 136 N CYS A 11 9.899 13.009 -2.382 1.00 34.44 N ATOM 137 CA CYS A 11 11.332 12.926 -2.637 1.00 63.04 C ATOM 138 C CYS A 11 12.112 12.809 -1.332 1.00 13.44 C ATOM 139 O CYS A 11 11.591 13.110 -0.257 1.00 22.43 O ATOM 140 CB CYS A 11 11.803 14.153 -3.419 1.00 5.21 C ATOM 141 SG CYS A 11 13.544 14.569 -3.161 1.00 41.10 S ATOM 0 H CYS A 11 9.415 13.727 -2.921 1.00 34.44 H new ATOM 0 HA CYS A 11 11.519 12.031 -3.231 1.00 63.04 H new ATOM 0 HB2 CYS A 11 11.636 13.979 -4.482 1.00 5.21 H new ATOM 0 HB3 CYS A 11 11.190 15.009 -3.135 1.00 5.21 H new ATOM 0 HG CYS A 11 13.708 15.022 -1.954 1.00 41.10 H new ATOM 147 N HIS A 12 13.362 12.370 -1.432 1.00 62.11 N ATOM 148 CA HIS A 12 14.214 12.212 -0.258 1.00 53.24 C ATOM 149 C HIS A 12 15.657 11.932 -0.668 1.00 14.03 C ATOM 150 O HIS A 12 16.367 11.183 0.001 1.00 1.13 O ATOM 151 CB HIS A 12 13.693 11.080 0.627 1.00 63.50 C ATOM 152 CG HIS A 12 13.413 9.814 -0.123 1.00 22.42 C ATOM 153 ND1 HIS A 12 12.361 8.976 0.181 1.00 53.20 N ATOM 154 CD2 HIS A 12 14.054 9.245 -1.170 1.00 65.33 C ATOM 155 CE1 HIS A 12 12.368 7.946 -0.646 1.00 53.00 C ATOM 156 NE2 HIS A 12 13.385 8.085 -1.476 1.00 45.24 N ATOM 0 H HIS A 12 13.808 12.117 -2.314 1.00 62.11 H new ATOM 0 HA HIS A 12 14.190 13.144 0.307 1.00 53.24 H new ATOM 0 HB2 HIS A 12 14.424 10.875 1.409 1.00 63.50 H new ATOM 0 HB3 HIS A 12 12.780 11.408 1.123 1.00 63.50 H new ATOM 0 HD2 HIS A 12 14.929 9.631 -1.672 1.00 65.33 H new ATOM 0 HE1 HIS A 12 11.662 7.129 -0.644 1.00 53.00 H new ATOM 0 HE2 HIS A 12 13.634 7.437 -2.223 1.00 45.24 H new ATOM 164 N ASN A 13 16.082 12.538 -1.771 1.00 51.23 N ATOM 165 CA ASN A 13 17.440 12.353 -2.270 1.00 74.44 C ATOM 166 C ASN A 13 17.664 13.154 -3.549 1.00 14.40 C ATOM 167 O ASN A 13 18.486 12.788 -4.389 1.00 75.12 O ATOM 168 CB ASN A 13 17.711 10.870 -2.531 1.00 22.41 C ATOM 169 CG ASN A 13 17.501 10.490 -3.984 1.00 64.01 C ATOM 170 OD1 ASN A 13 16.511 11.106 -4.619 1.00 23.13 O flip ATOM 171 ND2 ASN A 13 18.221 9.653 -4.529 1.00 42.03 N flip ATOM 0 H ASN A 13 15.506 13.161 -2.337 1.00 51.23 H new ATOM 0 HA ASN A 13 18.132 12.715 -1.510 1.00 74.44 H new ATOM 0 HB2 ASN A 13 18.735 10.634 -2.241 1.00 22.41 H new ATOM 0 HB3 ASN A 13 17.055 10.268 -1.902 1.00 22.41 H new ATOM 0 HD21 ASN A 13 18.970 9.204 -4.002 1.00 42.03 H new ATOM 0 HD22 ASN A 13 18.068 9.408 -5.507 1.00 42.03 H new ATOM 178 N LYS A 14 16.927 14.251 -3.690 1.00 10.35 N ATOM 179 CA LYS A 14 17.045 15.107 -4.864 1.00 0.51 C ATOM 180 C LYS A 14 16.601 14.369 -6.123 1.00 23.15 C ATOM 181 O LYS A 14 15.563 14.684 -6.705 1.00 24.30 O ATOM 182 CB LYS A 14 18.488 15.591 -5.025 1.00 61.42 C ATOM 183 CG LYS A 14 18.826 16.036 -6.437 1.00 61.15 C ATOM 184 CD LYS A 14 19.793 17.208 -6.436 1.00 63.12 C ATOM 185 CE LYS A 14 19.116 18.489 -5.975 1.00 52.10 C ATOM 186 NZ LYS A 14 19.196 19.561 -7.006 1.00 2.14 N ATOM 0 H LYS A 14 16.241 14.568 -3.005 1.00 10.35 H new ATOM 0 HA LYS A 14 16.393 15.969 -4.721 1.00 0.51 H new ATOM 0 HB2 LYS A 14 18.663 16.421 -4.340 1.00 61.42 H new ATOM 0 HB3 LYS A 14 19.166 14.789 -4.734 1.00 61.42 H new ATOM 0 HG2 LYS A 14 19.263 15.203 -6.987 1.00 61.15 H new ATOM 0 HG3 LYS A 14 17.912 16.318 -6.959 1.00 61.15 H new ATOM 0 HD2 LYS A 14 20.636 16.985 -5.782 1.00 63.12 H new ATOM 0 HD3 LYS A 14 20.196 17.349 -7.439 1.00 63.12 H new ATOM 0 HE2 LYS A 14 18.071 18.284 -5.744 1.00 52.10 H new ATOM 0 HE3 LYS A 14 19.584 18.836 -5.054 1.00 52.10 H new ATOM 0 HZ1 LYS A 14 18.723 20.418 -6.654 1.00 2.14 H new ATOM 0 HZ2 LYS A 14 20.194 19.774 -7.208 1.00 2.14 H new ATOM 0 HZ3 LYS A 14 18.727 19.240 -7.877 1.00 2.14 H new ATOM 200 N ASP A 15 17.393 13.385 -6.536 1.00 12.33 N ATOM 201 CA ASP A 15 17.080 12.600 -7.724 1.00 71.00 C ATOM 202 C ASP A 15 15.571 12.493 -7.923 1.00 22.22 C ATOM 203 O ASP A 15 15.079 12.548 -9.049 1.00 61.33 O ATOM 204 CB ASP A 15 17.693 11.203 -7.614 1.00 51.02 C ATOM 205 CG ASP A 15 18.409 10.784 -8.883 1.00 73.41 C ATOM 206 OD1 ASP A 15 17.756 10.744 -9.947 1.00 33.54 O ATOM 207 OD2 ASP A 15 19.622 10.494 -8.812 1.00 52.45 O ATOM 0 H ASP A 15 18.256 13.112 -6.066 1.00 12.33 H new ATOM 0 HA ASP A 15 17.507 13.109 -8.588 1.00 71.00 H new ATOM 0 HB2 ASP A 15 18.395 11.182 -6.780 1.00 51.02 H new ATOM 0 HB3 ASP A 15 16.908 10.482 -7.388 1.00 51.02 H new ATOM 212 N GLU A 16 14.844 12.339 -6.821 1.00 34.21 N ATOM 213 CA GLU A 16 13.391 12.222 -6.876 1.00 21.14 C ATOM 214 C GLU A 16 12.738 13.597 -6.976 1.00 0.40 C ATOM 215 O GLU A 16 11.794 13.794 -7.741 1.00 40.44 O ATOM 216 CB GLU A 16 12.870 11.487 -5.639 1.00 75.43 C ATOM 217 CG GLU A 16 13.840 10.454 -5.091 1.00 11.03 C ATOM 218 CD GLU A 16 13.158 9.152 -4.720 1.00 32.44 C ATOM 219 OE1 GLU A 16 12.081 9.204 -4.089 1.00 64.40 O ATOM 220 OE2 GLU A 16 13.701 8.080 -5.061 1.00 22.04 O ATOM 0 H GLU A 16 15.236 12.292 -5.881 1.00 34.21 H new ATOM 0 HA GLU A 16 13.131 11.650 -7.767 1.00 21.14 H new ATOM 0 HB2 GLU A 16 12.650 12.216 -4.859 1.00 75.43 H new ATOM 0 HB3 GLU A 16 11.930 10.994 -5.889 1.00 75.43 H new ATOM 0 HG2 GLU A 16 14.612 10.256 -5.834 1.00 11.03 H new ATOM 0 HG3 GLU A 16 14.340 10.861 -4.212 1.00 11.03 H new ATOM 227 N PHE A 17 13.247 14.546 -6.197 1.00 23.11 N ATOM 228 CA PHE A 17 12.713 15.903 -6.196 1.00 24.00 C ATOM 229 C PHE A 17 12.670 16.471 -7.612 1.00 14.15 C ATOM 230 O PHE A 17 11.700 17.122 -8.001 1.00 73.51 O ATOM 231 CB PHE A 17 13.561 16.806 -5.298 1.00 13.53 C ATOM 232 CG PHE A 17 14.072 18.035 -5.995 1.00 23.34 C ATOM 233 CD1 PHE A 17 15.144 17.955 -6.869 1.00 53.54 C ATOM 234 CD2 PHE A 17 13.482 19.269 -5.774 1.00 70.23 C ATOM 235 CE1 PHE A 17 15.617 19.084 -7.513 1.00 32.23 C ATOM 236 CE2 PHE A 17 13.950 20.400 -6.415 1.00 3.31 C ATOM 237 CZ PHE A 17 15.020 20.308 -7.284 1.00 73.02 C ATOM 0 H PHE A 17 14.029 14.400 -5.558 1.00 23.11 H new ATOM 0 HA PHE A 17 11.696 15.867 -5.807 1.00 24.00 H new ATOM 0 HB2 PHE A 17 12.967 17.108 -4.435 1.00 13.53 H new ATOM 0 HB3 PHE A 17 14.408 16.235 -4.918 1.00 13.53 H new ATOM 0 HD1 PHE A 17 15.616 17.000 -7.049 1.00 53.54 H new ATOM 0 HD2 PHE A 17 12.647 19.348 -5.093 1.00 70.23 H new ATOM 0 HE1 PHE A 17 16.452 19.008 -8.194 1.00 32.23 H new ATOM 0 HE2 PHE A 17 13.479 21.356 -6.237 1.00 3.31 H new ATOM 0 HZ PHE A 17 15.389 21.192 -7.783 1.00 73.02 H new ATOM 247 N ASP A 18 13.727 16.221 -8.376 1.00 20.03 N ATOM 248 CA ASP A 18 13.810 16.706 -9.748 1.00 44.53 C ATOM 249 C ASP A 18 12.760 16.035 -10.627 1.00 72.21 C ATOM 250 O ASP A 18 12.107 16.688 -11.440 1.00 15.21 O ATOM 251 CB ASP A 18 15.207 16.453 -10.318 1.00 22.14 C ATOM 252 CG ASP A 18 16.044 17.715 -10.383 1.00 12.54 C ATOM 253 OD1 ASP A 18 15.471 18.794 -10.643 1.00 42.45 O ATOM 254 OD2 ASP A 18 17.271 17.625 -10.172 1.00 22.12 O ATOM 0 H ASP A 18 14.539 15.685 -8.068 1.00 20.03 H new ATOM 0 HA ASP A 18 13.618 17.779 -9.739 1.00 44.53 H new ATOM 0 HB2 ASP A 18 15.718 15.713 -9.703 1.00 22.14 H new ATOM 0 HB3 ASP A 18 15.117 16.029 -11.318 1.00 22.14 H new ATOM 259 N ALA A 19 12.604 14.726 -10.458 1.00 73.24 N ATOM 260 CA ALA A 19 11.632 13.966 -11.235 1.00 63.12 C ATOM 261 C ALA A 19 10.343 14.757 -11.426 1.00 75.20 C ATOM 262 O ALA A 19 9.606 14.537 -12.387 1.00 31.41 O ATOM 263 CB ALA A 19 11.342 12.634 -10.559 1.00 51.04 C ATOM 0 H ALA A 19 13.138 14.170 -9.790 1.00 73.24 H new ATOM 0 HA ALA A 19 12.059 13.776 -12.220 1.00 63.12 H new ATOM 0 HB1 ALA A 19 10.615 12.077 -11.150 1.00 51.04 H new ATOM 0 HB2 ALA A 19 12.264 12.058 -10.480 1.00 51.04 H new ATOM 0 HB3 ALA A 19 10.939 12.812 -9.562 1.00 51.04 H new ATOM 269 N GLN A 20 10.076 15.677 -10.505 1.00 22.25 N ATOM 270 CA GLN A 20 8.874 16.499 -10.572 1.00 32.01 C ATOM 271 C GLN A 20 9.208 17.916 -11.027 1.00 71.32 C ATOM 272 O GLN A 20 8.599 18.438 -11.961 1.00 30.44 O ATOM 273 CB GLN A 20 8.181 16.539 -9.209 1.00 33.22 C ATOM 274 CG GLN A 20 7.162 15.428 -9.012 1.00 14.22 C ATOM 275 CD GLN A 20 7.490 14.185 -9.815 1.00 42.33 C ATOM 276 OE1 GLN A 20 8.590 13.528 -9.466 1.00 60.11 O flip ATOM 277 NE2 GLN A 20 6.764 13.820 -10.740 1.00 32.20 N flip ATOM 0 H GLN A 20 10.676 15.872 -9.703 1.00 22.25 H new ATOM 0 HA GLN A 20 8.199 16.052 -11.302 1.00 32.01 H new ATOM 0 HB2 GLN A 20 8.935 16.472 -8.425 1.00 33.22 H new ATOM 0 HB3 GLN A 20 7.684 17.502 -9.092 1.00 33.22 H new ATOM 0 HG2 GLN A 20 7.112 15.170 -7.954 1.00 14.22 H new ATOM 0 HG3 GLN A 20 6.175 15.791 -9.298 1.00 14.22 H new ATOM 0 HE21 GLN A 20 5.928 14.355 -10.974 1.00 32.20 H new ATOM 0 HE22 GLN A 20 6.999 12.982 -11.272 1.00 32.20 H new ATOM 286 N MET A 21 10.179 18.532 -10.361 1.00 52.45 N ATOM 287 CA MET A 21 10.594 19.889 -10.699 1.00 40.00 C ATOM 288 C MET A 21 10.818 20.031 -12.201 1.00 51.12 C ATOM 289 O MET A 21 10.805 21.139 -12.740 1.00 25.34 O ATOM 290 CB MET A 21 11.873 20.257 -9.944 1.00 72.40 C ATOM 291 CG MET A 21 11.653 21.274 -8.836 1.00 43.02 C ATOM 292 SD MET A 21 11.127 20.513 -7.289 1.00 1.05 S ATOM 293 CE MET A 21 9.463 20.002 -7.711 1.00 63.01 C ATOM 0 H MET A 21 10.693 18.114 -9.585 1.00 52.45 H new ATOM 0 HA MET A 21 9.797 20.570 -10.402 1.00 40.00 H new ATOM 0 HB2 MET A 21 12.305 19.353 -9.515 1.00 72.40 H new ATOM 0 HB3 MET A 21 12.601 20.654 -10.651 1.00 72.40 H new ATOM 0 HG2 MET A 21 12.577 21.828 -8.668 1.00 43.02 H new ATOM 0 HG3 MET A 21 10.901 21.996 -9.155 1.00 43.02 H new ATOM 0 HE1 MET A 21 8.804 20.169 -6.859 1.00 63.01 H new ATOM 0 HE2 MET A 21 9.109 20.583 -8.563 1.00 63.01 H new ATOM 0 HE3 MET A 21 9.462 18.943 -7.968 1.00 63.01 H new ATOM 303 N THR A 22 11.023 18.903 -12.874 1.00 20.10 N ATOM 304 CA THR A 22 11.251 18.902 -14.313 1.00 41.14 C ATOM 305 C THR A 22 9.978 18.545 -15.072 1.00 12.03 C ATOM 306 O THR A 22 9.819 18.898 -16.240 1.00 51.14 O ATOM 307 CB THR A 22 12.363 17.911 -14.705 1.00 44.24 C ATOM 308 OG1 THR A 22 13.606 18.606 -14.860 1.00 21.33 O ATOM 309 CG2 THR A 22 12.015 17.191 -15.999 1.00 62.21 C ATOM 0 H THR A 22 11.036 17.978 -12.445 1.00 20.10 H new ATOM 0 HA THR A 22 11.561 19.911 -14.584 1.00 41.14 H new ATOM 0 HB THR A 22 12.457 17.171 -13.910 1.00 44.24 H new ATOM 0 HG1 THR A 22 14.308 17.969 -15.108 1.00 21.33 H new ATOM 0 HG21 THR A 22 12.815 16.497 -16.256 1.00 62.21 H new ATOM 0 HG22 THR A 22 11.084 16.640 -15.870 1.00 62.21 H new ATOM 0 HG23 THR A 22 11.897 17.920 -16.801 1.00 62.21 H new ATOM 317 N LYS A 23 9.072 17.843 -14.400 1.00 13.14 N ATOM 318 CA LYS A 23 7.810 17.439 -15.009 1.00 1.22 C ATOM 319 C LYS A 23 6.780 18.561 -14.922 1.00 42.10 C ATOM 320 O LYS A 23 5.575 18.312 -14.933 1.00 41.23 O ATOM 321 CB LYS A 23 7.269 16.182 -14.324 1.00 61.25 C ATOM 322 CG LYS A 23 7.651 14.893 -15.031 1.00 61.30 C ATOM 323 CD LYS A 23 7.398 13.679 -14.152 1.00 52.14 C ATOM 324 CE LYS A 23 8.489 12.633 -14.319 1.00 71.34 C ATOM 325 NZ LYS A 23 7.924 11.274 -14.550 1.00 41.30 N ATOM 0 H LYS A 23 9.188 17.542 -13.432 1.00 13.14 H new ATOM 0 HA LYS A 23 7.996 17.221 -16.061 1.00 1.22 H new ATOM 0 HB2 LYS A 23 7.640 16.148 -13.299 1.00 61.25 H new ATOM 0 HB3 LYS A 23 6.182 16.248 -14.268 1.00 61.25 H new ATOM 0 HG2 LYS A 23 7.079 14.800 -15.954 1.00 61.30 H new ATOM 0 HG3 LYS A 23 8.704 14.928 -15.310 1.00 61.30 H new ATOM 0 HD2 LYS A 23 7.346 13.989 -13.108 1.00 52.14 H new ATOM 0 HD3 LYS A 23 6.432 13.242 -14.403 1.00 52.14 H new ATOM 0 HE2 LYS A 23 9.130 12.907 -15.157 1.00 71.34 H new ATOM 0 HE3 LYS A 23 9.118 12.618 -13.429 1.00 71.34 H new ATOM 0 HZ1 LYS A 23 8.699 10.590 -14.659 1.00 41.30 H new ATOM 0 HZ2 LYS A 23 7.333 11.001 -13.739 1.00 41.30 H new ATOM 0 HZ3 LYS A 23 7.345 11.281 -15.414 1.00 41.30 H new ATOM 339 N ALA A 24 7.263 19.796 -14.837 1.00 2.32 N ATOM 340 CA ALA A 24 6.384 20.956 -14.752 1.00 23.01 C ATOM 341 C ALA A 24 6.757 22.005 -15.794 1.00 5.12 C ATOM 342 O ALA A 24 5.887 22.608 -16.423 1.00 24.32 O ATOM 343 CB ALA A 24 6.435 21.556 -13.354 1.00 63.35 C ATOM 0 H ALA A 24 8.258 20.019 -14.825 1.00 2.32 H new ATOM 0 HA ALA A 24 5.366 20.625 -14.956 1.00 23.01 H new ATOM 0 HB1 ALA A 24 5.774 22.421 -13.305 1.00 63.35 H new ATOM 0 HB2 ALA A 24 6.112 20.811 -12.626 1.00 63.35 H new ATOM 0 HB3 ALA A 24 7.455 21.866 -13.128 1.00 63.35 H new ATOM 349 N LYS A 25 8.057 22.220 -15.971 1.00 74.35 N ATOM 350 CA LYS A 25 8.546 23.196 -16.938 1.00 23.14 C ATOM 351 C LYS A 25 8.267 22.736 -18.365 1.00 22.11 C ATOM 352 O LYS A 25 7.791 23.511 -19.194 1.00 32.43 O ATOM 353 CB LYS A 25 10.048 23.423 -16.748 1.00 32.20 C ATOM 354 CG LYS A 25 10.860 22.139 -16.737 1.00 2.55 C ATOM 355 CD LYS A 25 11.930 22.166 -15.658 1.00 12.24 C ATOM 356 CE LYS A 25 12.603 23.527 -15.574 1.00 43.40 C ATOM 357 NZ LYS A 25 13.965 23.437 -14.977 1.00 74.00 N ATOM 0 H LYS A 25 8.790 21.731 -15.457 1.00 74.35 H new ATOM 0 HA LYS A 25 8.018 24.134 -16.769 1.00 23.14 H new ATOM 0 HB2 LYS A 25 10.414 24.068 -17.547 1.00 32.20 H new ATOM 0 HB3 LYS A 25 10.211 23.954 -15.810 1.00 32.20 H new ATOM 0 HG2 LYS A 25 10.197 21.289 -16.572 1.00 2.55 H new ATOM 0 HG3 LYS A 25 11.328 21.995 -17.711 1.00 2.55 H new ATOM 0 HD2 LYS A 25 11.483 21.920 -14.695 1.00 12.24 H new ATOM 0 HD3 LYS A 25 12.678 21.401 -15.867 1.00 12.24 H new ATOM 0 HE2 LYS A 25 12.672 23.960 -16.572 1.00 43.40 H new ATOM 0 HE3 LYS A 25 11.988 24.200 -14.976 1.00 43.40 H new ATOM 0 HZ1 LYS A 25 14.390 24.385 -14.937 1.00 74.00 H new ATOM 0 HZ2 LYS A 25 13.897 23.047 -14.015 1.00 74.00 H new ATOM 0 HZ3 LYS A 25 14.560 22.815 -15.561 1.00 74.00 H new ATOM 371 N GLU A 26 8.566 21.471 -18.643 1.00 72.23 N ATOM 372 CA GLU A 26 8.346 20.909 -19.971 1.00 12.01 C ATOM 373 C GLU A 26 6.856 20.715 -20.239 1.00 62.14 C ATOM 374 O GLU A 26 6.355 21.074 -21.304 1.00 72.33 O ATOM 375 CB GLU A 26 9.079 19.573 -20.112 1.00 11.43 C ATOM 376 CG GLU A 26 9.039 18.721 -18.854 1.00 54.43 C ATOM 377 CD GLU A 26 8.647 17.284 -19.136 1.00 34.10 C ATOM 378 OE1 GLU A 26 7.835 17.061 -20.059 1.00 23.11 O ATOM 379 OE2 GLU A 26 9.150 16.382 -18.434 1.00 3.50 O ATOM 0 H GLU A 26 8.961 20.817 -17.968 1.00 72.23 H new ATOM 0 HA GLU A 26 8.742 21.611 -20.705 1.00 12.01 H new ATOM 0 HB2 GLU A 26 8.638 19.011 -20.935 1.00 11.43 H new ATOM 0 HB3 GLU A 26 10.119 19.765 -20.378 1.00 11.43 H new ATOM 0 HG2 GLU A 26 10.018 18.740 -18.376 1.00 54.43 H new ATOM 0 HG3 GLU A 26 8.331 19.155 -18.148 1.00 54.43 H new ATOM 386 N ALA A 27 6.155 20.144 -19.266 1.00 31.25 N ATOM 387 CA ALA A 27 4.723 19.903 -19.395 1.00 63.12 C ATOM 388 C ALA A 27 3.947 21.215 -19.434 1.00 60.10 C ATOM 389 O ALA A 27 2.871 21.293 -20.024 1.00 54.44 O ATOM 390 CB ALA A 27 4.229 19.029 -18.252 1.00 24.21 C ATOM 0 H ALA A 27 6.555 19.839 -18.379 1.00 31.25 H new ATOM 0 HA ALA A 27 4.551 19.381 -20.336 1.00 63.12 H new ATOM 0 HB1 ALA A 27 3.158 18.858 -18.362 1.00 24.21 H new ATOM 0 HB2 ALA A 27 4.753 18.074 -18.272 1.00 24.21 H new ATOM 0 HB3 ALA A 27 4.421 19.529 -17.303 1.00 24.21 H new ATOM 396 N GLY A 28 4.501 22.244 -18.800 1.00 32.03 N ATOM 397 CA GLY A 28 3.846 23.539 -18.773 1.00 72.34 C ATOM 398 C GLY A 28 2.848 23.661 -17.639 1.00 25.05 C ATOM 399 O GLY A 28 1.801 24.290 -17.787 1.00 74.15 O ATOM 0 H GLY A 28 5.392 22.204 -18.305 1.00 32.03 H new ATOM 0 HA2 GLY A 28 4.599 24.321 -18.676 1.00 72.34 H new ATOM 0 HA3 GLY A 28 3.335 23.704 -19.722 1.00 72.34 H new ATOM 403 N LYS A 29 3.173 23.057 -16.500 1.00 72.14 N ATOM 404 CA LYS A 29 2.298 23.100 -15.335 1.00 21.24 C ATOM 405 C LYS A 29 3.035 23.658 -14.122 1.00 2.34 C ATOM 406 O LYS A 29 4.265 23.644 -14.069 1.00 41.23 O ATOM 407 CB LYS A 29 1.764 21.700 -15.020 1.00 40.53 C ATOM 408 CG LYS A 29 2.719 20.857 -14.194 1.00 33.44 C ATOM 409 CD LYS A 29 2.818 19.439 -14.731 1.00 34.42 C ATOM 410 CE LYS A 29 1.493 18.969 -15.313 1.00 11.34 C ATOM 411 NZ LYS A 29 1.238 17.531 -15.023 1.00 24.02 N ATOM 0 H LYS A 29 4.036 22.532 -16.360 1.00 72.14 H new ATOM 0 HA LYS A 29 1.461 23.759 -15.565 1.00 21.24 H new ATOM 0 HB2 LYS A 29 0.819 21.793 -14.485 1.00 40.53 H new ATOM 0 HB3 LYS A 29 1.552 21.182 -15.955 1.00 40.53 H new ATOM 0 HG2 LYS A 29 3.707 21.318 -14.196 1.00 33.44 H new ATOM 0 HG3 LYS A 29 2.381 20.832 -13.158 1.00 33.44 H new ATOM 0 HD2 LYS A 29 3.591 19.393 -15.499 1.00 34.42 H new ATOM 0 HD3 LYS A 29 3.124 18.766 -13.930 1.00 34.42 H new ATOM 0 HE2 LYS A 29 0.682 19.571 -14.903 1.00 11.34 H new ATOM 0 HE3 LYS A 29 1.494 19.127 -16.391 1.00 11.34 H new ATOM 0 HZ1 LYS A 29 0.326 17.250 -15.436 1.00 24.02 H new ATOM 0 HZ2 LYS A 29 1.998 16.953 -15.436 1.00 24.02 H new ATOM 0 HZ3 LYS A 29 1.212 17.384 -13.994 1.00 24.02 H new ATOM 425 N VAL A 30 2.276 24.148 -13.147 1.00 54.51 N ATOM 426 CA VAL A 30 2.857 24.709 -11.933 1.00 52.32 C ATOM 427 C VAL A 30 3.468 23.618 -11.061 1.00 74.14 C ATOM 428 O VAL A 30 3.167 22.435 -11.227 1.00 2.54 O ATOM 429 CB VAL A 30 1.806 25.479 -11.112 1.00 10.34 C ATOM 430 CG1 VAL A 30 1.902 25.109 -9.640 1.00 23.44 C ATOM 431 CG2 VAL A 30 1.974 26.979 -11.304 1.00 70.13 C ATOM 0 H VAL A 30 1.257 24.168 -13.174 1.00 54.51 H new ATOM 0 HA VAL A 30 3.640 25.400 -12.247 1.00 52.32 H new ATOM 0 HB VAL A 30 0.815 25.198 -11.469 1.00 10.34 H new ATOM 0 HG11 VAL A 30 1.152 25.663 -9.076 1.00 23.44 H new ATOM 0 HG12 VAL A 30 1.728 24.039 -9.522 1.00 23.44 H new ATOM 0 HG13 VAL A 30 2.895 25.359 -9.266 1.00 23.44 H new ATOM 0 HG21 VAL A 30 1.223 27.507 -10.717 1.00 70.13 H new ATOM 0 HG22 VAL A 30 2.969 27.279 -10.975 1.00 70.13 H new ATOM 0 HG23 VAL A 30 1.850 27.227 -12.358 1.00 70.13 H new ATOM 441 N VAL A 31 4.327 24.023 -10.131 1.00 71.54 N ATOM 442 CA VAL A 31 4.980 23.079 -9.231 1.00 55.43 C ATOM 443 C VAL A 31 4.630 23.375 -7.777 1.00 54.43 C ATOM 444 O VAL A 31 4.396 24.526 -7.407 1.00 1.25 O ATOM 445 CB VAL A 31 6.510 23.113 -9.397 1.00 5.34 C ATOM 446 CG1 VAL A 31 7.183 22.281 -8.316 1.00 21.23 C ATOM 447 CG2 VAL A 31 6.907 22.625 -10.782 1.00 23.04 C ATOM 0 H VAL A 31 4.587 24.998 -9.981 1.00 71.54 H new ATOM 0 HA VAL A 31 4.616 22.086 -9.494 1.00 55.43 H new ATOM 0 HB VAL A 31 6.847 24.144 -9.290 1.00 5.34 H new ATOM 0 HG11 VAL A 31 8.264 22.317 -8.450 1.00 21.23 H new ATOM 0 HG12 VAL A 31 6.925 22.681 -7.335 1.00 21.23 H new ATOM 0 HG13 VAL A 31 6.843 21.248 -8.387 1.00 21.23 H new ATOM 0 HG21 VAL A 31 7.992 22.656 -10.881 1.00 23.04 H new ATOM 0 HG22 VAL A 31 6.559 21.601 -10.921 1.00 23.04 H new ATOM 0 HG23 VAL A 31 6.455 23.268 -11.538 1.00 23.04 H new ATOM 457 N ILE A 32 4.596 22.330 -6.958 1.00 73.20 N ATOM 458 CA ILE A 32 4.276 22.478 -5.544 1.00 11.23 C ATOM 459 C ILE A 32 5.103 21.523 -4.690 1.00 31.11 C ATOM 460 O ILE A 32 4.757 20.351 -4.540 1.00 71.32 O ATOM 461 CB ILE A 32 2.781 22.226 -5.275 1.00 74.51 C ATOM 462 CG1 ILE A 32 1.921 23.049 -6.236 1.00 41.40 C ATOM 463 CG2 ILE A 32 2.438 22.559 -3.831 1.00 2.12 C ATOM 464 CD1 ILE A 32 1.516 22.295 -7.483 1.00 33.43 C ATOM 0 H ILE A 32 4.786 21.371 -7.249 1.00 73.20 H new ATOM 0 HA ILE A 32 4.517 23.506 -5.272 1.00 11.23 H new ATOM 0 HB ILE A 32 2.571 21.170 -5.443 1.00 74.51 H new ATOM 0 HG12 ILE A 32 1.023 23.380 -5.714 1.00 41.40 H new ATOM 0 HG13 ILE A 32 2.470 23.945 -6.525 1.00 41.40 H new ATOM 0 HG21 ILE A 32 1.378 22.375 -3.657 1.00 2.12 H new ATOM 0 HG22 ILE A 32 3.029 21.932 -3.163 1.00 2.12 H new ATOM 0 HG23 ILE A 32 2.661 23.608 -3.637 1.00 2.12 H new ATOM 0 HD11 ILE A 32 0.908 22.940 -8.117 1.00 33.43 H new ATOM 0 HD12 ILE A 32 2.408 21.987 -8.028 1.00 33.43 H new ATOM 0 HD13 ILE A 32 0.939 21.413 -7.204 1.00 33.43 H new ATOM 476 N ILE A 33 6.195 22.032 -4.131 1.00 44.52 N ATOM 477 CA ILE A 33 7.070 21.225 -3.290 1.00 11.23 C ATOM 478 C ILE A 33 6.771 21.450 -1.811 1.00 43.13 C ATOM 479 O ILE A 33 6.729 22.587 -1.342 1.00 3.50 O ATOM 480 CB ILE A 33 8.554 21.539 -3.556 1.00 0.34 C ATOM 481 CG1 ILE A 33 8.757 21.954 -5.014 1.00 73.35 C ATOM 482 CG2 ILE A 33 9.419 20.335 -3.216 1.00 64.13 C ATOM 483 CD1 ILE A 33 8.973 23.440 -5.196 1.00 71.21 C ATOM 0 H ILE A 33 6.495 23.000 -4.245 1.00 44.52 H new ATOM 0 HA ILE A 33 6.877 20.182 -3.543 1.00 11.23 H new ATOM 0 HB ILE A 33 8.855 22.369 -2.917 1.00 0.34 H new ATOM 0 HG12 ILE A 33 9.615 21.418 -5.419 1.00 73.35 H new ATOM 0 HG13 ILE A 33 7.887 21.648 -5.595 1.00 73.35 H new ATOM 0 HG21 ILE A 33 10.465 20.572 -3.409 1.00 64.13 H new ATOM 0 HG22 ILE A 33 9.293 20.082 -2.163 1.00 64.13 H new ATOM 0 HG23 ILE A 33 9.120 19.487 -3.831 1.00 64.13 H new ATOM 0 HD11 ILE A 33 9.110 23.661 -6.255 1.00 71.21 H new ATOM 0 HD12 ILE A 33 8.105 23.982 -4.821 1.00 71.21 H new ATOM 0 HD13 ILE A 33 9.860 23.749 -4.643 1.00 71.21 H new ATOM 495 N ASP A 34 6.566 20.359 -1.082 1.00 62.33 N ATOM 496 CA ASP A 34 6.274 20.436 0.344 1.00 24.14 C ATOM 497 C ASP A 34 7.526 20.158 1.171 1.00 61.11 C ATOM 498 O ASP A 34 7.778 19.022 1.572 1.00 30.43 O ATOM 499 CB ASP A 34 5.172 19.443 0.716 1.00 60.33 C ATOM 500 CG ASP A 34 5.218 19.047 2.178 1.00 23.43 C ATOM 501 OD1 ASP A 34 5.207 19.952 3.038 1.00 33.33 O ATOM 502 OD2 ASP A 34 5.267 17.831 2.463 1.00 40.40 O ATOM 0 H ASP A 34 6.597 19.410 -1.455 1.00 62.33 H new ATOM 0 HA ASP A 34 5.931 21.447 0.565 1.00 24.14 H new ATOM 0 HB2 ASP A 34 4.200 19.883 0.492 1.00 60.33 H new ATOM 0 HB3 ASP A 34 5.268 18.550 0.098 1.00 60.33 H new ATOM 507 N PHE A 35 8.308 21.203 1.421 1.00 60.01 N ATOM 508 CA PHE A 35 9.535 21.071 2.198 1.00 40.22 C ATOM 509 C PHE A 35 9.237 20.554 3.602 1.00 13.42 C ATOM 510 O PHE A 35 8.129 20.098 3.887 1.00 54.33 O ATOM 511 CB PHE A 35 10.258 22.417 2.280 1.00 24.04 C ATOM 512 CG PHE A 35 11.109 22.715 1.079 1.00 25.22 C ATOM 513 CD1 PHE A 35 12.205 21.922 0.776 1.00 55.03 C ATOM 514 CD2 PHE A 35 10.815 23.788 0.254 1.00 73.13 C ATOM 515 CE1 PHE A 35 12.990 22.193 -0.329 1.00 54.12 C ATOM 516 CE2 PHE A 35 11.596 24.064 -0.853 1.00 33.54 C ATOM 517 CZ PHE A 35 12.685 23.266 -1.144 1.00 22.02 C ATOM 0 H PHE A 35 8.114 22.150 1.097 1.00 60.01 H new ATOM 0 HA PHE A 35 10.179 20.350 1.694 1.00 40.22 H new ATOM 0 HB2 PHE A 35 9.520 23.210 2.398 1.00 24.04 H new ATOM 0 HB3 PHE A 35 10.885 22.430 3.172 1.00 24.04 H new ATOM 0 HD1 PHE A 35 12.448 21.083 1.411 1.00 55.03 H new ATOM 0 HD2 PHE A 35 9.966 24.416 0.478 1.00 73.13 H new ATOM 0 HE1 PHE A 35 13.840 21.567 -0.555 1.00 54.12 H new ATOM 0 HE2 PHE A 35 11.355 24.903 -1.489 1.00 33.54 H new ATOM 0 HZ PHE A 35 13.297 23.480 -2.007 1.00 22.02 H new ATOM 527 N THR A 36 10.234 20.628 4.478 1.00 42.31 N ATOM 528 CA THR A 36 10.081 20.167 5.852 1.00 71.02 C ATOM 529 C THR A 36 11.428 20.093 6.561 1.00 64.24 C ATOM 530 O THR A 36 12.408 19.601 6.002 1.00 61.15 O ATOM 531 CB THR A 36 9.407 18.783 5.908 1.00 64.22 C ATOM 532 OG1 THR A 36 9.788 18.101 7.108 1.00 21.11 O ATOM 533 CG2 THR A 36 9.792 17.944 4.698 1.00 3.43 C ATOM 0 H THR A 36 11.157 21.003 4.260 1.00 42.31 H new ATOM 0 HA THR A 36 9.446 20.893 6.360 1.00 71.02 H new ATOM 0 HB THR A 36 8.327 18.929 5.900 1.00 64.22 H new ATOM 0 HG1 THR A 36 9.354 17.223 7.137 1.00 21.11 H new ATOM 0 HG21 THR A 36 9.304 16.971 4.760 1.00 3.43 H new ATOM 0 HG22 THR A 36 9.475 18.452 3.787 1.00 3.43 H new ATOM 0 HG23 THR A 36 10.873 17.807 4.679 1.00 3.43 H new ATOM 541 N ALA A 37 11.470 20.584 7.795 1.00 64.02 N ATOM 542 CA ALA A 37 12.698 20.571 8.581 1.00 72.50 C ATOM 543 C ALA A 37 13.034 19.159 9.050 1.00 61.14 C ATOM 544 O ALA A 37 13.903 18.497 8.482 1.00 74.40 O ATOM 545 CB ALA A 37 12.572 21.508 9.772 1.00 13.34 C ATOM 0 H ALA A 37 10.668 20.996 8.272 1.00 64.02 H new ATOM 0 HA ALA A 37 13.512 20.918 7.944 1.00 72.50 H new ATOM 0 HB1 ALA A 37 13.496 21.488 10.350 1.00 13.34 H new ATOM 0 HB2 ALA A 37 12.387 22.522 9.419 1.00 13.34 H new ATOM 0 HB3 ALA A 37 11.743 21.186 10.402 1.00 13.34 H new ATOM 551 N SER A 38 12.341 18.705 10.089 1.00 24.32 N ATOM 552 CA SER A 38 12.570 17.373 10.637 1.00 22.20 C ATOM 553 C SER A 38 11.479 17.002 11.637 1.00 71.24 C ATOM 554 O SER A 38 11.053 15.849 11.707 1.00 14.21 O ATOM 555 CB SER A 38 13.941 17.305 11.313 1.00 61.23 C ATOM 556 OG SER A 38 14.000 16.236 12.241 1.00 34.12 O ATOM 0 H SER A 38 11.616 19.240 10.568 1.00 24.32 H new ATOM 0 HA SER A 38 12.543 16.659 9.814 1.00 22.20 H new ATOM 0 HB2 SER A 38 14.716 17.178 10.558 1.00 61.23 H new ATOM 0 HB3 SER A 38 14.145 18.246 11.824 1.00 61.23 H new ATOM 0 HG SER A 38 14.887 16.213 12.658 1.00 34.12 H new ATOM 562 N TRP A 39 11.032 17.987 12.407 1.00 21.22 N ATOM 563 CA TRP A 39 9.990 17.765 13.404 1.00 64.13 C ATOM 564 C TRP A 39 8.700 18.474 13.009 1.00 75.32 C ATOM 565 O TRP A 39 7.604 18.006 13.320 1.00 34.21 O ATOM 566 CB TRP A 39 10.456 18.254 14.776 1.00 1.00 C ATOM 567 CG TRP A 39 10.706 19.731 14.827 1.00 64.13 C ATOM 568 CD1 TRP A 39 9.890 20.682 15.369 1.00 42.33 C ATOM 569 CD2 TRP A 39 11.849 20.425 14.314 1.00 61.50 C ATOM 570 NE1 TRP A 39 10.457 21.926 15.224 1.00 72.33 N ATOM 571 CE2 TRP A 39 11.659 21.795 14.581 1.00 61.43 C ATOM 572 CE3 TRP A 39 13.015 20.022 13.658 1.00 61.34 C ATOM 573 CZ2 TRP A 39 12.592 22.761 14.212 1.00 35.31 C ATOM 574 CZ3 TRP A 39 13.939 20.982 13.292 1.00 24.31 C ATOM 575 CH2 TRP A 39 13.724 22.338 13.571 1.00 50.04 C ATOM 0 H TRP A 39 11.374 18.947 12.361 1.00 21.22 H new ATOM 0 HA TRP A 39 9.793 16.694 13.456 1.00 64.13 H new ATOM 0 HB2 TRP A 39 9.704 17.994 15.521 1.00 1.00 H new ATOM 0 HB3 TRP A 39 11.371 17.728 15.050 1.00 1.00 H new ATOM 0 HD1 TRP A 39 8.939 20.486 15.842 1.00 42.33 H new ATOM 0 HE1 TRP A 39 10.049 22.804 15.544 1.00 72.33 H new ATOM 0 HE3 TRP A 39 13.191 18.979 13.441 1.00 61.34 H new ATOM 0 HZ2 TRP A 39 12.428 23.807 14.424 1.00 35.31 H new ATOM 0 HZ3 TRP A 39 14.842 20.682 12.782 1.00 24.31 H new ATOM 0 HH2 TRP A 39 14.467 23.064 13.274 1.00 50.04 H new ATOM 586 N CYS A 40 8.836 19.603 12.323 1.00 71.25 N ATOM 587 CA CYS A 40 7.679 20.376 11.886 1.00 41.44 C ATOM 588 C CYS A 40 6.951 19.669 10.747 1.00 14.34 C ATOM 589 O CYS A 40 7.488 19.520 9.651 1.00 53.13 O ATOM 590 CB CYS A 40 8.113 21.774 11.440 1.00 73.43 C ATOM 591 SG CYS A 40 7.033 23.102 12.021 1.00 11.20 S ATOM 0 H CYS A 40 9.736 20.004 12.057 1.00 71.25 H new ATOM 0 HA CYS A 40 6.994 20.467 12.729 1.00 41.44 H new ATOM 0 HB2 CYS A 40 9.125 21.960 11.799 1.00 73.43 H new ATOM 0 HB3 CYS A 40 8.151 21.801 10.351 1.00 73.43 H new ATOM 0 HG CYS A 40 7.483 24.245 11.595 1.00 11.20 H new ATOM 597 N GLY A 41 5.723 19.234 11.017 1.00 64.10 N ATOM 598 CA GLY A 41 4.942 18.546 10.006 1.00 32.22 C ATOM 599 C GLY A 41 3.935 17.585 10.607 1.00 71.23 C ATOM 600 O GLY A 41 4.294 16.578 11.217 1.00 34.33 O ATOM 0 H GLY A 41 5.256 19.346 11.917 1.00 64.10 H new ATOM 0 HA2 GLY A 41 4.419 19.280 9.394 1.00 32.22 H new ATOM 0 HA3 GLY A 41 5.612 17.998 9.344 1.00 32.22 H new ATOM 604 N PRO A 42 2.641 17.895 10.436 1.00 20.35 N ATOM 605 CA PRO A 42 1.553 17.064 10.960 1.00 34.11 C ATOM 606 C PRO A 42 1.432 15.734 10.223 1.00 3.34 C ATOM 607 O PRO A 42 1.385 14.672 10.845 1.00 64.24 O ATOM 608 CB PRO A 42 0.307 17.921 10.723 1.00 13.13 C ATOM 609 CG PRO A 42 0.668 18.808 9.582 1.00 23.12 C ATOM 610 CD PRO A 42 2.141 19.080 9.719 1.00 31.53 C ATOM 0 HA PRO A 42 1.712 16.797 12.005 1.00 34.11 H new ATOM 0 HB2 PRO A 42 -0.559 17.303 10.485 1.00 13.13 H new ATOM 0 HB3 PRO A 42 0.051 18.501 11.610 1.00 13.13 H new ATOM 0 HG2 PRO A 42 0.447 18.327 8.629 1.00 23.12 H new ATOM 0 HG3 PRO A 42 0.095 19.735 9.612 1.00 23.12 H new ATOM 0 HD2 PRO A 42 2.621 19.194 8.747 1.00 31.53 H new ATOM 0 HD3 PRO A 42 2.330 19.997 10.277 1.00 31.53 H new ATOM 618 N CYS A 43 1.383 15.800 8.898 1.00 44.33 N ATOM 619 CA CYS A 43 1.268 14.600 8.076 1.00 2.51 C ATOM 620 C CYS A 43 0.255 13.629 8.672 1.00 73.21 C ATOM 621 O CYS A 43 0.493 12.422 8.724 1.00 3.22 O ATOM 622 CB CYS A 43 2.630 13.917 7.941 1.00 13.11 C ATOM 623 SG CYS A 43 3.554 14.399 6.464 1.00 44.20 S ATOM 0 H CYS A 43 1.421 16.671 8.369 1.00 44.33 H new ATOM 0 HA CYS A 43 0.920 14.898 7.087 1.00 2.51 H new ATOM 0 HB2 CYS A 43 3.229 14.147 8.822 1.00 13.11 H new ATOM 0 HB3 CYS A 43 2.483 12.837 7.928 1.00 13.11 H new ATOM 0 HG CYS A 43 4.692 13.771 6.440 1.00 44.20 H new ATOM 629 N ARG A 44 -0.876 14.163 9.121 1.00 10.24 N ATOM 630 CA ARG A 44 -1.925 13.344 9.716 1.00 22.34 C ATOM 631 C ARG A 44 -3.295 13.987 9.520 1.00 64.44 C ATOM 632 O ARG A 44 -4.226 13.349 9.029 1.00 54.04 O ATOM 633 CB ARG A 44 -1.656 13.138 11.208 1.00 22.32 C ATOM 634 CG ARG A 44 -0.751 11.953 11.506 1.00 11.21 C ATOM 635 CD ARG A 44 -1.134 11.274 12.811 1.00 34.15 C ATOM 636 NE ARG A 44 0.026 11.034 13.665 1.00 0.32 N ATOM 637 CZ ARG A 44 -0.019 10.318 14.783 1.00 13.31 C ATOM 638 NH1 ARG A 44 -1.161 9.774 15.180 1.00 54.11 N ATOM 639 NH2 ARG A 44 1.080 10.145 15.506 1.00 35.15 N ATOM 0 H ARG A 44 -1.089 15.160 9.084 1.00 10.24 H new ATOM 0 HA ARG A 44 -1.922 12.376 9.216 1.00 22.34 H new ATOM 0 HB2 ARG A 44 -1.203 14.042 11.615 1.00 22.32 H new ATOM 0 HB3 ARG A 44 -2.606 12.998 11.724 1.00 22.32 H new ATOM 0 HG2 ARG A 44 -0.811 11.234 10.689 1.00 11.21 H new ATOM 0 HG3 ARG A 44 0.285 12.289 11.560 1.00 11.21 H new ATOM 0 HD2 ARG A 44 -1.854 11.894 13.344 1.00 34.15 H new ATOM 0 HD3 ARG A 44 -1.627 10.326 12.595 1.00 34.15 H new ATOM 0 HE ARG A 44 0.920 11.439 13.388 1.00 0.32 H new ATOM 0 HH11 ARG A 44 -2.008 9.905 14.627 1.00 54.11 H new ATOM 0 HH12 ARG A 44 -1.193 9.225 16.039 1.00 54.11 H new ATOM 0 HH21 ARG A 44 1.960 10.562 15.203 1.00 35.15 H new ATOM 0 HH22 ARG A 44 1.044 9.595 16.364 1.00 35.15 H new ATOM 653 N PHE A 45 -3.409 15.253 9.907 1.00 73.35 N ATOM 654 CA PHE A 45 -4.665 15.982 9.774 1.00 33.32 C ATOM 655 C PHE A 45 -4.874 16.449 8.337 1.00 72.03 C ATOM 656 O PHE A 45 -5.983 16.379 7.805 1.00 24.11 O ATOM 657 CB PHE A 45 -4.684 17.184 10.721 1.00 71.41 C ATOM 658 CG PHE A 45 -5.854 18.100 10.503 1.00 43.33 C ATOM 659 CD1 PHE A 45 -7.118 17.751 10.950 1.00 63.01 C ATOM 660 CD2 PHE A 45 -5.689 19.311 9.850 1.00 52.33 C ATOM 661 CE1 PHE A 45 -8.196 18.592 10.751 1.00 11.50 C ATOM 662 CE2 PHE A 45 -6.764 20.157 9.648 1.00 24.04 C ATOM 663 CZ PHE A 45 -8.019 19.797 10.098 1.00 22.44 C ATOM 0 H PHE A 45 -2.647 15.795 10.315 1.00 73.35 H new ATOM 0 HA PHE A 45 -5.478 15.306 10.039 1.00 33.32 H new ATOM 0 HB2 PHE A 45 -4.700 16.825 11.750 1.00 71.41 H new ATOM 0 HB3 PHE A 45 -3.761 17.750 10.595 1.00 71.41 H new ATOM 0 HD1 PHE A 45 -7.262 16.810 11.460 1.00 63.01 H new ATOM 0 HD2 PHE A 45 -4.710 19.597 9.495 1.00 52.33 H new ATOM 0 HE1 PHE A 45 -9.176 18.308 11.105 1.00 11.50 H new ATOM 0 HE2 PHE A 45 -6.622 21.099 9.139 1.00 24.04 H new ATOM 0 HZ PHE A 45 -8.860 20.456 9.940 1.00 22.44 H new ATOM 673 N ILE A 46 -3.801 16.926 7.714 1.00 35.13 N ATOM 674 CA ILE A 46 -3.867 17.404 6.339 1.00 4.20 C ATOM 675 C ILE A 46 -3.215 16.413 5.381 1.00 73.22 C ATOM 676 O ILE A 46 -3.010 16.714 4.205 1.00 23.44 O ATOM 677 CB ILE A 46 -3.180 18.775 6.187 1.00 75.45 C ATOM 678 CG1 ILE A 46 -3.753 19.525 4.982 1.00 63.42 C ATOM 679 CG2 ILE A 46 -1.676 18.601 6.043 1.00 21.42 C ATOM 680 CD1 ILE A 46 -3.623 21.028 5.089 1.00 73.11 C ATOM 0 H ILE A 46 -2.876 16.991 8.140 1.00 35.13 H new ATOM 0 HA ILE A 46 -4.923 17.505 6.090 1.00 4.20 H new ATOM 0 HB ILE A 46 -3.373 19.364 7.084 1.00 75.45 H new ATOM 0 HG12 ILE A 46 -3.244 19.188 4.079 1.00 63.42 H new ATOM 0 HG13 ILE A 46 -4.806 19.266 4.870 1.00 63.42 H new ATOM 0 HG21 ILE A 46 -1.205 19.578 5.937 1.00 21.42 H new ATOM 0 HG22 ILE A 46 -1.281 18.102 6.928 1.00 21.42 H new ATOM 0 HG23 ILE A 46 -1.462 17.997 5.161 1.00 21.42 H new ATOM 0 HD11 ILE A 46 -4.050 21.494 4.201 1.00 73.11 H new ATOM 0 HD12 ILE A 46 -4.156 21.377 5.974 1.00 73.11 H new ATOM 0 HD13 ILE A 46 -2.570 21.297 5.170 1.00 73.11 H new ATOM 692 N ALA A 47 -2.894 15.228 5.891 1.00 15.43 N ATOM 693 CA ALA A 47 -2.270 14.191 5.080 1.00 32.32 C ATOM 694 C ALA A 47 -3.120 13.864 3.857 1.00 53.30 C ATOM 695 O ALA A 47 -2.659 13.922 2.717 1.00 22.20 O ATOM 696 CB ALA A 47 -2.037 12.939 5.913 1.00 74.42 C ATOM 0 H ALA A 47 -3.056 14.963 6.863 1.00 15.43 H new ATOM 0 HA ALA A 47 -1.308 14.567 4.731 1.00 32.32 H new ATOM 0 HB1 ALA A 47 -1.570 12.172 5.295 1.00 74.42 H new ATOM 0 HB2 ALA A 47 -1.383 13.177 6.752 1.00 74.42 H new ATOM 0 HB3 ALA A 47 -2.991 12.570 6.290 1.00 74.42 H new ATOM 702 N PRO A 48 -4.392 13.512 4.096 1.00 13.42 N ATOM 703 CA PRO A 48 -5.333 13.170 3.026 1.00 75.41 C ATOM 704 C PRO A 48 -5.724 14.382 2.187 1.00 63.42 C ATOM 705 O PRO A 48 -6.578 14.290 1.305 1.00 62.20 O ATOM 706 CB PRO A 48 -6.549 12.629 3.782 1.00 15.14 C ATOM 707 CG PRO A 48 -6.474 13.268 5.126 1.00 15.30 C ATOM 708 CD PRO A 48 -5.010 13.423 5.430 1.00 61.40 C ATOM 0 HA PRO A 48 -4.904 12.461 2.318 1.00 75.41 H new ATOM 0 HB2 PRO A 48 -7.478 12.886 3.273 1.00 15.14 H new ATOM 0 HB3 PRO A 48 -6.517 11.542 3.858 1.00 15.14 H new ATOM 0 HG2 PRO A 48 -6.977 14.235 5.127 1.00 15.30 H new ATOM 0 HG3 PRO A 48 -6.966 12.652 5.879 1.00 15.30 H new ATOM 0 HD2 PRO A 48 -4.815 14.316 6.023 1.00 61.40 H new ATOM 0 HD3 PRO A 48 -4.625 12.574 5.995 1.00 61.40 H new ATOM 716 N VAL A 49 -5.092 15.517 2.467 1.00 52.44 N ATOM 717 CA VAL A 49 -5.372 16.748 1.736 1.00 34.22 C ATOM 718 C VAL A 49 -4.314 17.007 0.670 1.00 51.01 C ATOM 719 O VAL A 49 -4.636 17.303 -0.481 1.00 33.01 O ATOM 720 CB VAL A 49 -5.439 17.960 2.684 1.00 45.32 C ATOM 721 CG1 VAL A 49 -5.196 19.251 1.917 1.00 40.31 C ATOM 722 CG2 VAL A 49 -6.778 18.001 3.403 1.00 54.40 C ATOM 0 H VAL A 49 -4.383 15.610 3.194 1.00 52.44 H new ATOM 0 HA VAL A 49 -6.342 16.618 1.256 1.00 34.22 H new ATOM 0 HB VAL A 49 -4.654 17.857 3.433 1.00 45.32 H new ATOM 0 HG11 VAL A 49 -5.247 20.097 2.603 1.00 40.31 H new ATOM 0 HG12 VAL A 49 -4.210 19.219 1.453 1.00 40.31 H new ATOM 0 HG13 VAL A 49 -5.957 19.364 1.144 1.00 40.31 H new ATOM 0 HG21 VAL A 49 -6.807 18.864 4.068 1.00 54.40 H new ATOM 0 HG22 VAL A 49 -7.582 18.080 2.671 1.00 54.40 H new ATOM 0 HG23 VAL A 49 -6.906 17.089 3.986 1.00 54.40 H new ATOM 732 N PHE A 50 -3.049 16.894 1.060 1.00 22.50 N ATOM 733 CA PHE A 50 -1.942 17.116 0.138 1.00 45.14 C ATOM 734 C PHE A 50 -1.945 16.075 -0.978 1.00 21.44 C ATOM 735 O PHE A 50 -2.257 16.382 -2.128 1.00 2.14 O ATOM 736 CB PHE A 50 -0.609 17.072 0.888 1.00 44.54 C ATOM 737 CG PHE A 50 -0.506 18.090 1.987 1.00 1.33 C ATOM 738 CD1 PHE A 50 -1.423 19.125 2.079 1.00 5.23 C ATOM 739 CD2 PHE A 50 0.508 18.013 2.929 1.00 72.43 C ATOM 740 CE1 PHE A 50 -1.331 20.063 3.090 1.00 12.43 C ATOM 741 CE2 PHE A 50 0.604 18.947 3.942 1.00 10.41 C ATOM 742 CZ PHE A 50 -0.316 19.975 4.022 1.00 22.22 C ATOM 0 H PHE A 50 -2.765 16.650 2.009 1.00 22.50 H new ATOM 0 HA PHE A 50 -2.067 18.102 -0.309 1.00 45.14 H new ATOM 0 HB2 PHE A 50 -0.472 16.077 1.311 1.00 44.54 H new ATOM 0 HB3 PHE A 50 0.203 17.231 0.179 1.00 44.54 H new ATOM 0 HD1 PHE A 50 -2.219 19.200 1.352 1.00 5.23 H new ATOM 0 HD2 PHE A 50 1.231 17.213 2.870 1.00 72.43 H new ATOM 0 HE1 PHE A 50 -2.053 20.864 3.151 1.00 12.43 H new ATOM 0 HE2 PHE A 50 1.397 18.874 4.671 1.00 10.41 H new ATOM 0 HZ PHE A 50 -0.241 20.708 4.812 1.00 22.22 H new ATOM 752 N ALA A 51 -1.595 14.841 -0.628 1.00 1.10 N ATOM 753 CA ALA A 51 -1.559 13.754 -1.598 1.00 24.52 C ATOM 754 C ALA A 51 -2.806 13.758 -2.475 1.00 33.05 C ATOM 755 O ALA A 51 -2.715 13.686 -3.699 1.00 62.15 O ATOM 756 CB ALA A 51 -1.416 12.416 -0.886 1.00 51.31 C ATOM 0 H ALA A 51 -1.333 14.570 0.320 1.00 1.10 H new ATOM 0 HA ALA A 51 -0.693 13.905 -2.243 1.00 24.52 H new ATOM 0 HB1 ALA A 51 -1.390 11.613 -1.622 1.00 51.31 H new ATOM 0 HB2 ALA A 51 -0.492 12.408 -0.308 1.00 51.31 H new ATOM 0 HB3 ALA A 51 -2.263 12.268 -0.217 1.00 51.31 H new ATOM 762 N GLU A 52 -3.971 13.842 -1.839 1.00 3.44 N ATOM 763 CA GLU A 52 -5.236 13.854 -2.562 1.00 55.44 C ATOM 764 C GLU A 52 -5.321 15.062 -3.491 1.00 43.41 C ATOM 765 O GLU A 52 -5.908 14.989 -4.571 1.00 2.21 O ATOM 766 CB GLU A 52 -6.410 13.869 -1.581 1.00 74.12 C ATOM 767 CG GLU A 52 -6.966 15.258 -1.317 1.00 2.30 C ATOM 768 CD GLU A 52 -8.221 15.233 -0.467 1.00 74.21 C ATOM 769 OE1 GLU A 52 -8.965 14.232 -0.536 1.00 51.33 O ATOM 770 OE2 GLU A 52 -8.460 16.214 0.268 1.00 43.34 O ATOM 0 H GLU A 52 -4.064 13.903 -0.825 1.00 3.44 H new ATOM 0 HA GLU A 52 -5.288 12.948 -3.166 1.00 55.44 H new ATOM 0 HB2 GLU A 52 -7.207 13.236 -1.972 1.00 74.12 H new ATOM 0 HB3 GLU A 52 -6.089 13.430 -0.636 1.00 74.12 H new ATOM 0 HG2 GLU A 52 -6.206 15.860 -0.819 1.00 2.30 H new ATOM 0 HG3 GLU A 52 -7.185 15.744 -2.268 1.00 2.30 H new ATOM 777 N TYR A 53 -4.731 16.173 -3.063 1.00 25.43 N ATOM 778 CA TYR A 53 -4.741 17.398 -3.853 1.00 61.43 C ATOM 779 C TYR A 53 -3.878 17.247 -5.103 1.00 34.03 C ATOM 780 O TYR A 53 -4.282 17.634 -6.199 1.00 65.21 O ATOM 781 CB TYR A 53 -4.242 18.575 -3.014 1.00 44.24 C ATOM 782 CG TYR A 53 -5.302 19.171 -2.116 1.00 24.13 C ATOM 783 CD1 TYR A 53 -6.530 18.544 -1.947 1.00 0.20 C ATOM 784 CD2 TYR A 53 -5.074 20.360 -1.434 1.00 40.43 C ATOM 785 CE1 TYR A 53 -7.501 19.086 -1.128 1.00 34.55 C ATOM 786 CE2 TYR A 53 -6.039 20.908 -0.612 1.00 11.24 C ATOM 787 CZ TYR A 53 -7.251 20.267 -0.462 1.00 13.41 C ATOM 788 OH TYR A 53 -8.216 20.809 0.357 1.00 41.05 O ATOM 0 H TYR A 53 -4.240 16.250 -2.173 1.00 25.43 H new ATOM 0 HA TYR A 53 -5.768 17.592 -4.164 1.00 61.43 H new ATOM 0 HB2 TYR A 53 -3.403 18.244 -2.402 1.00 44.24 H new ATOM 0 HB3 TYR A 53 -3.864 19.351 -3.680 1.00 44.24 H new ATOM 0 HD1 TYR A 53 -6.729 17.617 -2.465 1.00 0.20 H new ATOM 0 HD2 TYR A 53 -4.126 20.864 -1.549 1.00 40.43 H new ATOM 0 HE1 TYR A 53 -8.452 18.587 -1.010 1.00 34.55 H new ATOM 0 HE2 TYR A 53 -5.846 21.833 -0.090 1.00 11.24 H new ATOM 0 HH TYR A 53 -8.765 20.091 0.736 1.00 41.05 H new ATOM 798 N ALA A 54 -2.689 16.681 -4.928 1.00 22.13 N ATOM 799 CA ALA A 54 -1.769 16.476 -6.040 1.00 74.21 C ATOM 800 C ALA A 54 -2.504 15.953 -7.270 1.00 42.31 C ATOM 801 O ALA A 54 -2.257 16.401 -8.390 1.00 61.33 O ATOM 802 CB ALA A 54 -0.660 15.515 -5.638 1.00 11.33 C ATOM 0 H ALA A 54 -2.340 16.356 -4.026 1.00 22.13 H new ATOM 0 HA ALA A 54 -1.326 17.439 -6.295 1.00 74.21 H new ATOM 0 HB1 ALA A 54 0.019 15.371 -6.478 1.00 11.33 H new ATOM 0 HB2 ALA A 54 -0.109 15.928 -4.793 1.00 11.33 H new ATOM 0 HB3 ALA A 54 -1.094 14.556 -5.355 1.00 11.33 H new ATOM 808 N LYS A 55 -3.407 15.003 -7.055 1.00 13.22 N ATOM 809 CA LYS A 55 -4.179 14.419 -8.145 1.00 41.24 C ATOM 810 C LYS A 55 -5.340 15.327 -8.537 1.00 52.24 C ATOM 811 O LYS A 55 -5.605 15.538 -9.721 1.00 70.02 O ATOM 812 CB LYS A 55 -4.709 13.041 -7.742 1.00 3.30 C ATOM 813 CG LYS A 55 -3.650 12.136 -7.138 1.00 23.53 C ATOM 814 CD LYS A 55 -4.273 11.019 -6.318 1.00 32.44 C ATOM 815 CE LYS A 55 -5.164 10.130 -7.172 1.00 53.31 C ATOM 816 NZ LYS A 55 -4.461 8.891 -7.604 1.00 31.31 N ATOM 0 H LYS A 55 -3.623 14.621 -6.134 1.00 13.22 H new ATOM 0 HA LYS A 55 -3.519 14.310 -9.006 1.00 41.24 H new ATOM 0 HB2 LYS A 55 -5.519 13.168 -7.024 1.00 3.30 H new ATOM 0 HB3 LYS A 55 -5.134 12.554 -8.619 1.00 3.30 H new ATOM 0 HG2 LYS A 55 -3.039 11.708 -7.933 1.00 23.53 H new ATOM 0 HG3 LYS A 55 -2.984 12.724 -6.507 1.00 23.53 H new ATOM 0 HD2 LYS A 55 -3.486 10.417 -5.863 1.00 32.44 H new ATOM 0 HD3 LYS A 55 -4.858 11.447 -5.504 1.00 32.44 H new ATOM 0 HE2 LYS A 55 -6.058 9.863 -6.608 1.00 53.31 H new ATOM 0 HE3 LYS A 55 -5.495 10.684 -8.050 1.00 53.31 H new ATOM 0 HZ1 LYS A 55 -5.102 8.312 -8.184 1.00 31.31 H new ATOM 0 HZ2 LYS A 55 -3.622 9.145 -8.164 1.00 31.31 H new ATOM 0 HZ3 LYS A 55 -4.167 8.349 -6.767 1.00 31.31 H new ATOM 830 N LYS A 56 -6.030 15.864 -7.536 1.00 64.14 N ATOM 831 CA LYS A 56 -7.161 16.752 -7.776 1.00 31.15 C ATOM 832 C LYS A 56 -6.765 17.901 -8.697 1.00 75.05 C ATOM 833 O LYS A 56 -7.593 18.424 -9.444 1.00 11.32 O ATOM 834 CB LYS A 56 -7.690 17.306 -6.451 1.00 21.04 C ATOM 835 CG LYS A 56 -8.394 16.267 -5.595 1.00 4.24 C ATOM 836 CD LYS A 56 -9.779 16.733 -5.179 1.00 72.54 C ATOM 837 CE LYS A 56 -9.719 18.042 -4.408 1.00 54.23 C ATOM 838 NZ LYS A 56 -11.057 18.443 -3.891 1.00 72.03 N ATOM 0 H LYS A 56 -5.825 15.699 -6.550 1.00 64.14 H new ATOM 0 HA LYS A 56 -7.947 16.175 -8.262 1.00 31.15 H new ATOM 0 HB2 LYS A 56 -6.859 17.728 -5.886 1.00 21.04 H new ATOM 0 HB3 LYS A 56 -8.381 18.123 -6.658 1.00 21.04 H new ATOM 0 HG2 LYS A 56 -8.475 15.332 -6.149 1.00 4.24 H new ATOM 0 HG3 LYS A 56 -7.797 16.060 -4.707 1.00 4.24 H new ATOM 0 HD2 LYS A 56 -10.402 16.859 -6.064 1.00 72.54 H new ATOM 0 HD3 LYS A 56 -10.251 15.968 -4.563 1.00 72.54 H new ATOM 0 HE2 LYS A 56 -9.023 17.941 -3.575 1.00 54.23 H new ATOM 0 HE3 LYS A 56 -9.330 18.827 -5.056 1.00 54.23 H new ATOM 0 HZ1 LYS A 56 -10.974 19.340 -3.371 1.00 72.03 H new ATOM 0 HZ2 LYS A 56 -11.715 18.564 -4.687 1.00 72.03 H new ATOM 0 HZ3 LYS A 56 -11.418 17.705 -3.253 1.00 72.03 H new ATOM 852 N PHE A 57 -5.495 18.288 -8.642 1.00 34.13 N ATOM 853 CA PHE A 57 -4.990 19.375 -9.472 1.00 72.23 C ATOM 854 C PHE A 57 -4.015 18.849 -10.522 1.00 2.45 C ATOM 855 O PHE A 57 -2.805 18.781 -10.302 1.00 52.45 O ATOM 856 CB PHE A 57 -4.303 20.431 -8.605 1.00 11.25 C ATOM 857 CG PHE A 57 -5.241 21.482 -8.084 1.00 54.20 C ATOM 858 CD1 PHE A 57 -5.524 22.611 -8.836 1.00 74.11 C ATOM 859 CD2 PHE A 57 -5.840 21.342 -6.842 1.00 61.33 C ATOM 860 CE1 PHE A 57 -6.388 23.580 -8.360 1.00 63.12 C ATOM 861 CE2 PHE A 57 -6.704 22.307 -6.361 1.00 73.05 C ATOM 862 CZ PHE A 57 -6.978 23.428 -7.121 1.00 24.03 C ATOM 0 H PHE A 57 -4.797 17.865 -8.031 1.00 34.13 H new ATOM 0 HA PHE A 57 -5.837 19.832 -9.984 1.00 72.23 H new ATOM 0 HB2 PHE A 57 -3.818 19.938 -7.762 1.00 11.25 H new ATOM 0 HB3 PHE A 57 -3.518 20.913 -9.187 1.00 11.25 H new ATOM 0 HD1 PHE A 57 -5.064 22.736 -9.805 1.00 74.11 H new ATOM 0 HD2 PHE A 57 -5.629 20.468 -6.243 1.00 61.33 H new ATOM 0 HE1 PHE A 57 -6.601 24.455 -8.957 1.00 63.12 H new ATOM 0 HE2 PHE A 57 -7.165 22.185 -5.392 1.00 73.05 H new ATOM 0 HZ PHE A 57 -7.652 24.184 -6.747 1.00 24.03 H new ATOM 872 N PRO A 58 -4.552 18.468 -11.690 1.00 32.33 N ATOM 873 CA PRO A 58 -3.748 17.941 -12.797 1.00 11.44 C ATOM 874 C PRO A 58 -2.872 19.013 -13.437 1.00 73.34 C ATOM 875 O PRO A 58 -2.056 18.721 -14.310 1.00 62.41 O ATOM 876 CB PRO A 58 -4.798 17.443 -13.792 1.00 54.14 C ATOM 877 CG PRO A 58 -6.013 18.255 -13.500 1.00 20.43 C ATOM 878 CD PRO A 58 -5.986 18.521 -12.020 1.00 52.11 C ATOM 0 HA PRO A 58 -3.055 17.168 -12.466 1.00 11.44 H new ATOM 0 HB2 PRO A 58 -4.466 17.583 -14.821 1.00 54.14 H new ATOM 0 HB3 PRO A 58 -4.993 16.378 -13.662 1.00 54.14 H new ATOM 0 HG2 PRO A 58 -6.004 19.187 -14.065 1.00 20.43 H new ATOM 0 HG3 PRO A 58 -6.919 17.719 -13.784 1.00 20.43 H new ATOM 0 HD2 PRO A 58 -6.418 19.492 -11.778 1.00 52.11 H new ATOM 0 HD3 PRO A 58 -6.554 17.773 -11.467 1.00 52.11 H new ATOM 886 N GLY A 59 -3.048 20.255 -12.998 1.00 2.32 N ATOM 887 CA GLY A 59 -2.266 21.351 -13.540 1.00 1.23 C ATOM 888 C GLY A 59 -0.988 21.592 -12.761 1.00 62.02 C ATOM 889 O GLY A 59 -0.381 22.657 -12.866 1.00 1.44 O ATOM 0 H GLY A 59 -3.718 20.522 -12.277 1.00 2.32 H new ATOM 0 HA2 GLY A 59 -2.019 21.138 -14.580 1.00 1.23 H new ATOM 0 HA3 GLY A 59 -2.868 22.260 -13.535 1.00 1.23 H new ATOM 893 N ALA A 60 -0.579 20.600 -11.977 1.00 44.01 N ATOM 894 CA ALA A 60 0.636 20.709 -11.178 1.00 54.00 C ATOM 895 C ALA A 60 1.333 19.359 -11.053 1.00 23.14 C ATOM 896 O ALA A 60 0.764 18.321 -11.390 1.00 31.24 O ATOM 897 CB ALA A 60 0.312 21.268 -9.800 1.00 44.24 C ATOM 0 H ALA A 60 -1.071 19.712 -11.878 1.00 44.01 H new ATOM 0 HA ALA A 60 1.316 21.394 -11.685 1.00 54.00 H new ATOM 0 HB1 ALA A 60 1.228 21.344 -9.214 1.00 44.24 H new ATOM 0 HB2 ALA A 60 -0.135 22.256 -9.904 1.00 44.24 H new ATOM 0 HB3 ALA A 60 -0.389 20.604 -9.294 1.00 44.24 H new ATOM 903 N VAL A 61 2.570 19.380 -10.566 1.00 43.14 N ATOM 904 CA VAL A 61 3.346 18.157 -10.396 1.00 51.33 C ATOM 905 C VAL A 61 3.345 17.704 -8.941 1.00 32.13 C ATOM 906 O VAL A 61 3.357 16.507 -8.652 1.00 13.10 O ATOM 907 CB VAL A 61 4.802 18.347 -10.862 1.00 73.54 C ATOM 908 CG1 VAL A 61 4.842 18.852 -12.297 1.00 31.15 C ATOM 909 CG2 VAL A 61 5.539 19.298 -9.932 1.00 61.13 C ATOM 0 H VAL A 61 3.056 20.231 -10.282 1.00 43.14 H new ATOM 0 HA VAL A 61 2.872 17.393 -11.012 1.00 51.33 H new ATOM 0 HB VAL A 61 5.305 17.381 -10.829 1.00 73.54 H new ATOM 0 HG11 VAL A 61 5.879 18.980 -12.609 1.00 31.15 H new ATOM 0 HG12 VAL A 61 4.353 18.130 -12.951 1.00 31.15 H new ATOM 0 HG13 VAL A 61 4.323 19.808 -12.361 1.00 31.15 H new ATOM 0 HG21 VAL A 61 6.566 19.421 -10.276 1.00 61.13 H new ATOM 0 HG22 VAL A 61 5.039 20.266 -9.931 1.00 61.13 H new ATOM 0 HG23 VAL A 61 5.541 18.890 -8.921 1.00 61.13 H new ATOM 919 N PHE A 62 3.330 18.668 -8.026 1.00 40.24 N ATOM 920 CA PHE A 62 3.328 18.369 -6.599 1.00 73.53 C ATOM 921 C PHE A 62 4.517 17.489 -6.226 1.00 65.13 C ATOM 922 O PHE A 62 5.112 16.833 -7.083 1.00 31.22 O ATOM 923 CB PHE A 62 2.022 17.675 -6.204 1.00 64.33 C ATOM 924 CG PHE A 62 0.813 18.558 -6.327 1.00 25.53 C ATOM 925 CD1 PHE A 62 0.176 18.717 -7.547 1.00 5.12 C ATOM 926 CD2 PHE A 62 0.314 19.227 -5.222 1.00 14.44 C ATOM 927 CE1 PHE A 62 -0.936 19.530 -7.662 1.00 64.52 C ATOM 928 CE2 PHE A 62 -0.798 20.041 -5.331 1.00 35.12 C ATOM 929 CZ PHE A 62 -1.424 20.191 -6.553 1.00 15.23 C ATOM 0 H PHE A 62 3.319 19.664 -8.248 1.00 40.24 H new ATOM 0 HA PHE A 62 3.411 19.310 -6.056 1.00 73.53 H new ATOM 0 HB2 PHE A 62 1.884 16.794 -6.831 1.00 64.33 H new ATOM 0 HB3 PHE A 62 2.103 17.324 -5.175 1.00 64.33 H new ATOM 0 HD1 PHE A 62 0.552 18.200 -8.417 1.00 5.12 H new ATOM 0 HD2 PHE A 62 0.799 19.111 -4.264 1.00 14.44 H new ATOM 0 HE1 PHE A 62 -1.423 19.648 -8.619 1.00 64.52 H new ATOM 0 HE2 PHE A 62 -1.177 20.559 -4.462 1.00 35.12 H new ATOM 0 HZ PHE A 62 -2.294 20.825 -6.641 1.00 15.23 H new ATOM 939 N LEU A 63 4.860 17.481 -4.943 1.00 31.32 N ATOM 940 CA LEU A 63 5.979 16.682 -4.455 1.00 2.43 C ATOM 941 C LEU A 63 6.402 17.133 -3.060 1.00 42.12 C ATOM 942 O LEU A 63 6.249 18.300 -2.700 1.00 1.32 O ATOM 943 CB LEU A 63 7.163 16.786 -5.418 1.00 23.14 C ATOM 944 CG LEU A 63 8.551 16.630 -4.794 1.00 72.14 C ATOM 945 CD1 LEU A 63 9.095 15.232 -5.046 1.00 50.22 C ATOM 946 CD2 LEU A 63 9.503 17.682 -5.343 1.00 64.03 C ATOM 0 H LEU A 63 4.380 18.019 -4.222 1.00 31.32 H new ATOM 0 HA LEU A 63 5.655 15.643 -4.398 1.00 2.43 H new ATOM 0 HB2 LEU A 63 7.046 16.025 -6.190 1.00 23.14 H new ATOM 0 HB3 LEU A 63 7.117 17.755 -5.916 1.00 23.14 H new ATOM 0 HG LEU A 63 8.463 16.775 -3.717 1.00 72.14 H new ATOM 0 HD11 LEU A 63 10.083 15.139 -4.595 1.00 50.22 H new ATOM 0 HD12 LEU A 63 8.424 14.495 -4.604 1.00 50.22 H new ATOM 0 HD13 LEU A 63 9.168 15.058 -6.120 1.00 50.22 H new ATOM 0 HD21 LEU A 63 10.486 17.556 -4.888 1.00 64.03 H new ATOM 0 HD22 LEU A 63 9.586 17.569 -6.424 1.00 64.03 H new ATOM 0 HD23 LEU A 63 9.120 18.676 -5.111 1.00 64.03 H new ATOM 958 N LYS A 64 6.937 16.200 -2.280 1.00 2.44 N ATOM 959 CA LYS A 64 7.386 16.501 -0.925 1.00 65.24 C ATOM 960 C LYS A 64 8.838 16.075 -0.727 1.00 13.43 C ATOM 961 O LYS A 64 9.205 14.935 -1.011 1.00 4.32 O ATOM 962 CB LYS A 64 6.493 15.797 0.098 1.00 12.03 C ATOM 963 CG LYS A 64 7.267 15.072 1.185 1.00 64.40 C ATOM 964 CD LYS A 64 6.344 14.276 2.091 1.00 34.55 C ATOM 965 CE LYS A 64 5.247 13.581 1.298 1.00 10.35 C ATOM 966 NZ LYS A 64 4.645 12.451 2.058 1.00 74.54 N ATOM 0 H LYS A 64 7.070 15.229 -2.562 1.00 2.44 H new ATOM 0 HA LYS A 64 7.318 17.579 -0.777 1.00 65.24 H new ATOM 0 HB2 LYS A 64 5.836 16.533 0.561 1.00 12.03 H new ATOM 0 HB3 LYS A 64 5.855 15.081 -0.421 1.00 12.03 H new ATOM 0 HG2 LYS A 64 7.996 14.403 0.729 1.00 64.40 H new ATOM 0 HG3 LYS A 64 7.826 15.795 1.779 1.00 64.40 H new ATOM 0 HD2 LYS A 64 6.923 13.534 2.640 1.00 34.55 H new ATOM 0 HD3 LYS A 64 5.895 14.941 2.829 1.00 34.55 H new ATOM 0 HE2 LYS A 64 4.470 14.302 1.043 1.00 10.35 H new ATOM 0 HE3 LYS A 64 5.657 13.210 0.359 1.00 10.35 H new ATOM 0 HZ1 LYS A 64 3.902 12.003 1.484 1.00 74.54 H new ATOM 0 HZ2 LYS A 64 5.381 11.750 2.279 1.00 74.54 H new ATOM 0 HZ3 LYS A 64 4.231 12.809 2.942 1.00 74.54 H new ATOM 980 N VAL A 65 9.658 16.999 -0.236 1.00 25.42 N ATOM 981 CA VAL A 65 11.069 16.718 0.004 1.00 41.15 C ATOM 982 C VAL A 65 11.459 17.049 1.440 1.00 62.52 C ATOM 983 O VAL A 65 10.707 17.700 2.164 1.00 14.40 O ATOM 984 CB VAL A 65 11.971 17.515 -0.958 1.00 32.11 C ATOM 985 CG1 VAL A 65 11.213 17.874 -2.227 1.00 71.41 C ATOM 986 CG2 VAL A 65 12.504 18.765 -0.274 1.00 64.15 C ATOM 0 H VAL A 65 9.370 17.948 0.003 1.00 25.42 H new ATOM 0 HA VAL A 65 11.214 15.652 -0.172 1.00 41.15 H new ATOM 0 HB VAL A 65 12.820 16.890 -1.235 1.00 32.11 H new ATOM 0 HG11 VAL A 65 11.866 18.437 -2.894 1.00 71.41 H new ATOM 0 HG12 VAL A 65 10.884 16.962 -2.725 1.00 71.41 H new ATOM 0 HG13 VAL A 65 10.344 18.481 -1.972 1.00 71.41 H new ATOM 0 HG21 VAL A 65 13.139 19.316 -0.967 1.00 64.15 H new ATOM 0 HG22 VAL A 65 11.670 19.395 0.033 1.00 64.15 H new ATOM 0 HG23 VAL A 65 13.086 18.480 0.603 1.00 64.15 H new ATOM 996 N ASP A 66 12.640 16.595 1.845 1.00 0.04 N ATOM 997 CA ASP A 66 13.132 16.844 3.196 1.00 71.44 C ATOM 998 C ASP A 66 14.348 17.764 3.170 1.00 63.11 C ATOM 999 O ASP A 66 15.347 17.472 2.512 1.00 22.34 O ATOM 1000 CB ASP A 66 13.489 15.524 3.882 1.00 3.51 C ATOM 1001 CG ASP A 66 13.610 15.669 5.386 1.00 24.14 C ATOM 1002 OD1 ASP A 66 13.808 16.808 5.859 1.00 23.24 O ATOM 1003 OD2 ASP A 66 13.506 14.643 6.091 1.00 43.13 O ATOM 0 H ASP A 66 13.274 16.053 1.258 1.00 0.04 H new ATOM 0 HA ASP A 66 12.340 17.335 3.761 1.00 71.44 H new ATOM 0 HB2 ASP A 66 12.726 14.780 3.652 1.00 3.51 H new ATOM 0 HB3 ASP A 66 14.430 15.151 3.479 1.00 3.51 H new ATOM 1008 N VAL A 67 14.256 18.878 3.889 1.00 4.02 N ATOM 1009 CA VAL A 67 15.349 19.842 3.949 1.00 20.41 C ATOM 1010 C VAL A 67 16.402 19.416 4.966 1.00 63.43 C ATOM 1011 O VAL A 67 17.043 20.254 5.600 1.00 50.24 O ATOM 1012 CB VAL A 67 14.838 21.248 4.315 1.00 72.24 C ATOM 1013 CG1 VAL A 67 13.691 21.653 3.401 1.00 10.33 C ATOM 1014 CG2 VAL A 67 14.411 21.296 5.774 1.00 50.51 C ATOM 0 H VAL A 67 13.436 19.136 4.438 1.00 4.02 H new ATOM 0 HA VAL A 67 15.798 19.873 2.956 1.00 20.41 H new ATOM 0 HB VAL A 67 15.651 21.960 4.175 1.00 72.24 H new ATOM 0 HG11 VAL A 67 13.342 22.649 3.674 1.00 10.33 H new ATOM 0 HG12 VAL A 67 14.035 21.660 2.367 1.00 10.33 H new ATOM 0 HG13 VAL A 67 12.873 20.941 3.507 1.00 10.33 H new ATOM 0 HG21 VAL A 67 14.053 22.297 6.016 1.00 50.51 H new ATOM 0 HG22 VAL A 67 13.612 20.574 5.943 1.00 50.51 H new ATOM 0 HG23 VAL A 67 15.262 21.052 6.410 1.00 50.51 H new ATOM 1024 N ASP A 68 16.577 18.107 5.116 1.00 55.24 N ATOM 1025 CA ASP A 68 17.554 17.569 6.054 1.00 31.35 C ATOM 1026 C ASP A 68 18.529 16.634 5.347 1.00 64.44 C ATOM 1027 O ASP A 68 19.623 16.369 5.846 1.00 54.13 O ATOM 1028 CB ASP A 68 16.847 16.825 7.189 1.00 61.13 C ATOM 1029 CG ASP A 68 17.702 16.725 8.437 1.00 62.13 C ATOM 1030 OD1 ASP A 68 18.479 17.666 8.700 1.00 44.13 O ATOM 1031 OD2 ASP A 68 17.595 15.705 9.150 1.00 52.12 O ATOM 0 H ASP A 68 16.054 17.400 4.599 1.00 55.24 H new ATOM 0 HA ASP A 68 18.117 18.403 6.472 1.00 31.35 H new ATOM 0 HB2 ASP A 68 15.916 17.337 7.430 1.00 61.13 H new ATOM 0 HB3 ASP A 68 16.582 15.823 6.853 1.00 61.13 H new ATOM 1036 N GLU A 69 18.125 16.136 4.182 1.00 1.10 N ATOM 1037 CA GLU A 69 18.964 15.229 3.407 1.00 34.13 C ATOM 1038 C GLU A 69 19.395 15.875 2.094 1.00 61.22 C ATOM 1039 O GLU A 69 20.495 15.627 1.599 1.00 63.54 O ATOM 1040 CB GLU A 69 18.216 13.924 3.125 1.00 23.22 C ATOM 1041 CG GLU A 69 16.902 14.122 2.389 1.00 61.12 C ATOM 1042 CD GLU A 69 15.980 12.924 2.509 1.00 13.40 C ATOM 1043 OE1 GLU A 69 16.466 11.784 2.358 1.00 42.15 O ATOM 1044 OE2 GLU A 69 14.772 13.127 2.754 1.00 3.02 O ATOM 0 H GLU A 69 17.223 16.345 3.755 1.00 1.10 H new ATOM 0 HA GLU A 69 19.856 15.009 3.993 1.00 34.13 H new ATOM 0 HB2 GLU A 69 18.857 13.268 2.536 1.00 23.22 H new ATOM 0 HB3 GLU A 69 18.021 13.416 4.069 1.00 23.22 H new ATOM 0 HG2 GLU A 69 16.398 15.004 2.784 1.00 61.12 H new ATOM 0 HG3 GLU A 69 17.105 14.315 1.336 1.00 61.12 H new ATOM 1051 N LEU A 70 18.521 16.704 1.534 1.00 2.23 N ATOM 1052 CA LEU A 70 18.810 17.386 0.278 1.00 43.43 C ATOM 1053 C LEU A 70 18.534 18.882 0.394 1.00 74.12 C ATOM 1054 O LEU A 70 18.280 19.557 -0.604 1.00 73.01 O ATOM 1055 CB LEU A 70 17.974 16.788 -0.855 1.00 33.15 C ATOM 1056 CG LEU A 70 16.523 17.264 -0.941 1.00 62.22 C ATOM 1057 CD1 LEU A 70 15.989 17.093 -2.355 1.00 33.54 C ATOM 1058 CD2 LEU A 70 15.654 16.510 0.055 1.00 60.34 C ATOM 0 H LEU A 70 17.606 16.920 1.930 1.00 2.23 H new ATOM 0 HA LEU A 70 19.867 17.247 0.053 1.00 43.43 H new ATOM 0 HB2 LEU A 70 18.466 17.014 -1.801 1.00 33.15 H new ATOM 0 HB3 LEU A 70 17.974 15.703 -0.746 1.00 33.15 H new ATOM 0 HG LEU A 70 16.492 18.324 -0.689 1.00 62.22 H new ATOM 0 HD11 LEU A 70 14.955 17.437 -2.398 1.00 33.54 H new ATOM 0 HD12 LEU A 70 16.595 17.679 -3.046 1.00 33.54 H new ATOM 0 HD13 LEU A 70 16.033 16.041 -2.636 1.00 33.54 H new ATOM 0 HD21 LEU A 70 14.625 16.862 -0.020 1.00 60.34 H new ATOM 0 HD22 LEU A 70 15.690 15.443 -0.166 1.00 60.34 H new ATOM 0 HD23 LEU A 70 16.024 16.684 1.065 1.00 60.34 H new ATOM 1070 N LYS A 71 18.587 19.395 1.618 1.00 35.34 N ATOM 1071 CA LYS A 71 18.345 20.811 1.866 1.00 4.24 C ATOM 1072 C LYS A 71 18.843 21.660 0.701 1.00 73.03 C ATOM 1073 O LYS A 71 18.259 22.696 0.383 1.00 62.54 O ATOM 1074 CB LYS A 71 19.036 21.248 3.160 1.00 12.34 C ATOM 1075 CG LYS A 71 20.057 20.248 3.673 1.00 65.14 C ATOM 1076 CD LYS A 71 21.289 20.943 4.229 1.00 53.34 C ATOM 1077 CE LYS A 71 22.322 21.200 3.142 1.00 21.05 C ATOM 1078 NZ LYS A 71 23.144 22.407 3.433 1.00 52.51 N ATOM 0 H LYS A 71 18.796 18.851 2.455 1.00 35.34 H new ATOM 0 HA LYS A 71 17.270 20.958 1.967 1.00 4.24 H new ATOM 0 HB2 LYS A 71 19.530 22.205 2.993 1.00 12.34 H new ATOM 0 HB3 LYS A 71 18.280 21.409 3.929 1.00 12.34 H new ATOM 0 HG2 LYS A 71 19.605 19.631 4.450 1.00 65.14 H new ATOM 0 HG3 LYS A 71 20.350 19.579 2.864 1.00 65.14 H new ATOM 0 HD2 LYS A 71 20.999 21.888 4.688 1.00 53.34 H new ATOM 0 HD3 LYS A 71 21.731 20.330 5.015 1.00 53.34 H new ATOM 0 HE2 LYS A 71 22.973 20.331 3.047 1.00 21.05 H new ATOM 0 HE3 LYS A 71 21.818 21.326 2.184 1.00 21.05 H new ATOM 0 HZ1 LYS A 71 23.836 22.548 2.669 1.00 52.51 H new ATOM 0 HZ2 LYS A 71 22.526 23.241 3.498 1.00 52.51 H new ATOM 0 HZ3 LYS A 71 23.646 22.276 4.335 1.00 52.51 H new ATOM 1092 N GLU A 72 19.923 21.213 0.067 1.00 12.15 N ATOM 1093 CA GLU A 72 20.497 21.933 -1.063 1.00 71.45 C ATOM 1094 C GLU A 72 19.401 22.530 -1.941 1.00 52.11 C ATOM 1095 O GLU A 72 19.617 23.526 -2.632 1.00 12.35 O ATOM 1096 CB GLU A 72 21.379 21.000 -1.895 1.00 65.42 C ATOM 1097 CG GLU A 72 20.596 19.967 -2.688 1.00 30.22 C ATOM 1098 CD GLU A 72 21.220 18.586 -2.623 1.00 55.15 C ATOM 1099 OE1 GLU A 72 21.361 18.051 -1.504 1.00 11.44 O ATOM 1100 OE2 GLU A 72 21.566 18.041 -3.692 1.00 21.42 O ATOM 0 H GLU A 72 20.417 20.356 0.317 1.00 12.15 H new ATOM 0 HA GLU A 72 21.108 22.746 -0.671 1.00 71.45 H new ATOM 0 HB2 GLU A 72 21.977 21.597 -2.584 1.00 65.42 H new ATOM 0 HB3 GLU A 72 22.075 20.486 -1.232 1.00 65.42 H new ATOM 0 HG2 GLU A 72 19.576 19.919 -2.307 1.00 30.22 H new ATOM 0 HG3 GLU A 72 20.533 20.285 -3.729 1.00 30.22 H new ATOM 1107 N VAL A 73 18.224 21.914 -1.909 1.00 74.45 N ATOM 1108 CA VAL A 73 17.093 22.384 -2.701 1.00 31.31 C ATOM 1109 C VAL A 73 16.366 23.524 -1.997 1.00 74.10 C ATOM 1110 O VAL A 73 15.981 24.510 -2.625 1.00 75.52 O ATOM 1111 CB VAL A 73 16.092 21.247 -2.981 1.00 24.41 C ATOM 1112 CG1 VAL A 73 14.943 21.747 -3.842 1.00 72.33 C ATOM 1113 CG2 VAL A 73 16.794 20.071 -3.644 1.00 43.32 C ATOM 0 H VAL A 73 18.028 21.088 -1.343 1.00 74.45 H new ATOM 0 HA VAL A 73 17.497 22.743 -3.647 1.00 31.31 H new ATOM 0 HB VAL A 73 15.680 20.906 -2.031 1.00 24.41 H new ATOM 0 HG11 VAL A 73 14.246 20.930 -4.029 1.00 72.33 H new ATOM 0 HG12 VAL A 73 14.425 22.554 -3.324 1.00 72.33 H new ATOM 0 HG13 VAL A 73 15.333 22.116 -4.791 1.00 72.33 H new ATOM 0 HG21 VAL A 73 16.072 19.277 -3.835 1.00 43.32 H new ATOM 0 HG22 VAL A 73 17.235 20.395 -4.587 1.00 43.32 H new ATOM 0 HG23 VAL A 73 17.579 19.698 -2.986 1.00 43.32 H new ATOM 1123 N ALA A 74 16.181 23.382 -0.688 1.00 44.55 N ATOM 1124 CA ALA A 74 15.503 24.402 0.102 1.00 74.20 C ATOM 1125 C ALA A 74 16.372 25.644 0.259 1.00 44.40 C ATOM 1126 O ALA A 74 15.866 26.742 0.487 1.00 51.31 O ATOM 1127 CB ALA A 74 15.122 23.845 1.466 1.00 4.42 C ATOM 0 H ALA A 74 16.491 22.571 -0.153 1.00 44.55 H new ATOM 0 HA ALA A 74 14.595 24.692 -0.427 1.00 74.20 H new ATOM 0 HB1 ALA A 74 14.616 24.617 2.046 1.00 4.42 H new ATOM 0 HB2 ALA A 74 14.455 22.992 1.338 1.00 4.42 H new ATOM 0 HB3 ALA A 74 16.021 23.526 1.993 1.00 4.42 H new ATOM 1133 N GLU A 75 17.684 25.463 0.136 1.00 34.32 N ATOM 1134 CA GLU A 75 18.623 26.570 0.266 1.00 1.34 C ATOM 1135 C GLU A 75 18.578 27.469 -0.966 1.00 4.42 C ATOM 1136 O GLU A 75 18.998 28.626 -0.920 1.00 71.05 O ATOM 1137 CB GLU A 75 20.044 26.041 0.474 1.00 12.41 C ATOM 1138 CG GLU A 75 20.150 24.999 1.574 1.00 4.04 C ATOM 1139 CD GLU A 75 21.077 25.427 2.696 1.00 15.41 C ATOM 1140 OE1 GLU A 75 22.263 25.698 2.414 1.00 13.53 O ATOM 1141 OE2 GLU A 75 20.616 25.491 3.855 1.00 51.41 O ATOM 0 H GLU A 75 18.120 24.560 -0.053 1.00 34.32 H new ATOM 0 HA GLU A 75 18.332 27.160 1.135 1.00 1.34 H new ATOM 0 HB2 GLU A 75 20.402 25.609 -0.460 1.00 12.41 H new ATOM 0 HB3 GLU A 75 20.703 26.876 0.712 1.00 12.41 H new ATOM 0 HG2 GLU A 75 19.158 24.804 1.982 1.00 4.04 H new ATOM 0 HG3 GLU A 75 20.509 24.062 1.148 1.00 4.04 H new ATOM 1148 N LYS A 76 18.067 26.929 -2.067 1.00 1.12 N ATOM 1149 CA LYS A 76 17.966 27.680 -3.312 1.00 52.33 C ATOM 1150 C LYS A 76 16.673 28.488 -3.357 1.00 12.32 C ATOM 1151 O LYS A 76 16.623 29.566 -3.950 1.00 61.03 O ATOM 1152 CB LYS A 76 18.028 26.731 -4.511 1.00 31.10 C ATOM 1153 CG LYS A 76 16.662 26.302 -5.019 1.00 0.51 C ATOM 1154 CD LYS A 76 16.716 24.935 -5.679 1.00 23.23 C ATOM 1155 CE LYS A 76 16.420 25.022 -7.168 1.00 44.41 C ATOM 1156 NZ LYS A 76 16.247 23.676 -7.779 1.00 65.54 N ATOM 0 H LYS A 76 17.716 25.973 -2.122 1.00 1.12 H new ATOM 0 HA LYS A 76 18.808 28.371 -3.359 1.00 52.33 H new ATOM 0 HB2 LYS A 76 18.571 27.218 -5.321 1.00 31.10 H new ATOM 0 HB3 LYS A 76 18.598 25.844 -4.233 1.00 31.10 H new ATOM 0 HG2 LYS A 76 15.955 26.279 -4.189 1.00 0.51 H new ATOM 0 HG3 LYS A 76 16.291 27.037 -5.733 1.00 0.51 H new ATOM 0 HD2 LYS A 76 17.702 24.496 -5.528 1.00 23.23 H new ATOM 0 HD3 LYS A 76 15.995 24.271 -5.202 1.00 23.23 H new ATOM 0 HE2 LYS A 76 15.516 25.611 -7.325 1.00 44.41 H new ATOM 0 HE3 LYS A 76 17.233 25.547 -7.670 1.00 44.41 H new ATOM 0 HZ1 LYS A 76 16.702 23.658 -8.714 1.00 65.54 H new ATOM 0 HZ2 LYS A 76 16.685 22.958 -7.167 1.00 65.54 H new ATOM 0 HZ3 LYS A 76 15.233 23.470 -7.883 1.00 65.54 H new ATOM 1170 N TYR A 77 15.630 27.962 -2.725 1.00 32.01 N ATOM 1171 CA TYR A 77 14.336 28.634 -2.693 1.00 43.24 C ATOM 1172 C TYR A 77 14.195 29.484 -1.435 1.00 13.45 C ATOM 1173 O TYR A 77 13.320 30.346 -1.349 1.00 24.51 O ATOM 1174 CB TYR A 77 13.203 27.609 -2.760 1.00 23.22 C ATOM 1175 CG TYR A 77 13.214 26.776 -4.022 1.00 34.24 C ATOM 1176 CD1 TYR A 77 13.588 27.330 -5.240 1.00 23.43 C ATOM 1177 CD2 TYR A 77 12.848 25.436 -3.996 1.00 60.31 C ATOM 1178 CE1 TYR A 77 13.599 26.573 -6.395 1.00 74.34 C ATOM 1179 CE2 TYR A 77 12.857 24.671 -5.146 1.00 71.15 C ATOM 1180 CZ TYR A 77 13.233 25.244 -6.344 1.00 33.14 C ATOM 1181 OH TYR A 77 13.241 24.486 -7.492 1.00 24.31 O ATOM 0 H TYR A 77 15.655 27.072 -2.228 1.00 32.01 H new ATOM 0 HA TYR A 77 14.274 29.290 -3.561 1.00 43.24 H new ATOM 0 HB2 TYR A 77 13.272 26.947 -1.897 1.00 23.22 H new ATOM 0 HB3 TYR A 77 12.248 28.130 -2.687 1.00 23.22 H new ATOM 0 HD1 TYR A 77 13.875 28.370 -5.284 1.00 23.43 H new ATOM 0 HD2 TYR A 77 12.551 24.985 -3.061 1.00 60.31 H new ATOM 0 HE1 TYR A 77 13.893 27.019 -7.334 1.00 74.34 H new ATOM 0 HE2 TYR A 77 12.571 23.630 -5.108 1.00 71.15 H new ATOM 0 HH TYR A 77 12.958 23.571 -7.282 1.00 24.31 H new ATOM 1191 N ASN A 78 15.063 29.235 -0.460 1.00 0.54 N ATOM 1192 CA ASN A 78 15.036 29.977 0.796 1.00 41.43 C ATOM 1193 C ASN A 78 13.798 29.620 1.613 1.00 61.24 C ATOM 1194 O ASN A 78 12.872 30.421 1.740 1.00 41.05 O ATOM 1195 CB ASN A 78 15.064 31.483 0.523 1.00 32.33 C ATOM 1196 CG ASN A 78 15.350 32.291 1.774 1.00 55.51 C ATOM 1197 OD1 ASN A 78 14.603 33.208 2.118 1.00 33.42 O ATOM 1198 ND2 ASN A 78 16.435 31.955 2.460 1.00 4.44 N ATOM 0 H ASN A 78 15.794 28.525 -0.515 1.00 0.54 H new ATOM 0 HA ASN A 78 15.920 29.702 1.371 1.00 41.43 H new ATOM 0 HB2 ASN A 78 15.824 31.700 -0.228 1.00 32.33 H new ATOM 0 HB3 ASN A 78 14.106 31.792 0.105 1.00 32.33 H new ATOM 0 HD21 ASN A 78 16.679 32.464 3.310 1.00 4.44 H new ATOM 0 HD22 ASN A 78 17.025 31.188 2.138 1.00 4.44 H new ATOM 1205 N VAL A 79 13.789 28.411 2.165 1.00 24.04 N ATOM 1206 CA VAL A 79 12.667 27.947 2.972 1.00 54.23 C ATOM 1207 C VAL A 79 12.973 28.067 4.460 1.00 34.14 C ATOM 1208 O VAL A 79 12.077 28.303 5.271 1.00 41.14 O ATOM 1209 CB VAL A 79 12.310 26.484 2.648 1.00 11.22 C ATOM 1210 CG1 VAL A 79 12.765 26.122 1.243 1.00 61.42 C ATOM 1211 CG2 VAL A 79 12.926 25.546 3.676 1.00 54.45 C ATOM 0 H VAL A 79 14.547 27.735 2.068 1.00 24.04 H new ATOM 0 HA VAL A 79 11.817 28.583 2.727 1.00 54.23 H new ATOM 0 HB VAL A 79 11.227 26.374 2.692 1.00 11.22 H new ATOM 0 HG11 VAL A 79 12.504 25.085 1.032 1.00 61.42 H new ATOM 0 HG12 VAL A 79 12.272 26.774 0.522 1.00 61.42 H new ATOM 0 HG13 VAL A 79 13.845 26.247 1.167 1.00 61.42 H new ATOM 0 HG21 VAL A 79 12.664 24.516 3.432 1.00 54.45 H new ATOM 0 HG22 VAL A 79 14.010 25.657 3.666 1.00 54.45 H new ATOM 0 HG23 VAL A 79 12.545 25.792 4.667 1.00 54.45 H new ATOM 1221 N GLU A 80 14.244 27.903 4.813 1.00 72.31 N ATOM 1222 CA GLU A 80 14.667 27.992 6.205 1.00 5.33 C ATOM 1223 C GLU A 80 14.538 26.641 6.902 1.00 75.35 C ATOM 1224 O GLU A 80 15.536 25.984 7.196 1.00 13.04 O ATOM 1225 CB GLU A 80 13.838 29.042 6.947 1.00 0.43 C ATOM 1226 CG GLU A 80 13.513 30.266 6.107 1.00 12.13 C ATOM 1227 CD GLU A 80 14.097 31.541 6.684 1.00 51.34 C ATOM 1228 OE1 GLU A 80 13.864 31.812 7.881 1.00 61.45 O ATOM 1229 OE2 GLU A 80 14.786 32.269 5.938 1.00 31.34 O ATOM 0 H GLU A 80 14.998 27.708 4.154 1.00 72.31 H new ATOM 0 HA GLU A 80 15.715 28.290 6.220 1.00 5.33 H new ATOM 0 HB2 GLU A 80 12.907 28.586 7.284 1.00 0.43 H new ATOM 0 HB3 GLU A 80 14.380 29.357 7.839 1.00 0.43 H new ATOM 0 HG2 GLU A 80 13.895 30.121 5.097 1.00 12.13 H new ATOM 0 HG3 GLU A 80 12.431 30.370 6.027 1.00 12.13 H new ATOM 1236 N ALA A 81 13.300 26.232 7.162 1.00 51.24 N ATOM 1237 CA ALA A 81 13.038 24.959 7.822 1.00 44.15 C ATOM 1238 C ALA A 81 11.573 24.842 8.227 1.00 21.30 C ATOM 1239 O ALA A 81 11.183 25.275 9.311 1.00 71.51 O ATOM 1240 CB ALA A 81 13.939 24.800 9.038 1.00 51.34 C ATOM 0 H ALA A 81 12.463 26.764 6.925 1.00 51.24 H new ATOM 0 HA ALA A 81 13.257 24.159 7.115 1.00 44.15 H new ATOM 0 HB1 ALA A 81 13.733 23.845 9.521 1.00 51.34 H new ATOM 0 HB2 ALA A 81 14.982 24.830 8.724 1.00 51.34 H new ATOM 0 HB3 ALA A 81 13.748 25.611 9.741 1.00 51.34 H new ATOM 1246 N MET A 82 10.766 24.254 7.349 1.00 3.43 N ATOM 1247 CA MET A 82 9.343 24.080 7.617 1.00 4.23 C ATOM 1248 C MET A 82 8.638 23.450 6.421 1.00 40.04 C ATOM 1249 O MET A 82 9.174 23.392 5.314 1.00 53.34 O ATOM 1250 CB MET A 82 8.698 25.425 7.955 1.00 53.55 C ATOM 1251 CG MET A 82 7.972 26.062 6.781 1.00 51.45 C ATOM 1252 SD MET A 82 8.970 27.305 5.938 1.00 4.44 S ATOM 1253 CE MET A 82 10.309 26.295 5.309 1.00 12.12 C ATOM 0 H MET A 82 11.073 23.890 6.447 1.00 3.43 H new ATOM 0 HA MET A 82 9.238 23.411 8.471 1.00 4.23 H new ATOM 0 HB2 MET A 82 7.994 25.285 8.775 1.00 53.55 H new ATOM 0 HB3 MET A 82 9.469 26.109 8.310 1.00 53.55 H new ATOM 0 HG2 MET A 82 7.689 25.286 6.070 1.00 51.45 H new ATOM 0 HG3 MET A 82 7.050 26.522 7.136 1.00 51.45 H new ATOM 0 HE1 MET A 82 10.702 26.740 4.395 1.00 12.12 H new ATOM 0 HE2 MET A 82 11.102 26.238 6.054 1.00 12.12 H new ATOM 0 HE3 MET A 82 9.939 25.292 5.095 1.00 12.12 H new ATOM 1263 N PRO A 83 7.408 22.966 6.645 1.00 34.44 N ATOM 1264 CA PRO A 83 6.603 22.331 5.597 1.00 11.32 C ATOM 1265 C PRO A 83 6.124 23.330 4.549 1.00 5.32 C ATOM 1266 O PRO A 83 4.997 23.243 4.062 1.00 51.24 O ATOM 1267 CB PRO A 83 5.413 21.751 6.366 1.00 52.43 C ATOM 1268 CG PRO A 83 5.302 22.597 7.587 1.00 1.20 C ATOM 1269 CD PRO A 83 6.707 23.000 7.940 1.00 0.42 C ATOM 0 HA PRO A 83 7.172 21.586 5.041 1.00 11.32 H new ATOM 0 HB2 PRO A 83 4.500 21.792 5.772 1.00 52.43 H new ATOM 0 HB3 PRO A 83 5.580 20.705 6.623 1.00 52.43 H new ATOM 0 HG2 PRO A 83 4.680 23.472 7.400 1.00 1.20 H new ATOM 0 HG3 PRO A 83 4.837 22.045 8.404 1.00 1.20 H new ATOM 0 HD2 PRO A 83 6.739 23.993 8.388 1.00 0.42 H new ATOM 0 HD3 PRO A 83 7.154 22.312 8.657 1.00 0.42 H new ATOM 1277 N THR A 84 6.989 24.280 4.206 1.00 52.34 N ATOM 1278 CA THR A 84 6.654 25.296 3.216 1.00 43.42 C ATOM 1279 C THR A 84 6.373 24.668 1.856 1.00 73.30 C ATOM 1280 O THR A 84 7.233 24.003 1.278 1.00 32.21 O ATOM 1281 CB THR A 84 7.787 26.330 3.066 1.00 31.44 C ATOM 1282 OG1 THR A 84 7.404 27.568 3.675 1.00 71.10 O ATOM 1283 CG2 THR A 84 8.119 26.561 1.600 1.00 74.41 C ATOM 0 H THR A 84 7.926 24.367 4.599 1.00 52.34 H new ATOM 0 HA THR A 84 5.756 25.800 3.573 1.00 43.42 H new ATOM 0 HB THR A 84 8.674 25.939 3.565 1.00 31.44 H new ATOM 0 HG1 THR A 84 7.569 27.523 4.640 1.00 71.10 H new ATOM 0 HG21 THR A 84 8.921 27.295 1.520 1.00 74.41 H new ATOM 0 HG22 THR A 84 8.439 25.623 1.147 1.00 74.41 H new ATOM 0 HG23 THR A 84 7.235 26.932 1.081 1.00 74.41 H new ATOM 1291 N PHE A 85 5.163 24.883 1.349 1.00 22.40 N ATOM 1292 CA PHE A 85 4.768 24.336 0.056 1.00 41.30 C ATOM 1293 C PHE A 85 5.327 25.181 -1.085 1.00 51.31 C ATOM 1294 O PHE A 85 4.588 25.620 -1.968 1.00 21.22 O ATOM 1295 CB PHE A 85 3.243 24.265 -0.047 1.00 22.41 C ATOM 1296 CG PHE A 85 2.704 22.864 0.006 1.00 30.24 C ATOM 1297 CD1 PHE A 85 3.027 21.945 -0.979 1.00 61.01 C ATOM 1298 CD2 PHE A 85 1.873 22.466 1.042 1.00 65.13 C ATOM 1299 CE1 PHE A 85 2.533 20.655 -0.933 1.00 31.10 C ATOM 1300 CE2 PHE A 85 1.377 21.177 1.093 1.00 13.33 C ATOM 1301 CZ PHE A 85 1.706 20.271 0.104 1.00 13.02 C ATOM 0 H PHE A 85 4.440 25.432 1.814 1.00 22.40 H new ATOM 0 HA PHE A 85 5.178 23.329 -0.026 1.00 41.30 H new ATOM 0 HB2 PHE A 85 2.804 24.846 0.765 1.00 22.41 H new ATOM 0 HB3 PHE A 85 2.928 24.732 -0.980 1.00 22.41 H new ATOM 0 HD1 PHE A 85 3.673 22.240 -1.793 1.00 61.01 H new ATOM 0 HD2 PHE A 85 1.611 23.171 1.817 1.00 65.13 H new ATOM 0 HE1 PHE A 85 2.793 19.948 -1.707 1.00 31.10 H new ATOM 0 HE2 PHE A 85 0.732 20.878 1.906 1.00 13.33 H new ATOM 0 HZ PHE A 85 1.317 19.264 0.142 1.00 13.02 H new ATOM 1311 N LEU A 86 6.636 25.406 -1.060 1.00 51.43 N ATOM 1312 CA LEU A 86 7.296 26.199 -2.092 1.00 15.41 C ATOM 1313 C LEU A 86 6.740 25.867 -3.473 1.00 32.11 C ATOM 1314 O LEU A 86 6.478 24.705 -3.785 1.00 44.03 O ATOM 1315 CB LEU A 86 8.805 25.954 -2.064 1.00 61.35 C ATOM 1316 CG LEU A 86 9.687 27.160 -2.388 1.00 24.04 C ATOM 1317 CD1 LEU A 86 8.990 28.082 -3.376 1.00 21.02 C ATOM 1318 CD2 LEU A 86 10.048 27.913 -1.115 1.00 53.34 C ATOM 0 H LEU A 86 7.261 25.051 -0.337 1.00 51.43 H new ATOM 0 HA LEU A 86 7.102 27.252 -1.886 1.00 15.41 H new ATOM 0 HB2 LEU A 86 9.075 25.587 -1.074 1.00 61.35 H new ATOM 0 HB3 LEU A 86 9.037 25.159 -2.772 1.00 61.35 H new ATOM 0 HG LEU A 86 10.608 26.800 -2.847 1.00 24.04 H new ATOM 0 HD11 LEU A 86 9.633 28.934 -3.594 1.00 21.02 H new ATOM 0 HD12 LEU A 86 8.783 27.538 -4.298 1.00 21.02 H new ATOM 0 HD13 LEU A 86 8.053 28.435 -2.945 1.00 21.02 H new ATOM 0 HD21 LEU A 86 10.676 28.768 -1.364 1.00 53.34 H new ATOM 0 HD22 LEU A 86 9.137 28.261 -0.628 1.00 53.34 H new ATOM 0 HD23 LEU A 86 10.589 27.249 -0.441 1.00 53.34 H new ATOM 1330 N PHE A 87 6.563 26.894 -4.297 1.00 44.41 N ATOM 1331 CA PHE A 87 6.040 26.711 -5.646 1.00 11.42 C ATOM 1332 C PHE A 87 7.070 27.131 -6.691 1.00 13.55 C ATOM 1333 O PHE A 87 7.845 28.063 -6.473 1.00 51.35 O ATOM 1334 CB PHE A 87 4.752 27.517 -5.830 1.00 3.33 C ATOM 1335 CG PHE A 87 3.583 26.962 -5.067 1.00 65.23 C ATOM 1336 CD1 PHE A 87 3.519 27.081 -3.688 1.00 41.04 C ATOM 1337 CD2 PHE A 87 2.549 26.321 -5.730 1.00 31.04 C ATOM 1338 CE1 PHE A 87 2.445 26.570 -2.985 1.00 0.05 C ATOM 1339 CE2 PHE A 87 1.472 25.808 -5.031 1.00 51.31 C ATOM 1340 CZ PHE A 87 1.420 25.934 -3.657 1.00 14.03 C ATOM 0 H PHE A 87 6.774 27.862 -4.054 1.00 44.41 H new ATOM 0 HA PHE A 87 5.821 25.652 -5.783 1.00 11.42 H new ATOM 0 HB2 PHE A 87 4.928 28.545 -5.513 1.00 3.33 H new ATOM 0 HB3 PHE A 87 4.501 27.549 -6.890 1.00 3.33 H new ATOM 0 HD1 PHE A 87 4.317 27.578 -3.157 1.00 41.04 H new ATOM 0 HD2 PHE A 87 2.585 26.221 -6.805 1.00 31.04 H new ATOM 0 HE1 PHE A 87 2.407 26.668 -1.910 1.00 0.05 H new ATOM 0 HE2 PHE A 87 0.673 25.309 -5.559 1.00 51.31 H new ATOM 0 HZ PHE A 87 0.579 25.536 -3.109 1.00 14.03 H new ATOM 1350 N ILE A 88 7.071 26.437 -7.823 1.00 43.24 N ATOM 1351 CA ILE A 88 8.005 26.738 -8.902 1.00 13.02 C ATOM 1352 C ILE A 88 7.283 26.840 -10.241 1.00 71.22 C ATOM 1353 O ILE A 88 7.358 25.933 -11.070 1.00 61.34 O ATOM 1354 CB ILE A 88 9.108 25.669 -9.006 1.00 21.30 C ATOM 1355 CG1 ILE A 88 9.603 25.277 -7.612 1.00 15.31 C ATOM 1356 CG2 ILE A 88 10.260 26.178 -9.859 1.00 24.01 C ATOM 1357 CD1 ILE A 88 10.403 26.363 -6.928 1.00 5.11 C ATOM 0 H ILE A 88 6.436 25.663 -8.018 1.00 43.24 H new ATOM 0 HA ILE A 88 8.463 27.698 -8.665 1.00 13.02 H new ATOM 0 HB ILE A 88 8.690 24.783 -9.485 1.00 21.30 H new ATOM 0 HG12 ILE A 88 8.746 25.022 -6.989 1.00 15.31 H new ATOM 0 HG13 ILE A 88 10.217 24.380 -7.692 1.00 15.31 H new ATOM 0 HG21 ILE A 88 11.032 25.411 -9.923 1.00 24.01 H new ATOM 0 HG22 ILE A 88 9.896 26.411 -10.860 1.00 24.01 H new ATOM 0 HG23 ILE A 88 10.678 27.077 -9.406 1.00 24.01 H new ATOM 0 HD11 ILE A 88 10.721 26.016 -5.945 1.00 5.11 H new ATOM 0 HD12 ILE A 88 11.280 26.603 -7.530 1.00 5.11 H new ATOM 0 HD13 ILE A 88 9.785 27.254 -6.816 1.00 5.11 H new ATOM 1369 N LYS A 89 6.584 27.951 -10.448 1.00 23.04 N ATOM 1370 CA LYS A 89 5.851 28.175 -11.688 1.00 34.24 C ATOM 1371 C LYS A 89 6.796 28.584 -12.813 1.00 33.22 C ATOM 1372 O LYS A 89 7.519 29.574 -12.700 1.00 32.23 O ATOM 1373 CB LYS A 89 4.784 29.254 -11.486 1.00 20.54 C ATOM 1374 CG LYS A 89 4.040 29.619 -12.758 1.00 40.23 C ATOM 1375 CD LYS A 89 3.376 30.981 -12.644 1.00 42.25 C ATOM 1376 CE LYS A 89 2.392 31.027 -11.485 1.00 65.42 C ATOM 1377 NZ LYS A 89 1.166 31.798 -11.829 1.00 12.14 N ATOM 0 H LYS A 89 6.510 28.711 -9.772 1.00 23.04 H new ATOM 0 HA LYS A 89 5.365 27.240 -11.967 1.00 34.24 H new ATOM 0 HB2 LYS A 89 4.066 28.909 -10.742 1.00 20.54 H new ATOM 0 HB3 LYS A 89 5.257 30.149 -11.082 1.00 20.54 H new ATOM 0 HG2 LYS A 89 4.734 29.621 -13.599 1.00 40.23 H new ATOM 0 HG3 LYS A 89 3.285 28.862 -12.969 1.00 40.23 H new ATOM 0 HD2 LYS A 89 4.138 31.748 -12.506 1.00 42.25 H new ATOM 0 HD3 LYS A 89 2.856 31.212 -13.574 1.00 42.25 H new ATOM 0 HE2 LYS A 89 2.115 30.011 -11.203 1.00 65.42 H new ATOM 0 HE3 LYS A 89 2.873 31.478 -10.618 1.00 65.42 H new ATOM 0 HZ1 LYS A 89 0.521 31.806 -11.013 1.00 12.14 H new ATOM 0 HZ2 LYS A 89 1.427 32.775 -12.073 1.00 12.14 H new ATOM 0 HZ3 LYS A 89 0.692 31.353 -12.641 1.00 12.14 H new ATOM 1391 N ASP A 90 6.783 27.817 -13.898 1.00 5.15 N ATOM 1392 CA ASP A 90 7.638 28.102 -15.045 1.00 32.54 C ATOM 1393 C ASP A 90 9.048 27.564 -14.819 1.00 13.55 C ATOM 1394 O ASP A 90 9.872 27.552 -15.732 1.00 30.04 O ATOM 1395 CB ASP A 90 7.689 29.607 -15.309 1.00 15.11 C ATOM 1396 CG ASP A 90 7.957 29.931 -16.765 1.00 62.55 C ATOM 1397 OD1 ASP A 90 8.934 29.387 -17.324 1.00 14.51 O ATOM 1398 OD2 ASP A 90 7.191 30.726 -17.347 1.00 75.13 O ATOM 0 H ASP A 90 6.191 26.994 -14.007 1.00 5.15 H new ATOM 0 HA ASP A 90 7.213 27.603 -15.916 1.00 32.54 H new ATOM 0 HB2 ASP A 90 6.743 30.058 -15.008 1.00 15.11 H new ATOM 0 HB3 ASP A 90 8.467 30.055 -14.691 1.00 15.11 H new ATOM 1403 N GLY A 91 9.318 27.122 -13.594 1.00 51.00 N ATOM 1404 CA GLY A 91 10.629 26.591 -13.270 1.00 10.24 C ATOM 1405 C GLY A 91 11.510 27.608 -12.572 1.00 11.33 C ATOM 1406 O GLY A 91 12.692 27.737 -12.889 1.00 52.42 O ATOM 0 H GLY A 91 8.653 27.122 -12.821 1.00 51.00 H new ATOM 0 HA2 GLY A 91 10.515 25.715 -12.632 1.00 10.24 H new ATOM 0 HA3 GLY A 91 11.119 26.258 -14.185 1.00 10.24 H new ATOM 1410 N ALA A 92 10.933 28.334 -11.619 1.00 61.23 N ATOM 1411 CA ALA A 92 11.674 29.344 -10.875 1.00 12.54 C ATOM 1412 C ALA A 92 11.168 29.450 -9.440 1.00 53.21 C ATOM 1413 O ALA A 92 11.698 28.804 -8.537 1.00 14.43 O ATOM 1414 CB ALA A 92 11.574 30.693 -11.572 1.00 70.13 C ATOM 0 H ALA A 92 9.955 28.241 -11.345 1.00 61.23 H new ATOM 0 HA ALA A 92 12.720 29.041 -10.843 1.00 12.54 H new ATOM 0 HB1 ALA A 92 12.132 31.438 -11.005 1.00 70.13 H new ATOM 0 HB2 ALA A 92 11.990 30.615 -12.577 1.00 70.13 H new ATOM 0 HB3 ALA A 92 10.528 30.994 -11.634 1.00 70.13 H new ATOM 1420 N GLU A 93 10.140 30.269 -9.239 1.00 0.23 N ATOM 1421 CA GLU A 93 9.564 30.460 -7.913 1.00 23.34 C ATOM 1422 C GLU A 93 8.332 31.358 -7.978 1.00 45.02 C ATOM 1423 O GLU A 93 8.441 32.562 -8.209 1.00 32.03 O ATOM 1424 CB GLU A 93 10.601 31.066 -6.964 1.00 61.25 C ATOM 1425 CG GLU A 93 10.338 30.760 -5.499 1.00 42.45 C ATOM 1426 CD GLU A 93 11.585 30.885 -4.645 1.00 35.22 C ATOM 1427 OE1 GLU A 93 12.593 30.223 -4.966 1.00 24.11 O ATOM 1428 OE2 GLU A 93 11.550 31.645 -3.654 1.00 64.14 O ATOM 0 H GLU A 93 9.689 30.810 -9.977 1.00 0.23 H new ATOM 0 HA GLU A 93 9.261 29.484 -7.533 1.00 23.34 H new ATOM 0 HB2 GLU A 93 11.589 30.692 -7.233 1.00 61.25 H new ATOM 0 HB3 GLU A 93 10.620 32.147 -7.103 1.00 61.25 H new ATOM 0 HG2 GLU A 93 9.574 31.439 -5.121 1.00 42.45 H new ATOM 0 HG3 GLU A 93 9.940 29.749 -5.408 1.00 42.45 H new ATOM 1435 N ALA A 94 7.162 30.763 -7.774 1.00 71.34 N ATOM 1436 CA ALA A 94 5.910 31.508 -7.809 1.00 33.03 C ATOM 1437 C ALA A 94 5.516 31.985 -6.415 1.00 4.22 C ATOM 1438 O ALA A 94 4.901 33.040 -6.260 1.00 74.01 O ATOM 1439 CB ALA A 94 4.803 30.653 -8.408 1.00 31.12 C ATOM 0 H ALA A 94 7.055 29.767 -7.583 1.00 71.34 H new ATOM 0 HA ALA A 94 6.056 32.386 -8.438 1.00 33.03 H new ATOM 0 HB1 ALA A 94 3.874 31.222 -8.428 1.00 31.12 H new ATOM 0 HB2 ALA A 94 5.074 30.366 -9.424 1.00 31.12 H new ATOM 0 HB3 ALA A 94 4.667 29.757 -7.802 1.00 31.12 H new ATOM 1445 N ASP A 95 5.875 31.202 -5.404 1.00 1.05 N ATOM 1446 CA ASP A 95 5.560 31.545 -4.022 1.00 12.14 C ATOM 1447 C ASP A 95 5.552 30.300 -3.141 1.00 31.42 C ATOM 1448 O ASP A 95 5.795 29.189 -3.614 1.00 40.32 O ATOM 1449 CB ASP A 95 4.204 32.248 -3.945 1.00 35.21 C ATOM 1450 CG ASP A 95 4.336 33.757 -3.885 1.00 71.22 C ATOM 1451 OD1 ASP A 95 5.429 34.269 -4.205 1.00 54.21 O ATOM 1452 OD2 ASP A 95 3.347 34.425 -3.518 1.00 11.54 O ATOM 0 H ASP A 95 6.384 30.325 -5.515 1.00 1.05 H new ATOM 0 HA ASP A 95 6.333 32.221 -3.657 1.00 12.14 H new ATOM 0 HB2 ASP A 95 3.606 31.973 -4.814 1.00 35.21 H new ATOM 0 HB3 ASP A 95 3.666 31.898 -3.064 1.00 35.21 H new ATOM 1457 N LYS A 96 5.272 30.491 -1.856 1.00 51.52 N ATOM 1458 CA LYS A 96 5.232 29.385 -0.908 1.00 32.23 C ATOM 1459 C LYS A 96 3.900 29.354 -0.164 1.00 64.50 C ATOM 1460 O LYS A 96 2.977 30.099 -0.492 1.00 3.35 O ATOM 1461 CB LYS A 96 6.384 29.501 0.093 1.00 42.45 C ATOM 1462 CG LYS A 96 7.671 30.026 -0.521 1.00 11.45 C ATOM 1463 CD LYS A 96 7.893 31.491 -0.182 1.00 71.10 C ATOM 1464 CE LYS A 96 9.102 31.677 0.722 1.00 14.02 C ATOM 1465 NZ LYS A 96 9.478 33.112 0.857 1.00 32.41 N ATOM 0 H LYS A 96 5.069 31.403 -1.447 1.00 51.52 H new ATOM 0 HA LYS A 96 5.338 28.456 -1.468 1.00 32.23 H new ATOM 0 HB2 LYS A 96 6.083 30.162 0.906 1.00 42.45 H new ATOM 0 HB3 LYS A 96 6.573 28.521 0.532 1.00 42.45 H new ATOM 0 HG2 LYS A 96 8.514 29.436 -0.161 1.00 11.45 H new ATOM 0 HG3 LYS A 96 7.635 29.903 -1.603 1.00 11.45 H new ATOM 0 HD2 LYS A 96 8.033 32.061 -1.101 1.00 71.10 H new ATOM 0 HD3 LYS A 96 7.006 31.891 0.309 1.00 71.10 H new ATOM 0 HE2 LYS A 96 8.886 31.264 1.707 1.00 14.02 H new ATOM 0 HE3 LYS A 96 9.946 31.117 0.320 1.00 14.02 H new ATOM 0 HZ1 LYS A 96 10.306 33.197 1.481 1.00 32.41 H new ATOM 0 HZ2 LYS A 96 9.709 33.500 -0.080 1.00 32.41 H new ATOM 0 HZ3 LYS A 96 8.682 33.643 1.265 1.00 32.41 H new ATOM 1479 N VAL A 97 3.809 28.487 0.840 1.00 75.34 N ATOM 1480 CA VAL A 97 2.591 28.360 1.632 1.00 51.44 C ATOM 1481 C VAL A 97 2.875 27.697 2.975 1.00 41.25 C ATOM 1482 O VAL A 97 3.267 28.359 3.936 1.00 50.24 O ATOM 1483 CB VAL A 97 1.518 27.545 0.886 1.00 41.05 C ATOM 1484 CG1 VAL A 97 0.407 27.128 1.837 1.00 71.23 C ATOM 1485 CG2 VAL A 97 0.960 28.343 -0.283 1.00 15.33 C ATOM 0 H VAL A 97 4.564 27.863 1.124 1.00 75.34 H new ATOM 0 HA VAL A 97 2.217 29.370 1.801 1.00 51.44 H new ATOM 0 HB VAL A 97 1.982 26.642 0.490 1.00 41.05 H new ATOM 0 HG11 VAL A 97 -0.342 26.553 1.292 1.00 71.23 H new ATOM 0 HG12 VAL A 97 0.823 26.515 2.637 1.00 71.23 H new ATOM 0 HG13 VAL A 97 -0.058 28.016 2.265 1.00 71.23 H new ATOM 0 HG21 VAL A 97 0.203 27.752 -0.799 1.00 15.33 H new ATOM 0 HG22 VAL A 97 0.511 29.265 0.087 1.00 15.33 H new ATOM 0 HG23 VAL A 97 1.766 28.585 -0.976 1.00 15.33 H new ATOM 1495 N VAL A 98 2.675 26.384 3.034 1.00 4.30 N ATOM 1496 CA VAL A 98 2.912 25.630 4.259 1.00 32.20 C ATOM 1497 C VAL A 98 2.098 24.341 4.276 1.00 15.04 C ATOM 1498 O VAL A 98 0.951 24.312 3.831 1.00 43.55 O ATOM 1499 CB VAL A 98 2.562 26.462 5.507 1.00 20.10 C ATOM 1500 CG1 VAL A 98 1.892 25.591 6.559 1.00 2.21 C ATOM 1501 CG2 VAL A 98 3.809 27.128 6.069 1.00 12.03 C ATOM 0 H VAL A 98 2.350 25.821 2.248 1.00 4.30 H new ATOM 0 HA VAL A 98 3.974 25.386 4.281 1.00 32.20 H new ATOM 0 HB VAL A 98 1.860 27.243 5.217 1.00 20.10 H new ATOM 0 HG11 VAL A 98 1.652 26.196 7.433 1.00 2.21 H new ATOM 0 HG12 VAL A 98 0.976 25.166 6.149 1.00 2.21 H new ATOM 0 HG13 VAL A 98 2.567 24.786 6.849 1.00 2.21 H new ATOM 0 HG21 VAL A 98 3.544 27.712 6.950 1.00 12.03 H new ATOM 0 HG22 VAL A 98 4.536 26.364 6.345 1.00 12.03 H new ATOM 0 HG23 VAL A 98 4.242 27.786 5.315 1.00 12.03 H new ATOM 1511 N GLY A 99 2.698 23.275 4.796 1.00 64.55 N ATOM 1512 CA GLY A 99 2.014 21.996 4.862 1.00 2.50 C ATOM 1513 C GLY A 99 1.292 21.793 6.179 1.00 4.14 C ATOM 1514 O GLY A 99 1.377 20.724 6.782 1.00 30.34 O ATOM 0 H GLY A 99 3.646 23.274 5.173 1.00 64.55 H new ATOM 0 HA2 GLY A 99 1.297 21.928 4.044 1.00 2.50 H new ATOM 0 HA3 GLY A 99 2.737 21.193 4.720 1.00 2.50 H new ATOM 1518 N ALA A 100 0.582 22.823 6.628 1.00 33.40 N ATOM 1519 CA ALA A 100 -0.158 22.752 7.882 1.00 23.31 C ATOM 1520 C ALA A 100 -1.392 23.647 7.843 1.00 24.13 C ATOM 1521 O ALA A 100 -2.025 23.891 8.870 1.00 12.41 O ATOM 1522 CB ALA A 100 0.741 23.139 9.047 1.00 30.43 C ATOM 0 H ALA A 100 0.504 23.716 6.142 1.00 33.40 H new ATOM 0 HA ALA A 100 -0.492 21.724 8.021 1.00 23.31 H new ATOM 0 HB1 ALA A 100 0.176 23.082 9.977 1.00 30.43 H new ATOM 0 HB2 ALA A 100 1.589 22.456 9.095 1.00 30.43 H new ATOM 0 HB3 ALA A 100 1.103 24.157 8.905 1.00 30.43 H new ATOM 1528 N ARG A 101 -1.727 24.133 6.653 1.00 43.42 N ATOM 1529 CA ARG A 101 -2.884 25.003 6.481 1.00 1.42 C ATOM 1530 C ARG A 101 -3.791 24.488 5.368 1.00 34.31 C ATOM 1531 O ARG A 101 -3.405 24.462 4.199 1.00 35.32 O ATOM 1532 CB ARG A 101 -2.433 26.431 6.166 1.00 33.11 C ATOM 1533 CG ARG A 101 -2.332 27.322 7.393 1.00 54.50 C ATOM 1534 CD ARG A 101 -1.129 26.959 8.248 1.00 5.41 C ATOM 1535 NE ARG A 101 -1.140 27.655 9.532 1.00 24.33 N ATOM 1536 CZ ARG A 101 -0.069 27.783 10.308 1.00 43.54 C ATOM 1537 NH1 ARG A 101 1.093 27.267 9.930 1.00 12.14 N ATOM 1538 NH2 ARG A 101 -0.158 28.430 11.463 1.00 52.44 N ATOM 0 H ARG A 101 -1.214 23.939 5.793 1.00 43.42 H new ATOM 0 HA ARG A 101 -3.448 25.004 7.414 1.00 1.42 H new ATOM 0 HB2 ARG A 101 -1.462 26.396 5.672 1.00 33.11 H new ATOM 0 HB3 ARG A 101 -3.134 26.877 5.460 1.00 33.11 H new ATOM 0 HG2 ARG A 101 -2.257 28.364 7.082 1.00 54.50 H new ATOM 0 HG3 ARG A 101 -3.242 27.231 7.986 1.00 54.50 H new ATOM 0 HD2 ARG A 101 -1.118 25.883 8.419 1.00 5.41 H new ATOM 0 HD3 ARG A 101 -0.214 27.206 7.710 1.00 5.41 H new ATOM 0 HE ARG A 101 -2.018 28.065 9.850 1.00 24.33 H new ATOM 0 HH11 ARG A 101 1.166 26.771 9.042 1.00 12.14 H new ATOM 0 HH12 ARG A 101 1.914 27.367 10.527 1.00 12.14 H new ATOM 0 HH21 ARG A 101 -1.049 28.830 11.756 1.00 52.44 H new ATOM 0 HH22 ARG A 101 0.665 28.527 12.058 1.00 52.44 H new ATOM 1552 N LYS A 102 -5.000 24.077 5.739 1.00 5.52 N ATOM 1553 CA LYS A 102 -5.963 23.563 4.774 1.00 74.13 C ATOM 1554 C LYS A 102 -6.752 24.701 4.133 1.00 61.42 C ATOM 1555 O LYS A 102 -7.710 24.466 3.396 1.00 10.41 O ATOM 1556 CB LYS A 102 -6.923 22.583 5.453 1.00 64.45 C ATOM 1557 CG LYS A 102 -7.317 21.409 4.572 1.00 10.42 C ATOM 1558 CD LYS A 102 -8.627 21.672 3.848 1.00 64.55 C ATOM 1559 CE LYS A 102 -9.731 20.750 4.341 1.00 31.24 C ATOM 1560 NZ LYS A 102 -11.084 21.299 4.049 1.00 10.11 N ATOM 0 H LYS A 102 -5.335 24.090 6.702 1.00 5.52 H new ATOM 0 HA LYS A 102 -5.412 23.040 3.992 1.00 74.13 H new ATOM 0 HB2 LYS A 102 -6.458 22.204 6.363 1.00 64.45 H new ATOM 0 HB3 LYS A 102 -7.823 23.119 5.754 1.00 64.45 H new ATOM 0 HG2 LYS A 102 -6.529 21.219 3.843 1.00 10.42 H new ATOM 0 HG3 LYS A 102 -7.411 20.510 5.182 1.00 10.42 H new ATOM 0 HD2 LYS A 102 -8.925 22.710 3.997 1.00 64.55 H new ATOM 0 HD3 LYS A 102 -8.486 21.532 2.776 1.00 64.55 H new ATOM 0 HE2 LYS A 102 -9.626 19.773 3.869 1.00 31.24 H new ATOM 0 HE3 LYS A 102 -9.625 20.598 5.415 1.00 31.24 H new ATOM 0 HZ1 LYS A 102 -11.809 20.641 4.401 1.00 10.11 H new ATOM 0 HZ2 LYS A 102 -11.194 22.220 4.520 1.00 10.11 H new ATOM 0 HZ3 LYS A 102 -11.195 21.420 3.022 1.00 10.11 H new ATOM 1574 N ASP A 103 -6.342 25.932 4.417 1.00 62.21 N ATOM 1575 CA ASP A 103 -7.008 27.106 3.866 1.00 75.01 C ATOM 1576 C ASP A 103 -6.030 27.963 3.069 1.00 25.04 C ATOM 1577 O ASP A 103 -6.428 28.909 2.390 1.00 70.13 O ATOM 1578 CB ASP A 103 -7.636 27.935 4.987 1.00 14.41 C ATOM 1579 CG ASP A 103 -8.075 29.308 4.516 1.00 3.10 C ATOM 1580 OD1 ASP A 103 -8.816 29.382 3.514 1.00 15.24 O ATOM 1581 OD2 ASP A 103 -7.675 30.308 5.148 1.00 11.44 O ATOM 0 H ASP A 103 -5.551 26.143 5.026 1.00 62.21 H new ATOM 0 HA ASP A 103 -7.794 26.764 3.193 1.00 75.01 H new ATOM 0 HB2 ASP A 103 -8.496 27.401 5.392 1.00 14.41 H new ATOM 0 HB3 ASP A 103 -6.918 28.045 5.799 1.00 14.41 H new ATOM 1586 N ASP A 104 -4.748 27.626 3.159 1.00 3.13 N ATOM 1587 CA ASP A 104 -3.711 28.365 2.447 1.00 33.41 C ATOM 1588 C ASP A 104 -3.165 27.547 1.281 1.00 73.31 C ATOM 1589 O ASP A 104 -2.621 28.098 0.323 1.00 31.11 O ATOM 1590 CB ASP A 104 -2.575 28.738 3.400 1.00 11.23 C ATOM 1591 CG ASP A 104 -2.206 30.206 3.314 1.00 13.23 C ATOM 1592 OD1 ASP A 104 -3.089 31.055 3.561 1.00 24.53 O ATOM 1593 OD2 ASP A 104 -1.036 30.507 2.999 1.00 23.11 O ATOM 0 H ASP A 104 -4.402 26.846 3.718 1.00 3.13 H new ATOM 0 HA ASP A 104 -4.157 29.277 2.051 1.00 33.41 H new ATOM 0 HB2 ASP A 104 -2.869 28.500 4.422 1.00 11.23 H new ATOM 0 HB3 ASP A 104 -1.698 28.132 3.171 1.00 11.23 H new ATOM 1598 N LEU A 105 -3.313 26.229 1.368 1.00 11.54 N ATOM 1599 CA LEU A 105 -2.834 25.335 0.321 1.00 61.53 C ATOM 1600 C LEU A 105 -3.744 25.391 -0.902 1.00 33.31 C ATOM 1601 O LEU A 105 -3.415 26.027 -1.903 1.00 35.51 O ATOM 1602 CB LEU A 105 -2.754 23.900 0.845 1.00 24.15 C ATOM 1603 CG LEU A 105 -2.423 22.824 -0.190 1.00 11.13 C ATOM 1604 CD1 LEU A 105 -0.977 22.947 -0.644 1.00 51.24 C ATOM 1605 CD2 LEU A 105 -2.689 21.438 0.378 1.00 33.34 C ATOM 0 H LEU A 105 -3.761 25.757 2.153 1.00 11.54 H new ATOM 0 HA LEU A 105 -1.838 25.664 0.025 1.00 61.53 H new ATOM 0 HB2 LEU A 105 -2.000 23.863 1.631 1.00 24.15 H new ATOM 0 HB3 LEU A 105 -3.709 23.650 1.307 1.00 24.15 H new ATOM 0 HG LEU A 105 -3.068 22.970 -1.056 1.00 11.13 H new ATOM 0 HD11 LEU A 105 -0.760 22.173 -1.380 1.00 51.24 H new ATOM 0 HD12 LEU A 105 -0.818 23.928 -1.091 1.00 51.24 H new ATOM 0 HD13 LEU A 105 -0.315 22.828 0.214 1.00 51.24 H new ATOM 0 HD21 LEU A 105 -2.448 20.685 -0.372 1.00 33.34 H new ATOM 0 HD22 LEU A 105 -2.070 21.282 1.261 1.00 33.34 H new ATOM 0 HD23 LEU A 105 -3.740 21.353 0.653 1.00 33.34 H new ATOM 1617 N GLN A 106 -4.890 24.723 -0.811 1.00 41.04 N ATOM 1618 CA GLN A 106 -5.848 24.699 -1.910 1.00 72.31 C ATOM 1619 C GLN A 106 -6.075 26.101 -2.466 1.00 23.31 C ATOM 1620 O GLN A 106 -6.527 26.264 -3.598 1.00 52.31 O ATOM 1621 CB GLN A 106 -7.177 24.102 -1.443 1.00 23.41 C ATOM 1622 CG GLN A 106 -7.851 24.905 -0.343 1.00 15.11 C ATOM 1623 CD GLN A 106 -6.894 25.295 0.766 1.00 12.00 C ATOM 1624 OE1 GLN A 106 -6.702 26.478 1.049 1.00 41.04 O ATOM 1625 NE2 GLN A 106 -6.287 24.300 1.402 1.00 74.41 N ATOM 0 H GLN A 106 -5.177 24.192 0.011 1.00 41.04 H new ATOM 0 HA GLN A 106 -5.436 24.076 -2.704 1.00 72.31 H new ATOM 0 HB2 GLN A 106 -7.853 24.030 -2.295 1.00 23.41 H new ATOM 0 HB3 GLN A 106 -7.004 23.087 -1.086 1.00 23.41 H new ATOM 0 HG2 GLN A 106 -8.289 25.806 -0.773 1.00 15.11 H new ATOM 0 HG3 GLN A 106 -8.670 24.321 0.078 1.00 15.11 H new ATOM 0 HE21 GLN A 106 -6.475 23.334 1.135 1.00 74.41 H new ATOM 0 HE22 GLN A 106 -5.632 24.502 2.158 1.00 74.41 H new ATOM 1634 N ASN A 107 -5.757 27.110 -1.661 1.00 32.50 N ATOM 1635 CA ASN A 107 -5.927 28.498 -2.072 1.00 52.34 C ATOM 1636 C ASN A 107 -4.792 28.936 -2.993 1.00 61.20 C ATOM 1637 O ASN A 107 -4.997 29.715 -3.925 1.00 34.34 O ATOM 1638 CB ASN A 107 -5.985 29.412 -0.846 1.00 74.24 C ATOM 1639 CG ASN A 107 -5.674 30.857 -1.187 1.00 34.44 C ATOM 1640 OD1 ASN A 107 -6.456 31.530 -1.858 1.00 72.11 O ATOM 1641 ND2 ASN A 107 -4.527 31.340 -0.723 1.00 74.43 N ATOM 0 H ASN A 107 -5.380 26.992 -0.721 1.00 32.50 H new ATOM 0 HA ASN A 107 -6.866 28.576 -2.620 1.00 52.34 H new ATOM 0 HB2 ASN A 107 -6.977 29.353 -0.398 1.00 74.24 H new ATOM 0 HB3 ASN A 107 -5.276 29.057 -0.098 1.00 74.24 H new ATOM 0 HD21 ASN A 107 -4.264 32.306 -0.919 1.00 74.43 H new ATOM 0 HD22 ASN A 107 -3.909 30.745 -0.171 1.00 74.43 H new ATOM 1648 N THR A 108 -3.592 28.429 -2.726 1.00 71.13 N ATOM 1649 CA THR A 108 -2.424 28.767 -3.529 1.00 61.13 C ATOM 1650 C THR A 108 -2.390 27.956 -4.820 1.00 31.35 C ATOM 1651 O THR A 108 -2.080 28.484 -5.888 1.00 24.14 O ATOM 1652 CB THR A 108 -1.117 28.525 -2.750 1.00 14.01 C ATOM 1653 OG1 THR A 108 -0.942 29.544 -1.760 1.00 1.34 O ATOM 1654 CG2 THR A 108 0.079 28.512 -3.690 1.00 12.44 C ATOM 0 H THR A 108 -3.404 27.783 -1.960 1.00 71.13 H new ATOM 0 HA THR A 108 -2.503 29.827 -3.771 1.00 61.13 H new ATOM 0 HB THR A 108 -1.185 27.553 -2.262 1.00 14.01 H new ATOM 0 HG1 THR A 108 -1.409 29.285 -0.938 1.00 1.34 H new ATOM 0 HG21 THR A 108 0.990 28.340 -3.117 1.00 12.44 H new ATOM 0 HG22 THR A 108 -0.044 27.716 -4.424 1.00 12.44 H new ATOM 0 HG23 THR A 108 0.149 29.471 -4.203 1.00 12.44 H new ATOM 1662 N ILE A 109 -2.712 26.671 -4.714 1.00 21.13 N ATOM 1663 CA ILE A 109 -2.720 25.788 -5.873 1.00 61.14 C ATOM 1664 C ILE A 109 -3.722 26.263 -6.919 1.00 55.34 C ATOM 1665 O ILE A 109 -3.565 26.000 -8.111 1.00 64.55 O ATOM 1666 CB ILE A 109 -3.058 24.339 -5.475 1.00 52.15 C ATOM 1667 CG1 ILE A 109 -1.838 23.661 -4.850 1.00 23.31 C ATOM 1668 CG2 ILE A 109 -3.543 23.557 -6.687 1.00 31.32 C ATOM 1669 CD1 ILE A 109 -1.655 23.980 -3.383 1.00 20.34 C ATOM 0 H ILE A 109 -2.971 26.219 -3.837 1.00 21.13 H new ATOM 0 HA ILE A 109 -1.716 25.815 -6.297 1.00 61.14 H new ATOM 0 HB ILE A 109 -3.858 24.358 -4.735 1.00 52.15 H new ATOM 0 HG12 ILE A 109 -1.931 22.582 -4.970 1.00 23.31 H new ATOM 0 HG13 ILE A 109 -0.944 23.966 -5.394 1.00 23.31 H new ATOM 0 HG21 ILE A 109 -3.778 22.535 -6.390 1.00 31.32 H new ATOM 0 HG22 ILE A 109 -4.436 24.032 -7.093 1.00 31.32 H new ATOM 0 HG23 ILE A 109 -2.762 23.544 -7.448 1.00 31.32 H new ATOM 0 HD11 ILE A 109 -0.771 23.465 -3.006 1.00 20.34 H new ATOM 0 HD12 ILE A 109 -1.530 25.055 -3.257 1.00 20.34 H new ATOM 0 HD13 ILE A 109 -2.532 23.649 -2.827 1.00 20.34 H new ATOM 1681 N VAL A 110 -4.754 26.968 -6.465 1.00 72.31 N ATOM 1682 CA VAL A 110 -5.782 27.483 -7.362 1.00 1.33 C ATOM 1683 C VAL A 110 -5.306 28.743 -8.076 1.00 52.21 C ATOM 1684 O VAL A 110 -5.723 29.029 -9.199 1.00 62.30 O ATOM 1685 CB VAL A 110 -7.084 27.798 -6.601 1.00 42.21 C ATOM 1686 CG1 VAL A 110 -7.641 26.540 -5.953 1.00 13.11 C ATOM 1687 CG2 VAL A 110 -6.844 28.882 -5.561 1.00 41.22 C ATOM 0 H VAL A 110 -4.900 27.195 -5.481 1.00 72.31 H new ATOM 0 HA VAL A 110 -5.980 26.704 -8.098 1.00 1.33 H new ATOM 0 HB VAL A 110 -7.821 28.167 -7.314 1.00 42.21 H new ATOM 0 HG11 VAL A 110 -8.561 26.782 -5.420 1.00 13.11 H new ATOM 0 HG12 VAL A 110 -7.852 25.797 -6.722 1.00 13.11 H new ATOM 0 HG13 VAL A 110 -6.910 26.138 -5.251 1.00 13.11 H new ATOM 0 HG21 VAL A 110 -7.774 29.092 -5.033 1.00 41.22 H new ATOM 0 HG22 VAL A 110 -6.091 28.543 -4.849 1.00 41.22 H new ATOM 0 HG23 VAL A 110 -6.494 29.789 -6.055 1.00 41.22 H new ATOM 1697 N LYS A 111 -4.430 29.495 -7.418 1.00 72.20 N ATOM 1698 CA LYS A 111 -3.895 30.725 -7.990 1.00 23.43 C ATOM 1699 C LYS A 111 -2.762 30.423 -8.966 1.00 74.22 C ATOM 1700 O LYS A 111 -2.531 31.173 -9.915 1.00 3.23 O ATOM 1701 CB LYS A 111 -3.392 31.651 -6.880 1.00 21.42 C ATOM 1702 CG LYS A 111 -1.886 31.604 -6.685 1.00 13.53 C ATOM 1703 CD LYS A 111 -1.497 31.970 -5.262 1.00 61.30 C ATOM 1704 CE LYS A 111 -1.128 33.441 -5.145 1.00 72.33 C ATOM 1705 NZ LYS A 111 0.201 33.630 -4.501 1.00 33.15 N ATOM 0 H LYS A 111 -4.075 29.274 -6.488 1.00 72.20 H new ATOM 0 HA LYS A 111 -4.698 31.222 -8.534 1.00 23.43 H new ATOM 0 HB2 LYS A 111 -3.688 32.674 -7.110 1.00 21.42 H new ATOM 0 HB3 LYS A 111 -3.880 31.380 -5.944 1.00 21.42 H new ATOM 0 HG2 LYS A 111 -1.519 30.604 -6.918 1.00 13.53 H new ATOM 0 HG3 LYS A 111 -1.406 32.290 -7.383 1.00 13.53 H new ATOM 0 HD2 LYS A 111 -2.325 31.747 -4.589 1.00 61.30 H new ATOM 0 HD3 LYS A 111 -0.654 31.356 -4.945 1.00 61.30 H new ATOM 0 HE2 LYS A 111 -1.118 33.893 -6.137 1.00 72.33 H new ATOM 0 HE3 LYS A 111 -1.890 33.961 -4.565 1.00 72.33 H new ATOM 0 HZ1 LYS A 111 0.492 34.624 -4.591 1.00 33.15 H new ATOM 0 HZ2 LYS A 111 0.138 33.378 -3.494 1.00 33.15 H new ATOM 0 HZ3 LYS A 111 0.903 33.020 -4.967 1.00 33.15 H new ATOM 1719 N HIS A 112 -2.061 29.319 -8.729 1.00 3.12 N ATOM 1720 CA HIS A 112 -0.954 28.917 -9.589 1.00 44.22 C ATOM 1721 C HIS A 112 -1.390 27.826 -10.562 1.00 71.11 C ATOM 1722 O HIS A 112 -1.105 27.896 -11.758 1.00 34.32 O ATOM 1723 CB HIS A 112 0.223 28.424 -8.746 1.00 15.12 C ATOM 1724 CG HIS A 112 0.663 29.403 -7.702 1.00 3.51 C ATOM 1725 ND1 HIS A 112 1.103 29.211 -6.437 1.00 60.23 N flip ATOM 1726 CD2 HIS A 112 0.680 30.767 -7.908 1.00 25.44 C flip ATOM 1727 CE1 HIS A 112 1.377 30.448 -5.907 1.00 22.13 C flip ATOM 1728 NE2 HIS A 112 1.113 31.370 -6.816 1.00 74.14 N flip ATOM 0 H HIS A 112 -2.240 28.687 -7.949 1.00 3.12 H new ATOM 0 HA HIS A 112 -0.639 29.788 -10.164 1.00 44.22 H new ATOM 0 HB2 HIS A 112 -0.055 27.488 -8.261 1.00 15.12 H new ATOM 0 HB3 HIS A 112 1.064 28.204 -9.404 1.00 15.12 H new ATOM 0 HD1 HIS A 112 1.211 28.314 -5.964 1.00 60.23 H new ATOM 0 HD2 HIS A 112 0.385 31.264 -8.820 1.00 25.44 H new ATOM 0 HE1 HIS A 112 1.748 30.636 -4.910 1.00 22.13 H new ATOM 1736 N VAL A 113 -2.082 26.818 -10.041 1.00 73.32 N ATOM 1737 CA VAL A 113 -2.558 25.712 -10.864 1.00 33.25 C ATOM 1738 C VAL A 113 -3.997 25.941 -11.313 1.00 61.21 C ATOM 1739 O VAL A 113 -4.399 25.502 -12.390 1.00 12.22 O ATOM 1740 CB VAL A 113 -2.476 24.373 -10.106 1.00 44.12 C ATOM 1741 CG1 VAL A 113 -2.500 23.206 -11.081 1.00 23.41 C ATOM 1742 CG2 VAL A 113 -1.227 24.328 -9.239 1.00 2.53 C ATOM 0 H VAL A 113 -2.326 26.744 -9.053 1.00 73.32 H new ATOM 0 HA VAL A 113 -1.910 25.667 -11.739 1.00 33.25 H new ATOM 0 HB VAL A 113 -3.346 24.290 -9.455 1.00 44.12 H new ATOM 0 HG11 VAL A 113 -2.441 22.269 -10.528 1.00 23.41 H new ATOM 0 HG12 VAL A 113 -3.426 23.231 -11.656 1.00 23.41 H new ATOM 0 HG13 VAL A 113 -1.650 23.281 -11.759 1.00 23.41 H new ATOM 0 HG21 VAL A 113 -1.185 23.375 -8.711 1.00 2.53 H new ATOM 0 HG22 VAL A 113 -0.343 24.433 -9.868 1.00 2.53 H new ATOM 0 HG23 VAL A 113 -1.257 25.143 -8.516 1.00 2.53 H new ATOM 1752 N GLY A 114 -4.769 26.632 -10.480 1.00 2.12 N ATOM 1753 CA GLY A 114 -6.155 26.908 -10.809 1.00 40.22 C ATOM 1754 C GLY A 114 -6.299 28.032 -11.817 1.00 21.44 C ATOM 1755 O GLY A 114 -7.363 28.211 -12.408 1.00 63.05 O ATOM 0 H GLY A 114 -4.459 27.006 -9.583 1.00 2.12 H new ATOM 0 HA2 GLY A 114 -6.617 26.005 -11.208 1.00 40.22 H new ATOM 0 HA3 GLY A 114 -6.696 27.168 -9.899 1.00 40.22 H new ATOM 1759 N ALA A 115 -5.226 28.791 -12.011 1.00 2.22 N ATOM 1760 CA ALA A 115 -5.237 29.903 -12.954 1.00 32.24 C ATOM 1761 C ALA A 115 -6.515 30.724 -12.818 1.00 42.33 C ATOM 1762 O ALA A 115 -7.042 31.240 -13.805 1.00 22.22 O ATOM 1763 CB ALA A 115 -5.086 29.389 -14.378 1.00 33.44 C ATOM 0 H ALA A 115 -4.338 28.656 -11.528 1.00 2.22 H new ATOM 0 HA ALA A 115 -4.392 30.552 -12.723 1.00 32.24 H new ATOM 0 HB1 ALA A 115 -5.096 30.230 -15.071 1.00 33.44 H new ATOM 0 HB2 ALA A 115 -4.142 28.852 -14.473 1.00 33.44 H new ATOM 0 HB3 ALA A 115 -5.911 28.717 -14.612 1.00 33.44 H new ATOM 1769 N THR A 116 -7.010 30.842 -11.590 1.00 42.41 N ATOM 1770 CA THR A 116 -8.227 31.600 -11.326 1.00 62.51 C ATOM 1771 C THR A 116 -8.282 32.064 -9.875 1.00 45.02 C ATOM 1772 O THR A 116 -8.766 33.156 -9.581 1.00 42.43 O ATOM 1773 CB THR A 116 -9.485 30.766 -11.634 1.00 60.11 C ATOM 1774 OG1 THR A 116 -9.386 29.481 -11.010 1.00 60.25 O ATOM 1775 CG2 THR A 116 -9.666 30.594 -13.135 1.00 14.43 C ATOM 0 H THR A 116 -6.587 30.422 -10.762 1.00 42.41 H new ATOM 0 HA THR A 116 -8.206 32.470 -11.982 1.00 62.51 H new ATOM 0 HB THR A 116 -10.351 31.296 -11.238 1.00 60.11 H new ATOM 0 HG1 THR A 116 -8.718 28.940 -11.480 1.00 60.25 H new ATOM 0 HG21 THR A 116 -10.561 30.002 -13.328 1.00 14.43 H new ATOM 0 HG22 THR A 116 -9.771 31.573 -13.603 1.00 14.43 H new ATOM 0 HG23 THR A 116 -8.797 30.084 -13.550 1.00 14.43 H new ATOM 1783 N ALA A 117 -7.781 31.228 -8.972 1.00 32.43 N ATOM 1784 CA ALA A 117 -7.771 31.554 -7.551 1.00 41.43 C ATOM 1785 C ALA A 117 -9.183 31.816 -7.038 1.00 22.32 C ATOM 1786 O ALA A 117 -10.064 32.220 -7.796 1.00 31.24 O ATOM 1787 CB ALA A 117 -6.882 32.762 -7.294 1.00 42.10 C ATOM 0 H ALA A 117 -7.377 30.320 -9.199 1.00 32.43 H new ATOM 0 HA ALA A 117 -7.369 30.698 -7.009 1.00 41.43 H new ATOM 0 HB1 ALA A 117 -6.883 32.995 -6.229 1.00 42.10 H new ATOM 0 HB2 ALA A 117 -5.864 32.540 -7.616 1.00 42.10 H new ATOM 0 HB3 ALA A 117 -7.260 33.618 -7.853 1.00 42.10 H new ATOM 1793 N ALA A 118 -9.390 31.581 -5.746 1.00 54.42 N ATOM 1794 CA ALA A 118 -10.695 31.793 -5.132 1.00 31.24 C ATOM 1795 C ALA A 118 -10.603 32.783 -3.975 1.00 74.42 C ATOM 1796 O ALA A 118 -10.302 32.404 -2.844 1.00 32.55 O ATOM 1797 CB ALA A 118 -11.273 30.470 -4.652 1.00 31.43 C ATOM 0 H ALA A 118 -8.671 31.244 -5.105 1.00 54.42 H new ATOM 0 HA ALA A 118 -11.360 32.216 -5.886 1.00 31.24 H new ATOM 0 HB1 ALA A 118 -12.248 30.643 -4.196 1.00 31.43 H new ATOM 0 HB2 ALA A 118 -11.384 29.793 -5.499 1.00 31.43 H new ATOM 0 HB3 ALA A 118 -10.602 30.025 -3.917 1.00 31.43 H new ATOM 1803 N SER A 119 -10.864 34.053 -4.267 1.00 72.25 N ATOM 1804 CA SER A 119 -10.806 35.098 -3.252 1.00 55.15 C ATOM 1805 C SER A 119 -9.610 34.893 -2.328 1.00 70.54 C ATOM 1806 O SER A 119 -9.714 34.224 -1.300 1.00 44.13 O ATOM 1807 CB SER A 119 -12.100 35.117 -2.435 1.00 25.51 C ATOM 1808 OG SER A 119 -13.043 36.014 -2.994 1.00 33.24 O ATOM 0 H SER A 119 -11.118 34.383 -5.198 1.00 72.25 H new ATOM 0 HA SER A 119 -10.690 36.056 -3.759 1.00 55.15 H new ATOM 0 HB2 SER A 119 -12.525 34.114 -2.398 1.00 25.51 H new ATOM 0 HB3 SER A 119 -11.881 35.408 -1.408 1.00 25.51 H new ATOM 0 HG SER A 119 -13.861 36.006 -2.455 1.00 33.24 H new ATOM 1814 N ALA A 120 -8.475 35.473 -2.703 1.00 65.50 N ATOM 1815 CA ALA A 120 -7.258 35.355 -1.908 1.00 54.41 C ATOM 1816 C ALA A 120 -6.787 36.722 -1.421 1.00 61.54 C ATOM 1817 O ALA A 120 -7.007 37.736 -2.082 1.00 52.43 O ATOM 1818 CB ALA A 120 -6.164 34.674 -2.716 1.00 4.03 C ATOM 0 H ALA A 120 -8.372 36.029 -3.552 1.00 65.50 H new ATOM 0 HA ALA A 120 -7.482 34.744 -1.034 1.00 54.41 H new ATOM 0 HB1 ALA A 120 -5.261 34.593 -2.110 1.00 4.03 H new ATOM 0 HB2 ALA A 120 -6.495 33.678 -3.010 1.00 4.03 H new ATOM 0 HB3 ALA A 120 -5.950 35.263 -3.608 1.00 4.03 H new ATOM 1824 N SER A 121 -6.138 36.740 -0.262 1.00 20.24 N ATOM 1825 CA SER A 121 -5.639 37.983 0.316 1.00 74.51 C ATOM 1826 C SER A 121 -6.792 38.918 0.670 1.00 23.54 C ATOM 1827 O SER A 121 -6.661 40.139 0.592 1.00 32.31 O ATOM 1828 CB SER A 121 -4.686 38.676 -0.659 1.00 52.31 C ATOM 1829 OG SER A 121 -3.339 38.531 -0.245 1.00 42.41 O ATOM 0 H SER A 121 -5.945 35.908 0.296 1.00 20.24 H new ATOM 0 HA SER A 121 -5.098 37.739 1.230 1.00 74.51 H new ATOM 0 HB2 SER A 121 -4.811 38.254 -1.656 1.00 52.31 H new ATOM 0 HB3 SER A 121 -4.937 39.735 -0.727 1.00 52.31 H new ATOM 0 HG SER A 121 -2.750 38.981 -0.886 1.00 42.41 H new ATOM 1835 N ALA A 122 -7.920 38.334 1.061 1.00 52.04 N ATOM 1836 CA ALA A 122 -9.095 39.114 1.429 1.00 34.53 C ATOM 1837 C ALA A 122 -9.019 39.567 2.883 1.00 14.12 C ATOM 1838 O ALA A 122 -9.576 38.924 3.774 1.00 55.21 O ATOM 1839 CB ALA A 122 -10.362 38.304 1.193 1.00 65.54 C ATOM 0 H ALA A 122 -8.045 37.324 1.131 1.00 52.04 H new ATOM 0 HA ALA A 122 -9.122 40.003 0.799 1.00 34.53 H new ATOM 0 HB1 ALA A 122 -11.232 38.899 1.472 1.00 65.54 H new ATOM 0 HB2 ALA A 122 -10.430 38.034 0.139 1.00 65.54 H new ATOM 0 HB3 ALA A 122 -10.333 37.398 1.798 1.00 65.54 H new TER 1845 ALA A 122