USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 925 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 52 TYR OH : rot 108:sc= -2.32! USER MOD Set 1.2: A 72 ASN : amide:sc= -1.1 K(o=-3.4,f=-4.7) USER MOD Set 2.1: A 62 THR OG1 : rot -74:sc= 0.846 USER MOD Set 2.2: A 63 HIS : no HE2:sc= 0.366 K(o=1.2,f=-0.57) USER MOD Set 3.1: A 16 LYS NZ :NH3+ -155:sc= 1.69 (180deg=-0.169) USER MOD Set 3.2: A 28 TYR OH : rot -9:sc= 0.821 USER MOD Set 3.3: A 77 ASN : amide:sc= -0.936! K(o=1.6!,f=-5.9) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.203 (180deg=-0.918) USER MOD Single : A 1 MET N :NH3+ -100:sc= 0.0398 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0056 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.476 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot -90:sc= -3.25! USER MOD Single : A 15 ASN : amide:sc= 1.22 K(o=1.2,f=-0.0028) USER MOD Single : A 19 HIS : no HD1:sc= -1.02 K(o=-1,f=0.28) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -140:sc= -1.05 (180deg=-3.08!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.953 K(o=-0.95,f=0.11) USER MOD Single : A 36 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000387) USER MOD Single : A 38 HIS : no HD1:sc= 0.866 K(o=0.87,f=-5.2!) USER MOD Single : A 41 HIS : no HD1:sc= -0.0065 X(o=-0.0065,f=-0.012) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0217) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.0268 (180deg=-0.242) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0368 USER MOD Single : A 53 GLN : amide:sc= -0.0308 K(o=-0.031,f=-9!) USER MOD Single : A 54 LYS NZ :NH3+ 174:sc=-0.000395 (180deg=-0.0445) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 65 TYR OH : rot -177:sc= -0.149 USER MOD Single : A 67 THR OG1 : rot 57:sc= 0.269! USER MOD Single : A 70 LYS NZ :NH3+ 142:sc= 1.11 (180deg=-0.884!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 30:sc= -2.01! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.62 K(o=-0.62,f=-2.2!) USER MOD Single : A 93 THR OG1 : rot 11:sc= -0.0684 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HE2:sc= 0.0026! C(o=0.0026!,f=-6.6!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 106 HIS : no HD1:sc= -0.0906 X(o=-0.091,f=-0.094) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HE2:sc= 0.935 K(o=0.94,f=-4.1!) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.988 8.367 15.403 1.00 64.44 N ATOM 2 CA MET A 1 5.882 8.304 14.421 1.00 41.31 C ATOM 3 C MET A 1 5.907 6.979 13.671 1.00 74.10 C ATOM 4 O MET A 1 6.967 6.387 13.470 1.00 33.30 O ATOM 5 CB MET A 1 5.983 9.474 13.438 1.00 42.34 C ATOM 6 CG MET A 1 4.847 9.527 12.434 1.00 52.02 C ATOM 7 SD MET A 1 4.955 10.950 11.338 1.00 74.12 S ATOM 8 CE MET A 1 4.848 12.290 12.523 1.00 52.24 C ATOM 0 H1 MET A 1 6.623 8.146 16.352 1.00 64.44 H new ATOM 0 H2 MET A 1 7.721 7.676 15.145 1.00 64.44 H new ATOM 0 H3 MET A 1 7.398 9.323 15.403 1.00 64.44 H new ATOM 0 HA MET A 1 4.936 8.377 14.958 1.00 41.31 H new ATOM 0 HB2 MET A 1 6.004 10.408 14.000 1.00 42.34 H new ATOM 0 HB3 MET A 1 6.929 9.404 12.900 1.00 42.34 H new ATOM 0 HG2 MET A 1 4.851 8.614 11.839 1.00 52.02 H new ATOM 0 HG3 MET A 1 3.897 9.556 12.968 1.00 52.02 H new ATOM 0 HE1 MET A 1 4.512 13.196 12.019 1.00 52.24 H new ATOM 0 HE2 MET A 1 4.138 12.027 13.307 1.00 52.24 H new ATOM 0 HE3 MET A 1 5.829 12.464 12.965 1.00 52.24 H new ATOM 20 N ILE A 2 4.732 6.506 13.280 1.00 0.01 N ATOM 21 CA ILE A 2 4.612 5.243 12.574 1.00 24.10 C ATOM 22 C ILE A 2 5.035 5.384 11.109 1.00 22.20 C ATOM 23 O ILE A 2 4.712 6.375 10.432 1.00 14.53 O ATOM 24 CB ILE A 2 3.172 4.684 12.679 1.00 52.54 C ATOM 25 CG1 ILE A 2 3.098 3.254 12.146 1.00 33.03 C ATOM 26 CG2 ILE A 2 2.182 5.576 11.944 1.00 55.41 C ATOM 27 CD1 ILE A 2 1.790 2.563 12.468 1.00 40.04 C ATOM 0 H ILE A 2 3.845 6.983 13.442 1.00 0.01 H new ATOM 0 HA ILE A 2 5.288 4.532 13.050 1.00 24.10 H new ATOM 0 HB ILE A 2 2.901 4.671 13.735 1.00 52.54 H new ATOM 0 HG12 ILE A 2 3.237 3.269 11.065 1.00 33.03 H new ATOM 0 HG13 ILE A 2 3.920 2.674 12.565 1.00 33.03 H new ATOM 0 HG21 ILE A 2 1.179 5.159 12.035 1.00 55.41 H new ATOM 0 HG22 ILE A 2 2.200 6.575 12.379 1.00 55.41 H new ATOM 0 HG23 ILE A 2 2.457 5.634 10.891 1.00 55.41 H new ATOM 0 HD11 ILE A 2 1.803 1.552 12.061 1.00 40.04 H new ATOM 0 HD12 ILE A 2 1.659 2.518 13.549 1.00 40.04 H new ATOM 0 HD13 ILE A 2 0.965 3.121 12.026 1.00 40.04 H new ATOM 39 N THR A 3 5.795 4.407 10.640 1.00 55.02 N ATOM 40 CA THR A 3 6.239 4.373 9.263 1.00 0.24 C ATOM 41 C THR A 3 5.144 3.806 8.371 1.00 42.42 C ATOM 42 O THR A 3 4.223 3.148 8.856 1.00 73.25 O ATOM 43 CB THR A 3 7.525 3.536 9.115 1.00 25.22 C ATOM 44 OG1 THR A 3 7.362 2.255 9.740 1.00 4.55 O ATOM 45 CG2 THR A 3 8.707 4.262 9.734 1.00 23.03 C ATOM 0 H THR A 3 6.118 3.620 11.203 1.00 55.02 H new ATOM 0 HA THR A 3 6.459 5.395 8.954 1.00 0.24 H new ATOM 0 HB THR A 3 7.717 3.391 8.052 1.00 25.22 H new ATOM 0 HG1 THR A 3 8.185 1.734 9.637 1.00 4.55 H new ATOM 0 HG21 THR A 3 9.606 3.656 9.620 1.00 23.03 H new ATOM 0 HG22 THR A 3 8.849 5.220 9.233 1.00 23.03 H new ATOM 0 HG23 THR A 3 8.516 4.432 10.794 1.00 23.03 H new ATOM 53 N PHE A 4 5.241 4.059 7.074 1.00 31.53 N ATOM 54 CA PHE A 4 4.223 3.612 6.136 1.00 42.15 C ATOM 55 C PHE A 4 4.130 2.088 6.110 1.00 71.11 C ATOM 56 O PHE A 4 3.034 1.529 6.069 1.00 73.41 O ATOM 57 CB PHE A 4 4.515 4.150 4.735 1.00 73.43 C ATOM 58 CG PHE A 4 3.524 3.693 3.704 1.00 51.42 C ATOM 59 CD1 PHE A 4 2.163 3.804 3.937 1.00 43.30 C ATOM 60 CD2 PHE A 4 3.952 3.143 2.507 1.00 20.52 C ATOM 61 CE1 PHE A 4 1.249 3.373 2.997 1.00 22.35 C ATOM 62 CE2 PHE A 4 3.042 2.711 1.564 1.00 34.25 C ATOM 63 CZ PHE A 4 1.689 2.826 1.809 1.00 72.01 C ATOM 0 H PHE A 4 6.014 4.571 6.648 1.00 31.53 H new ATOM 0 HA PHE A 4 3.262 4.004 6.470 1.00 42.15 H new ATOM 0 HB2 PHE A 4 4.520 5.240 4.766 1.00 73.43 H new ATOM 0 HB3 PHE A 4 5.514 3.835 4.433 1.00 73.43 H new ATOM 0 HD1 PHE A 4 1.813 4.233 4.865 1.00 43.30 H new ATOM 0 HD2 PHE A 4 5.010 3.051 2.310 1.00 20.52 H new ATOM 0 HE1 PHE A 4 0.190 3.464 3.191 1.00 22.35 H new ATOM 0 HE2 PHE A 4 3.389 2.283 0.635 1.00 34.25 H new ATOM 0 HZ PHE A 4 0.975 2.488 1.072 1.00 72.01 H new ATOM 73 N ALA A 5 5.278 1.424 6.148 1.00 3.24 N ATOM 74 CA ALA A 5 5.317 -0.033 6.141 1.00 62.25 C ATOM 75 C ALA A 5 4.614 -0.594 7.371 1.00 13.45 C ATOM 76 O ALA A 5 3.756 -1.472 7.266 1.00 52.32 O ATOM 77 CB ALA A 5 6.756 -0.525 6.077 1.00 21.10 C ATOM 0 H ALA A 5 6.194 1.871 6.184 1.00 3.24 H new ATOM 0 HA ALA A 5 4.791 -0.388 5.255 1.00 62.25 H new ATOM 0 HB1 ALA A 5 6.768 -1.615 6.073 1.00 21.10 H new ATOM 0 HB2 ALA A 5 7.228 -0.153 5.167 1.00 21.10 H new ATOM 0 HB3 ALA A 5 7.304 -0.160 6.945 1.00 21.10 H new ATOM 83 N ASP A 6 4.961 -0.057 8.534 1.00 2.11 N ATOM 84 CA ASP A 6 4.381 -0.515 9.789 1.00 1.21 C ATOM 85 C ASP A 6 2.894 -0.182 9.839 1.00 61.04 C ATOM 86 O ASP A 6 2.083 -0.984 10.310 1.00 43.11 O ATOM 87 CB ASP A 6 5.110 0.127 10.973 1.00 32.23 C ATOM 88 CG ASP A 6 4.705 -0.466 12.308 1.00 3.41 C ATOM 89 OD1 ASP A 6 4.994 -1.657 12.548 1.00 52.22 O ATOM 90 OD2 ASP A 6 4.108 0.254 13.131 1.00 22.42 O ATOM 0 H ASP A 6 5.641 0.696 8.634 1.00 2.11 H new ATOM 0 HA ASP A 6 4.496 -1.597 9.852 1.00 1.21 H new ATOM 0 HB2 ASP A 6 6.185 0.007 10.839 1.00 32.23 H new ATOM 0 HB3 ASP A 6 4.907 1.198 10.980 1.00 32.23 H new ATOM 95 N TYR A 7 2.542 0.991 9.322 1.00 63.13 N ATOM 96 CA TYR A 7 1.156 1.446 9.300 1.00 61.15 C ATOM 97 C TYR A 7 0.296 0.551 8.421 1.00 52.14 C ATOM 98 O TYR A 7 -0.743 0.065 8.855 1.00 50.21 O ATOM 99 CB TYR A 7 1.073 2.892 8.801 1.00 51.24 C ATOM 100 CG TYR A 7 -0.331 3.462 8.817 1.00 50.43 C ATOM 101 CD1 TYR A 7 -0.851 4.039 9.968 1.00 22.13 C ATOM 102 CD2 TYR A 7 -1.139 3.415 7.684 1.00 64.00 C ATOM 103 CE1 TYR A 7 -2.132 4.553 9.992 1.00 31.14 C ATOM 104 CE2 TYR A 7 -2.423 3.926 7.701 1.00 75.32 C ATOM 105 CZ TYR A 7 -2.914 4.496 8.857 1.00 40.54 C ATOM 106 OH TYR A 7 -4.195 5.002 8.884 1.00 14.34 O ATOM 0 H TYR A 7 3.204 1.649 8.909 1.00 63.13 H new ATOM 0 HA TYR A 7 0.777 1.396 10.321 1.00 61.15 H new ATOM 0 HB2 TYR A 7 1.717 3.518 9.419 1.00 51.24 H new ATOM 0 HB3 TYR A 7 1.463 2.939 7.784 1.00 51.24 H new ATOM 0 HD1 TYR A 7 -0.243 4.086 10.859 1.00 22.13 H new ATOM 0 HD2 TYR A 7 -0.756 2.972 6.777 1.00 64.00 H new ATOM 0 HE1 TYR A 7 -2.521 4.998 10.896 1.00 31.14 H new ATOM 0 HE2 TYR A 7 -3.038 3.879 6.815 1.00 75.32 H new ATOM 0 HH TYR A 7 -4.611 4.885 8.005 1.00 14.34 H new ATOM 116 N PHE A 8 0.738 0.344 7.184 1.00 45.02 N ATOM 117 CA PHE A 8 -0.023 -0.430 6.208 1.00 34.30 C ATOM 118 C PHE A 8 -0.349 -1.822 6.742 1.00 14.04 C ATOM 119 O PHE A 8 -1.488 -2.284 6.653 1.00 32.12 O ATOM 120 CB PHE A 8 0.761 -0.542 4.895 1.00 51.30 C ATOM 121 CG PHE A 8 0.022 -1.259 3.801 1.00 4.25 C ATOM 122 CD1 PHE A 8 -0.951 -0.605 3.061 1.00 74.20 C ATOM 123 CD2 PHE A 8 0.305 -2.584 3.507 1.00 2.42 C ATOM 124 CE1 PHE A 8 -1.627 -1.259 2.049 1.00 63.14 C ATOM 125 CE2 PHE A 8 -0.370 -3.244 2.497 1.00 21.25 C ATOM 126 CZ PHE A 8 -1.335 -2.580 1.766 1.00 41.23 C ATOM 0 H PHE A 8 1.625 0.704 6.832 1.00 45.02 H new ATOM 0 HA PHE A 8 -0.962 0.091 6.022 1.00 34.30 H new ATOM 0 HB2 PHE A 8 1.017 0.460 4.550 1.00 51.30 H new ATOM 0 HB3 PHE A 8 1.699 -1.063 5.087 1.00 51.30 H new ATOM 0 HD1 PHE A 8 -1.183 0.427 3.278 1.00 74.20 H new ATOM 0 HD2 PHE A 8 1.062 -3.107 4.074 1.00 2.42 H new ATOM 0 HE1 PHE A 8 -2.383 -0.739 1.480 1.00 63.14 H new ATOM 0 HE2 PHE A 8 -0.143 -4.277 2.280 1.00 21.25 H new ATOM 0 HZ PHE A 8 -1.861 -3.092 0.974 1.00 41.23 H new ATOM 136 N TYR A 9 0.652 -2.475 7.316 1.00 70.03 N ATOM 137 CA TYR A 9 0.481 -3.820 7.837 1.00 24.31 C ATOM 138 C TYR A 9 -0.461 -3.819 9.038 1.00 1.45 C ATOM 139 O TYR A 9 -1.364 -4.650 9.128 1.00 45.04 O ATOM 140 CB TYR A 9 1.833 -4.409 8.226 1.00 64.43 C ATOM 141 CG TYR A 9 1.781 -5.885 8.547 1.00 65.43 C ATOM 142 CD1 TYR A 9 1.843 -6.833 7.535 1.00 31.41 C ATOM 143 CD2 TYR A 9 1.666 -6.329 9.856 1.00 41.13 C ATOM 144 CE1 TYR A 9 1.794 -8.183 7.818 1.00 60.43 C ATOM 145 CE2 TYR A 9 1.619 -7.677 10.148 1.00 71.01 C ATOM 146 CZ TYR A 9 1.682 -8.601 9.123 1.00 75.51 C ATOM 147 OH TYR A 9 1.638 -9.950 9.404 1.00 4.11 O ATOM 0 H TYR A 9 1.591 -2.093 7.432 1.00 70.03 H new ATOM 0 HA TYR A 9 0.038 -4.438 7.056 1.00 24.31 H new ATOM 0 HB2 TYR A 9 2.538 -4.248 7.411 1.00 64.43 H new ATOM 0 HB3 TYR A 9 2.219 -3.871 9.092 1.00 64.43 H new ATOM 0 HD1 TYR A 9 1.931 -6.509 6.509 1.00 31.41 H new ATOM 0 HD2 TYR A 9 1.612 -5.609 10.659 1.00 41.13 H new ATOM 0 HE1 TYR A 9 1.843 -8.907 7.018 1.00 60.43 H new ATOM 0 HE2 TYR A 9 1.533 -8.008 11.173 1.00 71.01 H new ATOM 0 HH TYR A 9 1.559 -10.080 10.372 1.00 4.11 H new ATOM 157 N GLN A 10 -0.249 -2.873 9.950 1.00 31.10 N ATOM 158 CA GLN A 10 -1.085 -2.749 11.139 1.00 40.21 C ATOM 159 C GLN A 10 -2.534 -2.481 10.745 1.00 43.42 C ATOM 160 O GLN A 10 -3.456 -3.126 11.241 1.00 73.52 O ATOM 161 CB GLN A 10 -0.570 -1.609 12.023 1.00 3.03 C ATOM 162 CG GLN A 10 -1.425 -1.340 13.251 1.00 63.42 C ATOM 163 CD GLN A 10 -0.961 -0.116 14.016 1.00 62.21 C ATOM 164 OE1 GLN A 10 -0.111 -0.211 14.900 1.00 11.34 O ATOM 165 NE2 GLN A 10 -1.519 1.039 13.686 1.00 64.04 N ATOM 0 H GLN A 10 0.497 -2.180 9.887 1.00 31.10 H new ATOM 0 HA GLN A 10 -1.039 -3.685 11.695 1.00 40.21 H new ATOM 0 HB2 GLN A 10 0.445 -1.843 12.344 1.00 3.03 H new ATOM 0 HB3 GLN A 10 -0.513 -0.698 11.427 1.00 3.03 H new ATOM 0 HG2 GLN A 10 -2.463 -1.204 12.946 1.00 63.42 H new ATOM 0 HG3 GLN A 10 -1.397 -2.209 13.908 1.00 63.42 H new ATOM 0 HE21 GLN A 10 -2.221 1.074 12.946 1.00 64.04 H new ATOM 0 HE22 GLN A 10 -1.247 1.894 14.171 1.00 64.04 H new ATOM 174 N TRP A 11 -2.710 -1.529 9.838 1.00 54.11 N ATOM 175 CA TRP A 11 -4.024 -1.158 9.332 1.00 71.24 C ATOM 176 C TRP A 11 -4.762 -2.380 8.784 1.00 40.54 C ATOM 177 O TRP A 11 -5.942 -2.585 9.074 1.00 14.14 O ATOM 178 CB TRP A 11 -3.857 -0.082 8.254 1.00 22.20 C ATOM 179 CG TRP A 11 -5.094 0.214 7.466 1.00 40.01 C ATOM 180 CD1 TRP A 11 -6.180 0.934 7.871 1.00 30.35 C ATOM 181 CD2 TRP A 11 -5.357 -0.194 6.122 1.00 44.11 C ATOM 182 NE1 TRP A 11 -7.107 0.994 6.858 1.00 24.21 N ATOM 183 CE2 TRP A 11 -6.622 0.312 5.772 1.00 14.13 C ATOM 184 CE3 TRP A 11 -4.642 -0.938 5.177 1.00 53.23 C ATOM 185 CZ2 TRP A 11 -7.186 0.095 4.519 1.00 54.44 C ATOM 186 CZ3 TRP A 11 -5.205 -1.155 3.935 1.00 11.24 C ATOM 187 CH2 TRP A 11 -6.464 -0.636 3.616 1.00 0.45 C ATOM 0 H TRP A 11 -1.944 -0.992 9.432 1.00 54.11 H new ATOM 0 HA TRP A 11 -4.627 -0.757 10.147 1.00 71.24 H new ATOM 0 HB2 TRP A 11 -3.517 0.838 8.729 1.00 22.20 H new ATOM 0 HB3 TRP A 11 -3.071 -0.395 7.566 1.00 22.20 H new ATOM 0 HD1 TRP A 11 -6.294 1.389 8.844 1.00 30.35 H new ATOM 0 HE1 TRP A 11 -8.009 1.468 6.906 1.00 24.21 H new ATOM 0 HE3 TRP A 11 -3.666 -1.336 5.415 1.00 53.23 H new ATOM 0 HZ2 TRP A 11 -8.159 0.490 4.268 1.00 54.44 H new ATOM 0 HZ3 TRP A 11 -4.666 -1.734 3.200 1.00 11.24 H new ATOM 0 HH2 TRP A 11 -6.876 -0.817 2.634 1.00 0.45 H new ATOM 198 N TYR A 12 -4.061 -3.191 8.010 1.00 73.33 N ATOM 199 CA TYR A 12 -4.633 -4.414 7.468 1.00 43.22 C ATOM 200 C TYR A 12 -4.958 -5.409 8.581 1.00 65.43 C ATOM 201 O TYR A 12 -6.077 -5.925 8.655 1.00 25.43 O ATOM 202 CB TYR A 12 -3.670 -5.045 6.459 1.00 13.51 C ATOM 203 CG TYR A 12 -4.041 -6.460 6.078 1.00 44.03 C ATOM 204 CD1 TYR A 12 -5.167 -6.721 5.312 1.00 11.25 C ATOM 205 CD2 TYR A 12 -3.263 -7.533 6.492 1.00 54.41 C ATOM 206 CE1 TYR A 12 -5.510 -8.011 4.968 1.00 34.02 C ATOM 207 CE2 TYR A 12 -3.598 -8.827 6.150 1.00 63.23 C ATOM 208 CZ TYR A 12 -4.722 -9.061 5.390 1.00 12.11 C ATOM 209 OH TYR A 12 -5.063 -10.348 5.054 1.00 64.42 O ATOM 0 H TYR A 12 -3.091 -3.025 7.741 1.00 73.33 H new ATOM 0 HA TYR A 12 -5.563 -4.158 6.960 1.00 43.22 H new ATOM 0 HB2 TYR A 12 -3.643 -4.430 5.560 1.00 13.51 H new ATOM 0 HB3 TYR A 12 -2.664 -5.041 6.877 1.00 13.51 H new ATOM 0 HD1 TYR A 12 -5.785 -5.900 4.980 1.00 11.25 H new ATOM 0 HD2 TYR A 12 -2.383 -7.352 7.091 1.00 54.41 H new ATOM 0 HE1 TYR A 12 -6.391 -8.198 4.372 1.00 34.02 H new ATOM 0 HE2 TYR A 12 -2.982 -9.652 6.477 1.00 63.23 H new ATOM 0 HH TYR A 12 -5.647 -10.723 5.746 1.00 64.42 H new ATOM 219 N GLU A 13 -3.979 -5.653 9.444 1.00 71.42 N ATOM 220 CA GLU A 13 -4.109 -6.616 10.540 1.00 73.52 C ATOM 221 C GLU A 13 -5.326 -6.337 11.420 1.00 42.13 C ATOM 222 O GLU A 13 -5.969 -7.261 11.912 1.00 3.43 O ATOM 223 CB GLU A 13 -2.848 -6.588 11.397 1.00 3.02 C ATOM 224 CG GLU A 13 -1.717 -7.451 10.867 1.00 33.55 C ATOM 225 CD GLU A 13 -1.908 -8.918 11.179 1.00 22.43 C ATOM 226 OE1 GLU A 13 -1.942 -9.272 12.379 1.00 1.24 O ATOM 227 OE2 GLU A 13 -2.006 -9.730 10.238 1.00 24.04 O ATOM 0 H GLU A 13 -3.071 -5.190 9.407 1.00 71.42 H new ATOM 0 HA GLU A 13 -4.245 -7.601 10.093 1.00 73.52 H new ATOM 0 HB2 GLU A 13 -2.498 -5.559 11.476 1.00 3.02 H new ATOM 0 HB3 GLU A 13 -3.100 -6.917 12.405 1.00 3.02 H new ATOM 0 HG2 GLU A 13 -1.641 -7.320 9.788 1.00 33.55 H new ATOM 0 HG3 GLU A 13 -0.774 -7.112 11.297 1.00 33.55 H new ATOM 234 N VAL A 14 -5.628 -5.064 11.628 1.00 43.52 N ATOM 235 CA VAL A 14 -6.743 -4.678 12.485 1.00 2.25 C ATOM 236 C VAL A 14 -8.076 -4.722 11.734 1.00 24.10 C ATOM 237 O VAL A 14 -9.115 -5.047 12.315 1.00 74.33 O ATOM 238 CB VAL A 14 -6.531 -3.265 13.075 1.00 74.41 C ATOM 239 CG1 VAL A 14 -7.699 -2.860 13.959 1.00 11.43 C ATOM 240 CG2 VAL A 14 -5.231 -3.206 13.861 1.00 35.15 C ATOM 0 H VAL A 14 -5.119 -4.281 11.217 1.00 43.52 H new ATOM 0 HA VAL A 14 -6.779 -5.403 13.298 1.00 2.25 H new ATOM 0 HB VAL A 14 -6.472 -2.561 12.245 1.00 74.41 H new ATOM 0 HG11 VAL A 14 -7.523 -1.862 14.360 1.00 11.43 H new ATOM 0 HG12 VAL A 14 -8.617 -2.858 13.371 1.00 11.43 H new ATOM 0 HG13 VAL A 14 -7.796 -3.569 14.781 1.00 11.43 H new ATOM 0 HG21 VAL A 14 -5.098 -2.204 14.269 1.00 35.15 H new ATOM 0 HG22 VAL A 14 -5.266 -3.928 14.676 1.00 35.15 H new ATOM 0 HG23 VAL A 14 -4.396 -3.443 13.202 1.00 35.15 H new ATOM 250 N ASN A 15 -8.043 -4.438 10.436 1.00 73.24 N ATOM 251 CA ASN A 15 -9.279 -4.247 9.680 1.00 33.44 C ATOM 252 C ASN A 15 -9.651 -5.465 8.843 1.00 31.01 C ATOM 253 O ASN A 15 -10.516 -6.241 9.228 1.00 43.14 O ATOM 254 CB ASN A 15 -9.193 -3.010 8.774 1.00 60.03 C ATOM 255 CG ASN A 15 -9.305 -1.701 9.538 1.00 53.42 C ATOM 256 OD1 ASN A 15 -10.402 -1.203 9.783 1.00 43.11 O ATOM 257 ND2 ASN A 15 -8.171 -1.122 9.896 1.00 24.32 N ATOM 0 H ASN A 15 -7.187 -4.336 9.890 1.00 73.24 H new ATOM 0 HA ASN A 15 -10.064 -4.099 10.422 1.00 33.44 H new ATOM 0 HB2 ASN A 15 -8.247 -3.028 8.234 1.00 60.03 H new ATOM 0 HB3 ASN A 15 -9.987 -3.057 8.028 1.00 60.03 H new ATOM 0 HD21 ASN A 15 -8.188 -0.232 10.393 1.00 24.32 H new ATOM 0 HD22 ASN A 15 -7.280 -1.566 9.675 1.00 24.32 H new ATOM 264 N LYS A 16 -8.977 -5.643 7.711 1.00 61.53 N ATOM 265 CA LYS A 16 -9.412 -6.614 6.703 1.00 51.12 C ATOM 266 C LYS A 16 -9.020 -8.043 7.059 1.00 61.10 C ATOM 267 O LYS A 16 -9.553 -8.993 6.486 1.00 1.30 O ATOM 268 CB LYS A 16 -8.831 -6.268 5.327 1.00 2.12 C ATOM 269 CG LYS A 16 -9.404 -5.006 4.701 1.00 54.04 C ATOM 270 CD LYS A 16 -8.769 -3.744 5.262 1.00 5.33 C ATOM 271 CE LYS A 16 -9.443 -2.491 4.723 1.00 13.42 C ATOM 272 NZ LYS A 16 -9.462 -2.453 3.236 1.00 12.42 N ATOM 0 H LYS A 16 -8.130 -5.131 7.466 1.00 61.53 H new ATOM 0 HA LYS A 16 -10.500 -6.556 6.675 1.00 51.12 H new ATOM 0 HB2 LYS A 16 -7.751 -6.154 5.421 1.00 2.12 H new ATOM 0 HB3 LYS A 16 -9.006 -7.105 4.652 1.00 2.12 H new ATOM 0 HG2 LYS A 16 -9.253 -5.037 3.622 1.00 54.04 H new ATOM 0 HG3 LYS A 16 -10.480 -4.975 4.871 1.00 54.04 H new ATOM 0 HD2 LYS A 16 -8.836 -3.755 6.350 1.00 5.33 H new ATOM 0 HD3 LYS A 16 -7.709 -3.726 5.008 1.00 5.33 H new ATOM 0 HE2 LYS A 16 -10.465 -2.441 5.098 1.00 13.42 H new ATOM 0 HE3 LYS A 16 -8.922 -1.611 5.100 1.00 13.42 H new ATOM 0 HZ1 LYS A 16 -9.523 -1.466 2.915 1.00 12.42 H new ATOM 0 HZ2 LYS A 16 -8.591 -2.885 2.867 1.00 12.42 H new ATOM 0 HZ3 LYS A 16 -10.286 -2.982 2.886 1.00 12.42 H new ATOM 286 N LEU A 17 -8.098 -8.186 8.003 1.00 63.13 N ATOM 287 CA LEU A 17 -7.537 -9.492 8.352 1.00 22.43 C ATOM 288 C LEU A 17 -8.612 -10.564 8.597 1.00 34.24 C ATOM 289 O LEU A 17 -8.578 -11.618 7.960 1.00 62.11 O ATOM 290 CB LEU A 17 -6.635 -9.375 9.580 1.00 60.31 C ATOM 291 CG LEU A 17 -5.855 -10.641 9.927 1.00 25.44 C ATOM 292 CD1 LEU A 17 -4.808 -10.924 8.863 1.00 61.41 C ATOM 293 CD2 LEU A 17 -5.210 -10.511 11.296 1.00 34.40 C ATOM 0 H LEU A 17 -7.719 -7.410 8.546 1.00 63.13 H new ATOM 0 HA LEU A 17 -6.952 -9.815 7.491 1.00 22.43 H new ATOM 0 HB2 LEU A 17 -5.927 -8.563 9.417 1.00 60.31 H new ATOM 0 HB3 LEU A 17 -7.247 -9.096 10.438 1.00 60.31 H new ATOM 0 HG LEU A 17 -6.550 -11.480 9.957 1.00 25.44 H new ATOM 0 HD11 LEU A 17 -4.260 -11.829 9.124 1.00 61.41 H new ATOM 0 HD12 LEU A 17 -5.297 -11.061 7.899 1.00 61.41 H new ATOM 0 HD13 LEU A 17 -4.115 -10.085 8.802 1.00 61.41 H new ATOM 0 HD21 LEU A 17 -4.658 -11.423 11.526 1.00 34.40 H new ATOM 0 HD22 LEU A 17 -4.526 -9.663 11.297 1.00 34.40 H new ATOM 0 HD23 LEU A 17 -5.983 -10.354 12.049 1.00 34.40 H new ATOM 305 N PRO A 18 -9.580 -10.332 9.512 1.00 5.41 N ATOM 306 CA PRO A 18 -10.597 -11.337 9.837 1.00 52.21 C ATOM 307 C PRO A 18 -11.755 -11.388 8.837 1.00 34.04 C ATOM 308 O PRO A 18 -12.765 -12.047 9.085 1.00 53.12 O ATOM 309 CB PRO A 18 -11.105 -10.883 11.202 1.00 65.44 C ATOM 310 CG PRO A 18 -10.937 -9.402 11.201 1.00 34.32 C ATOM 311 CD PRO A 18 -9.757 -9.101 10.315 1.00 44.51 C ATOM 0 HA PRO A 18 -10.178 -12.343 9.816 1.00 52.21 H new ATOM 0 HB2 PRO A 18 -12.149 -11.162 11.348 1.00 65.44 H new ATOM 0 HB3 PRO A 18 -10.536 -11.345 12.009 1.00 65.44 H new ATOM 0 HG2 PRO A 18 -11.836 -8.911 10.828 1.00 34.32 H new ATOM 0 HG3 PRO A 18 -10.767 -9.031 12.212 1.00 34.32 H new ATOM 0 HD2 PRO A 18 -9.947 -8.236 9.680 1.00 44.51 H new ATOM 0 HD3 PRO A 18 -8.866 -8.877 10.901 1.00 44.51 H new ATOM 319 N HIS A 19 -11.615 -10.701 7.712 1.00 53.21 N ATOM 320 CA HIS A 19 -12.695 -10.645 6.730 1.00 35.53 C ATOM 321 C HIS A 19 -12.257 -11.205 5.383 1.00 72.32 C ATOM 322 O HIS A 19 -13.024 -11.904 4.714 1.00 44.32 O ATOM 323 CB HIS A 19 -13.198 -9.208 6.557 1.00 70.22 C ATOM 324 CG HIS A 19 -13.712 -8.593 7.822 1.00 10.12 C ATOM 325 ND1 HIS A 19 -14.935 -8.938 8.347 1.00 20.53 N ATOM 326 CD2 HIS A 19 -13.125 -7.681 8.629 1.00 11.14 C ATOM 327 CE1 HIS A 19 -15.059 -8.236 9.460 1.00 13.32 C ATOM 328 NE2 HIS A 19 -13.987 -7.458 9.672 1.00 11.43 N ATOM 0 H HIS A 19 -10.776 -10.180 7.456 1.00 53.21 H new ATOM 0 HA HIS A 19 -13.508 -11.264 7.108 1.00 35.53 H new ATOM 0 HB2 HIS A 19 -12.386 -8.593 6.168 1.00 70.22 H new ATOM 0 HB3 HIS A 19 -13.992 -9.198 5.810 1.00 70.22 H new ATOM 0 HD2 HIS A 19 -12.161 -7.217 8.481 1.00 11.14 H new ATOM 0 HE1 HIS A 19 -15.916 -8.283 10.116 1.00 13.32 H new ATOM 0 HE2 HIS A 19 -13.841 -6.823 10.457 1.00 11.43 H new ATOM 336 N VAL A 20 -11.031 -10.905 4.984 1.00 72.02 N ATOM 337 CA VAL A 20 -10.535 -11.325 3.682 1.00 54.31 C ATOM 338 C VAL A 20 -9.999 -12.754 3.722 1.00 43.41 C ATOM 339 O VAL A 20 -9.635 -13.271 4.782 1.00 42.12 O ATOM 340 CB VAL A 20 -9.431 -10.379 3.157 1.00 42.14 C ATOM 341 CG1 VAL A 20 -9.942 -8.950 3.079 1.00 1.20 C ATOM 342 CG2 VAL A 20 -8.184 -10.456 4.025 1.00 2.15 C ATOM 0 H VAL A 20 -10.362 -10.374 5.541 1.00 72.02 H new ATOM 0 HA VAL A 20 -11.385 -11.284 3.000 1.00 54.31 H new ATOM 0 HB VAL A 20 -9.161 -10.704 2.152 1.00 42.14 H new ATOM 0 HG11 VAL A 20 -9.150 -8.300 2.707 1.00 1.20 H new ATOM 0 HG12 VAL A 20 -10.795 -8.905 2.403 1.00 1.20 H new ATOM 0 HG13 VAL A 20 -10.248 -8.618 4.071 1.00 1.20 H new ATOM 0 HG21 VAL A 20 -7.425 -9.780 3.632 1.00 2.15 H new ATOM 0 HG22 VAL A 20 -8.433 -10.167 5.046 1.00 2.15 H new ATOM 0 HG23 VAL A 20 -7.800 -11.476 4.020 1.00 2.15 H new ATOM 352 N SER A 21 -9.968 -13.387 2.559 1.00 54.51 N ATOM 353 CA SER A 21 -9.448 -14.737 2.426 1.00 24.33 C ATOM 354 C SER A 21 -7.942 -14.703 2.196 1.00 40.45 C ATOM 355 O SER A 21 -7.373 -13.639 1.941 1.00 55.11 O ATOM 356 CB SER A 21 -10.137 -15.440 1.258 1.00 52.01 C ATOM 357 OG SER A 21 -11.545 -15.348 1.373 1.00 42.52 O ATOM 0 H SER A 21 -10.301 -12.980 1.685 1.00 54.51 H new ATOM 0 HA SER A 21 -9.648 -15.286 3.346 1.00 24.33 H new ATOM 0 HB2 SER A 21 -9.815 -14.993 0.318 1.00 52.01 H new ATOM 0 HB3 SER A 21 -9.838 -16.488 1.231 1.00 52.01 H new ATOM 0 HG SER A 21 -11.966 -15.803 0.614 1.00 42.52 H new ATOM 363 N GLU A 22 -7.297 -15.863 2.272 1.00 4.43 N ATOM 364 CA GLU A 22 -5.858 -15.939 2.053 1.00 21.22 C ATOM 365 C GLU A 22 -5.493 -15.554 0.626 1.00 71.34 C ATOM 366 O GLU A 22 -4.371 -15.124 0.363 1.00 11.42 O ATOM 367 CB GLU A 22 -5.317 -17.326 2.382 1.00 4.15 C ATOM 368 CG GLU A 22 -5.421 -17.662 3.855 1.00 24.11 C ATOM 369 CD GLU A 22 -4.602 -18.872 4.233 1.00 61.13 C ATOM 370 OE1 GLU A 22 -5.103 -20.005 4.081 1.00 43.45 O ATOM 371 OE2 GLU A 22 -3.455 -18.694 4.691 1.00 14.13 O ATOM 0 H GLU A 22 -7.744 -16.756 2.482 1.00 4.43 H new ATOM 0 HA GLU A 22 -5.393 -15.223 2.730 1.00 21.22 H new ATOM 0 HB2 GLU A 22 -5.864 -18.071 1.805 1.00 4.15 H new ATOM 0 HB3 GLU A 22 -4.274 -17.387 2.073 1.00 4.15 H new ATOM 0 HG2 GLU A 22 -5.091 -16.806 4.443 1.00 24.11 H new ATOM 0 HG3 GLU A 22 -6.466 -17.840 4.110 1.00 24.11 H new ATOM 378 N SER A 23 -6.444 -15.701 -0.287 1.00 12.51 N ATOM 379 CA SER A 23 -6.261 -15.235 -1.654 1.00 40.11 C ATOM 380 C SER A 23 -6.025 -13.722 -1.663 1.00 22.24 C ATOM 381 O SER A 23 -5.145 -13.224 -2.363 1.00 61.43 O ATOM 382 CB SER A 23 -7.490 -15.587 -2.491 1.00 13.43 C ATOM 383 OG SER A 23 -7.831 -16.957 -2.339 1.00 30.55 O ATOM 0 H SER A 23 -7.348 -16.138 -0.106 1.00 12.51 H new ATOM 0 HA SER A 23 -5.390 -15.726 -2.087 1.00 40.11 H new ATOM 0 HB2 SER A 23 -8.331 -14.963 -2.189 1.00 13.43 H new ATOM 0 HB3 SER A 23 -7.294 -15.371 -3.541 1.00 13.43 H new ATOM 0 HG SER A 23 -8.621 -17.160 -2.882 1.00 30.55 H new ATOM 389 N THR A 24 -6.801 -13.005 -0.855 1.00 11.52 N ATOM 390 CA THR A 24 -6.651 -11.564 -0.722 1.00 3.23 C ATOM 391 C THR A 24 -5.376 -11.228 0.054 1.00 32.20 C ATOM 392 O THR A 24 -4.724 -10.215 -0.207 1.00 31.43 O ATOM 393 CB THR A 24 -7.864 -10.947 0.002 1.00 1.23 C ATOM 394 OG1 THR A 24 -9.079 -11.457 -0.566 1.00 54.40 O ATOM 395 CG2 THR A 24 -7.846 -9.427 -0.105 1.00 2.35 C ATOM 0 H THR A 24 -7.543 -13.404 -0.281 1.00 11.52 H new ATOM 0 HA THR A 24 -6.587 -11.144 -1.726 1.00 3.23 H new ATOM 0 HB THR A 24 -7.810 -11.219 1.056 1.00 1.23 H new ATOM 0 HG1 THR A 24 -9.847 -11.064 -0.102 1.00 54.40 H new ATOM 0 HG21 THR A 24 -8.712 -9.015 0.414 1.00 2.35 H new ATOM 0 HG22 THR A 24 -6.934 -9.041 0.350 1.00 2.35 H new ATOM 0 HG23 THR A 24 -7.880 -9.136 -1.155 1.00 2.35 H new ATOM 403 N LYS A 25 -5.024 -12.095 1.005 1.00 34.23 N ATOM 404 CA LYS A 25 -3.804 -11.922 1.790 1.00 30.23 C ATOM 405 C LYS A 25 -2.584 -11.898 0.880 1.00 73.12 C ATOM 406 O LYS A 25 -1.639 -11.156 1.123 1.00 11.13 O ATOM 407 CB LYS A 25 -3.649 -13.039 2.828 1.00 40.40 C ATOM 408 CG LYS A 25 -4.785 -13.098 3.834 1.00 23.12 C ATOM 409 CD LYS A 25 -4.544 -14.132 4.926 1.00 41.20 C ATOM 410 CE LYS A 25 -3.449 -13.710 5.902 1.00 41.04 C ATOM 411 NZ LYS A 25 -2.076 -13.977 5.384 1.00 61.34 N ATOM 0 H LYS A 25 -5.567 -12.923 1.249 1.00 34.23 H new ATOM 0 HA LYS A 25 -3.881 -10.970 2.314 1.00 30.23 H new ATOM 0 HB2 LYS A 25 -3.583 -13.997 2.311 1.00 40.40 H new ATOM 0 HB3 LYS A 25 -2.709 -12.899 3.362 1.00 40.40 H new ATOM 0 HG2 LYS A 25 -4.914 -12.116 4.290 1.00 23.12 H new ATOM 0 HG3 LYS A 25 -5.714 -13.333 3.315 1.00 23.12 H new ATOM 0 HD2 LYS A 25 -5.471 -14.298 5.475 1.00 41.20 H new ATOM 0 HD3 LYS A 25 -4.271 -15.082 4.468 1.00 41.20 H new ATOM 0 HE2 LYS A 25 -3.551 -12.646 6.116 1.00 41.04 H new ATOM 0 HE3 LYS A 25 -3.586 -14.240 6.845 1.00 41.04 H new ATOM 0 HZ1 LYS A 25 -1.476 -14.330 6.157 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 -2.123 -14.690 4.628 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 -1.671 -13.097 5.005 1.00 61.34 H new ATOM 425 N ARG A 26 -2.626 -12.705 -0.176 1.00 43.20 N ATOM 426 CA ARG A 26 -1.539 -12.756 -1.151 1.00 44.31 C ATOM 427 C ARG A 26 -1.309 -11.381 -1.768 1.00 31.41 C ATOM 428 O ARG A 26 -0.171 -10.947 -1.926 1.00 1.50 O ATOM 429 CB ARG A 26 -1.852 -13.781 -2.244 1.00 63.51 C ATOM 430 CG ARG A 26 -2.045 -15.188 -1.710 1.00 61.25 C ATOM 431 CD ARG A 26 -2.490 -16.150 -2.797 1.00 1.14 C ATOM 432 NE ARG A 26 -2.816 -17.468 -2.254 1.00 72.23 N ATOM 433 CZ ARG A 26 -3.374 -18.452 -2.958 1.00 33.14 C ATOM 434 NH1 ARG A 26 -3.654 -18.285 -4.247 1.00 42.13 N ATOM 435 NH2 ARG A 26 -3.644 -19.611 -2.369 1.00 72.33 N ATOM 0 H ARG A 26 -3.403 -13.334 -0.379 1.00 43.20 H new ATOM 0 HA ARG A 26 -0.628 -13.061 -0.636 1.00 44.31 H new ATOM 0 HB2 ARG A 26 -2.754 -13.474 -2.773 1.00 63.51 H new ATOM 0 HB3 ARG A 26 -1.041 -13.784 -2.972 1.00 63.51 H new ATOM 0 HG2 ARG A 26 -1.111 -15.541 -1.272 1.00 61.25 H new ATOM 0 HG3 ARG A 26 -2.787 -15.175 -0.911 1.00 61.25 H new ATOM 0 HD2 ARG A 26 -3.361 -15.742 -3.309 1.00 1.14 H new ATOM 0 HD3 ARG A 26 -1.700 -16.249 -3.541 1.00 1.14 H new ATOM 0 HE ARG A 26 -2.602 -17.646 -1.273 1.00 72.23 H new ATOM 0 HH11 ARG A 26 -3.442 -17.398 -4.704 1.00 42.13 H new ATOM 0 HH12 ARG A 26 -4.081 -19.044 -4.779 1.00 42.13 H new ATOM 0 HH21 ARG A 26 -3.424 -19.745 -1.382 1.00 72.33 H new ATOM 0 HH22 ARG A 26 -4.071 -20.367 -2.904 1.00 72.33 H new ATOM 449 N HIS A 27 -2.399 -10.693 -2.091 1.00 15.43 N ATOM 450 CA HIS A 27 -2.317 -9.354 -2.664 1.00 54.31 C ATOM 451 C HIS A 27 -1.780 -8.361 -1.641 1.00 42.02 C ATOM 452 O HIS A 27 -0.861 -7.597 -1.932 1.00 3.10 O ATOM 453 CB HIS A 27 -3.685 -8.889 -3.171 1.00 60.32 C ATOM 454 CG HIS A 27 -4.116 -9.543 -4.447 1.00 75.42 C ATOM 455 ND1 HIS A 27 -3.807 -8.993 -5.669 1.00 31.43 N ATOM 456 CD2 HIS A 27 -4.830 -10.679 -4.641 1.00 4.22 C ATOM 457 CE1 HIS A 27 -4.333 -9.799 -6.573 1.00 22.13 C ATOM 458 NE2 HIS A 27 -4.961 -10.833 -5.997 1.00 12.10 N ATOM 0 H HIS A 27 -3.350 -11.040 -1.966 1.00 15.43 H new ATOM 0 HA HIS A 27 -1.629 -9.397 -3.509 1.00 54.31 H new ATOM 0 HB2 HIS A 27 -4.432 -9.087 -2.403 1.00 60.32 H new ATOM 0 HB3 HIS A 27 -3.658 -7.809 -3.319 1.00 60.32 H new ATOM 0 HD2 HIS A 27 -5.220 -11.335 -3.876 1.00 4.22 H new ATOM 0 HE1 HIS A 27 -4.266 -9.645 -7.640 1.00 22.13 H new ATOM 0 HE2 HIS A 27 -5.445 -11.592 -6.477 1.00 12.10 H new ATOM 466 N TYR A 28 -2.349 -8.384 -0.439 1.00 5.10 N ATOM 467 CA TYR A 28 -1.938 -7.467 0.619 1.00 2.24 C ATOM 468 C TYR A 28 -0.481 -7.681 1.016 1.00 1.14 C ATOM 469 O TYR A 28 0.258 -6.718 1.212 1.00 14.55 O ATOM 470 CB TYR A 28 -2.846 -7.608 1.845 1.00 52.32 C ATOM 471 CG TYR A 28 -3.949 -6.572 1.909 1.00 23.14 C ATOM 472 CD1 TYR A 28 -3.680 -5.281 2.347 1.00 1.22 C ATOM 473 CD2 TYR A 28 -5.254 -6.882 1.545 1.00 32.15 C ATOM 474 CE1 TYR A 28 -4.678 -4.328 2.420 1.00 30.52 C ATOM 475 CE2 TYR A 28 -6.259 -5.932 1.612 1.00 12.30 C ATOM 476 CZ TYR A 28 -5.964 -4.657 2.052 1.00 62.20 C ATOM 477 OH TYR A 28 -6.958 -3.702 2.122 1.00 1.11 O ATOM 0 H TYR A 28 -3.095 -9.027 -0.174 1.00 5.10 H new ATOM 0 HA TYR A 28 -2.033 -6.455 0.225 1.00 2.24 H new ATOM 0 HB2 TYR A 28 -3.293 -8.602 1.842 1.00 52.32 H new ATOM 0 HB3 TYR A 28 -2.238 -7.534 2.747 1.00 52.32 H new ATOM 0 HD1 TYR A 28 -2.673 -5.018 2.635 1.00 1.22 H new ATOM 0 HD2 TYR A 28 -5.488 -7.880 1.204 1.00 32.15 H new ATOM 0 HE1 TYR A 28 -4.451 -3.330 2.764 1.00 30.52 H new ATOM 0 HE2 TYR A 28 -7.268 -6.187 1.322 1.00 12.30 H new ATOM 0 HH TYR A 28 -6.617 -2.908 2.584 1.00 1.11 H new ATOM 487 N GLU A 29 -0.064 -8.935 1.119 1.00 61.34 N ATOM 488 CA GLU A 29 1.303 -9.247 1.515 1.00 4.32 C ATOM 489 C GLU A 29 2.285 -8.971 0.379 1.00 73.01 C ATOM 490 O GLU A 29 3.424 -8.575 0.627 1.00 12.42 O ATOM 491 CB GLU A 29 1.415 -10.695 1.993 1.00 75.31 C ATOM 492 CG GLU A 29 0.626 -10.965 3.267 1.00 13.43 C ATOM 493 CD GLU A 29 0.823 -12.368 3.800 1.00 44.20 C ATOM 494 OE1 GLU A 29 1.889 -12.632 4.400 1.00 52.32 O ATOM 495 OE2 GLU A 29 -0.082 -13.213 3.625 1.00 12.14 O ATOM 0 H GLU A 29 -0.649 -9.750 0.935 1.00 61.34 H new ATOM 0 HA GLU A 29 1.565 -8.594 2.347 1.00 4.32 H new ATOM 0 HB2 GLU A 29 1.061 -11.360 1.205 1.00 75.31 H new ATOM 0 HB3 GLU A 29 2.464 -10.935 2.165 1.00 75.31 H new ATOM 0 HG2 GLU A 29 0.924 -10.247 4.031 1.00 13.43 H new ATOM 0 HG3 GLU A 29 -0.434 -10.802 3.072 1.00 13.43 H new ATOM 502 N SER A 30 1.849 -9.171 -0.864 1.00 70.43 N ATOM 503 CA SER A 30 2.664 -8.814 -2.021 1.00 22.03 C ATOM 504 C SER A 30 2.843 -7.298 -2.060 1.00 15.13 C ATOM 505 O SER A 30 3.942 -6.785 -2.286 1.00 4.40 O ATOM 506 CB SER A 30 2.019 -9.318 -3.320 1.00 0.13 C ATOM 507 OG SER A 30 2.836 -9.049 -4.451 1.00 71.34 O ATOM 0 H SER A 30 0.941 -9.576 -1.094 1.00 70.43 H new ATOM 0 HA SER A 30 3.640 -9.290 -1.932 1.00 22.03 H new ATOM 0 HB2 SER A 30 1.842 -10.391 -3.246 1.00 0.13 H new ATOM 0 HB3 SER A 30 1.047 -8.843 -3.452 1.00 0.13 H new ATOM 0 HG SER A 30 2.396 -9.384 -5.260 1.00 71.34 H new ATOM 513 N ALA A 31 1.754 -6.582 -1.812 1.00 51.45 N ATOM 514 CA ALA A 31 1.803 -5.136 -1.700 1.00 52.23 C ATOM 515 C ALA A 31 2.760 -4.729 -0.589 1.00 1.22 C ATOM 516 O ALA A 31 3.625 -3.876 -0.776 1.00 31.04 O ATOM 517 CB ALA A 31 0.412 -4.580 -1.430 1.00 64.25 C ATOM 0 H ALA A 31 0.825 -6.983 -1.685 1.00 51.45 H new ATOM 0 HA ALA A 31 2.165 -4.723 -2.642 1.00 52.23 H new ATOM 0 HB1 ALA A 31 0.464 -3.494 -1.348 1.00 64.25 H new ATOM 0 HB2 ALA A 31 -0.254 -4.851 -2.250 1.00 64.25 H new ATOM 0 HB3 ALA A 31 0.028 -4.996 -0.498 1.00 64.25 H new ATOM 523 N TYR A 32 2.613 -5.382 0.557 1.00 1.32 N ATOM 524 CA TYR A 32 3.391 -5.061 1.742 1.00 15.41 C ATOM 525 C TYR A 32 4.884 -5.334 1.548 1.00 75.14 C ATOM 526 O TYR A 32 5.714 -4.541 1.987 1.00 63.31 O ATOM 527 CB TYR A 32 2.863 -5.841 2.948 1.00 62.01 C ATOM 528 CG TYR A 32 3.638 -5.585 4.219 1.00 60.25 C ATOM 529 CD1 TYR A 32 3.691 -4.315 4.777 1.00 3.40 C ATOM 530 CD2 TYR A 32 4.317 -6.611 4.859 1.00 61.40 C ATOM 531 CE1 TYR A 32 4.402 -4.076 5.936 1.00 2.11 C ATOM 532 CE2 TYR A 32 5.027 -6.379 6.020 1.00 34.24 C ATOM 533 CZ TYR A 32 5.068 -5.110 6.554 1.00 73.12 C ATOM 534 OH TYR A 32 5.782 -4.876 7.709 1.00 61.33 O ATOM 0 H TYR A 32 1.952 -6.147 0.689 1.00 1.32 H new ATOM 0 HA TYR A 32 3.279 -3.992 1.923 1.00 15.41 H new ATOM 0 HB2 TYR A 32 1.818 -5.579 3.111 1.00 62.01 H new ATOM 0 HB3 TYR A 32 2.893 -6.907 2.722 1.00 62.01 H new ATOM 0 HD1 TYR A 32 3.168 -3.501 4.297 1.00 3.40 H new ATOM 0 HD2 TYR A 32 4.290 -7.607 4.443 1.00 61.40 H new ATOM 0 HE1 TYR A 32 4.436 -3.082 6.356 1.00 2.11 H new ATOM 0 HE2 TYR A 32 5.548 -7.189 6.508 1.00 34.24 H new ATOM 0 HH TYR A 32 6.191 -5.712 8.016 1.00 61.33 H new ATOM 544 N LYS A 33 5.233 -6.445 0.901 1.00 24.33 N ATOM 545 CA LYS A 33 6.643 -6.778 0.707 1.00 21.14 C ATOM 546 C LYS A 33 7.330 -5.733 -0.169 1.00 55.45 C ATOM 547 O LYS A 33 8.485 -5.380 0.067 1.00 62.41 O ATOM 548 CB LYS A 33 6.831 -8.180 0.109 1.00 24.33 C ATOM 549 CG LYS A 33 6.212 -8.369 -1.265 1.00 65.43 C ATOM 550 CD LYS A 33 6.751 -9.610 -1.955 1.00 25.21 C ATOM 551 CE LYS A 33 8.226 -9.454 -2.304 1.00 4.34 C ATOM 552 NZ LYS A 33 8.770 -10.655 -2.988 1.00 11.20 N ATOM 0 H LYS A 33 4.574 -7.118 0.509 1.00 24.33 H new ATOM 0 HA LYS A 33 7.109 -6.777 1.693 1.00 21.14 H new ATOM 0 HB2 LYS A 33 7.898 -8.393 0.045 1.00 24.33 H new ATOM 0 HB3 LYS A 33 6.400 -8.913 0.791 1.00 24.33 H new ATOM 0 HG2 LYS A 33 5.129 -8.447 -1.169 1.00 65.43 H new ATOM 0 HG3 LYS A 33 6.416 -7.493 -1.880 1.00 65.43 H new ATOM 0 HD2 LYS A 33 6.618 -10.476 -1.306 1.00 25.21 H new ATOM 0 HD3 LYS A 33 6.179 -9.801 -2.863 1.00 25.21 H new ATOM 0 HE2 LYS A 33 8.356 -8.582 -2.946 1.00 4.34 H new ATOM 0 HE3 LYS A 33 8.795 -9.267 -1.394 1.00 4.34 H new ATOM 0 HZ1 LYS A 33 9.776 -10.504 -3.206 1.00 11.20 H new ATOM 0 HZ2 LYS A 33 8.671 -11.483 -2.367 1.00 11.20 H new ATOM 0 HZ3 LYS A 33 8.245 -10.820 -3.871 1.00 11.20 H new ATOM 566 N HIS A 34 6.616 -5.230 -1.170 1.00 24.15 N ATOM 567 CA HIS A 34 7.160 -4.184 -2.030 1.00 11.42 C ATOM 568 C HIS A 34 7.199 -2.850 -1.296 1.00 3.40 C ATOM 569 O HIS A 34 8.127 -2.057 -1.479 1.00 73.32 O ATOM 570 CB HIS A 34 6.356 -4.064 -3.323 1.00 44.45 C ATOM 571 CG HIS A 34 6.617 -5.183 -4.282 1.00 32.01 C ATOM 572 ND1 HIS A 34 7.735 -5.255 -5.080 1.00 74.13 N ATOM 573 CD2 HIS A 34 5.884 -6.290 -4.566 1.00 72.55 C ATOM 574 CE1 HIS A 34 7.649 -6.372 -5.809 1.00 25.31 C ATOM 575 NE2 HIS A 34 6.545 -7.038 -5.536 1.00 24.21 N ATOM 0 H HIS A 34 5.668 -5.525 -1.405 1.00 24.15 H new ATOM 0 HA HIS A 34 8.181 -4.462 -2.292 1.00 11.42 H new ATOM 0 HB2 HIS A 34 5.293 -4.040 -3.082 1.00 44.45 H new ATOM 0 HB3 HIS A 34 6.595 -3.116 -3.806 1.00 44.45 H new ATOM 0 HD2 HIS A 34 4.939 -6.549 -4.112 1.00 72.55 H new ATOM 0 HE1 HIS A 34 8.389 -6.688 -6.529 1.00 25.31 H new ATOM 0 HE2 HIS A 34 6.239 -7.919 -5.950 1.00 24.21 H new ATOM 583 N ILE A 35 6.194 -2.605 -0.465 1.00 32.52 N ATOM 584 CA ILE A 35 6.174 -1.417 0.379 1.00 3.32 C ATOM 585 C ILE A 35 7.350 -1.436 1.353 1.00 50.22 C ATOM 586 O ILE A 35 8.060 -0.448 1.492 1.00 31.44 O ATOM 587 CB ILE A 35 4.848 -1.299 1.160 1.00 32.31 C ATOM 588 CG1 ILE A 35 3.698 -0.980 0.199 1.00 20.54 C ATOM 589 CG2 ILE A 35 4.951 -0.239 2.251 1.00 13.22 C ATOM 590 CD1 ILE A 35 2.339 -0.951 0.865 1.00 24.23 C ATOM 0 H ILE A 35 5.382 -3.213 -0.357 1.00 32.52 H new ATOM 0 HA ILE A 35 6.261 -0.549 -0.274 1.00 3.32 H new ATOM 0 HB ILE A 35 4.644 -2.255 1.643 1.00 32.31 H new ATOM 0 HG12 ILE A 35 3.884 -0.013 -0.268 1.00 20.54 H new ATOM 0 HG13 ILE A 35 3.686 -1.723 -0.599 1.00 20.54 H new ATOM 0 HG21 ILE A 35 4.004 -0.175 2.787 1.00 13.22 H new ATOM 0 HG22 ILE A 35 5.744 -0.510 2.948 1.00 13.22 H new ATOM 0 HG23 ILE A 35 5.178 0.727 1.800 1.00 13.22 H new ATOM 0 HD11 ILE A 35 1.575 -0.719 0.123 1.00 24.23 H new ATOM 0 HD12 ILE A 35 2.130 -1.925 1.309 1.00 24.23 H new ATOM 0 HD13 ILE A 35 2.332 -0.188 1.644 1.00 24.23 H new ATOM 602 N LYS A 36 7.561 -2.577 1.999 1.00 40.21 N ATOM 603 CA LYS A 36 8.663 -2.747 2.943 1.00 71.34 C ATOM 604 C LYS A 36 10.009 -2.595 2.237 1.00 4.03 C ATOM 605 O LYS A 36 10.994 -2.174 2.841 1.00 40.44 O ATOM 606 CB LYS A 36 8.576 -4.127 3.610 1.00 74.41 C ATOM 607 CG LYS A 36 9.684 -4.398 4.620 1.00 65.21 C ATOM 608 CD LYS A 36 9.656 -5.833 5.121 1.00 43.44 C ATOM 609 CE LYS A 36 8.373 -6.142 5.871 1.00 70.12 C ATOM 610 NZ LYS A 36 8.333 -7.544 6.362 1.00 24.40 N ATOM 0 H LYS A 36 6.978 -3.406 1.885 1.00 40.21 H new ATOM 0 HA LYS A 36 8.583 -1.973 3.706 1.00 71.34 H new ATOM 0 HB2 LYS A 36 7.612 -4.217 4.111 1.00 74.41 H new ATOM 0 HB3 LYS A 36 8.607 -4.895 2.837 1.00 74.41 H new ATOM 0 HG2 LYS A 36 10.651 -4.192 4.162 1.00 65.21 H new ATOM 0 HG3 LYS A 36 9.580 -3.717 5.464 1.00 65.21 H new ATOM 0 HD2 LYS A 36 9.757 -6.515 4.277 1.00 43.44 H new ATOM 0 HD3 LYS A 36 10.510 -6.007 5.775 1.00 43.44 H new ATOM 0 HE2 LYS A 36 8.275 -5.460 6.716 1.00 70.12 H new ATOM 0 HE3 LYS A 36 7.520 -5.964 5.217 1.00 70.12 H new ATOM 0 HZ1 LYS A 36 7.447 -7.704 6.882 1.00 24.40 H new ATOM 0 HZ2 LYS A 36 8.383 -8.196 5.554 1.00 24.40 H new ATOM 0 HZ3 LYS A 36 9.141 -7.714 6.994 1.00 24.40 H new ATOM 624 N ASP A 37 10.038 -2.940 0.957 1.00 72.33 N ATOM 625 CA ASP A 37 11.268 -2.893 0.174 1.00 25.31 C ATOM 626 C ASP A 37 11.600 -1.464 -0.253 1.00 24.41 C ATOM 627 O ASP A 37 12.757 -1.048 -0.213 1.00 14.51 O ATOM 628 CB ASP A 37 11.138 -3.801 -1.050 1.00 61.43 C ATOM 629 CG ASP A 37 12.398 -3.836 -1.887 1.00 1.42 C ATOM 630 OD1 ASP A 37 13.391 -4.454 -1.447 1.00 25.31 O ATOM 631 OD2 ASP A 37 12.389 -3.272 -3.001 1.00 71.13 O ATOM 0 H ASP A 37 9.221 -3.257 0.436 1.00 72.33 H new ATOM 0 HA ASP A 37 12.087 -3.249 0.799 1.00 25.31 H new ATOM 0 HB2 ASP A 37 10.896 -4.812 -0.723 1.00 61.43 H new ATOM 0 HB3 ASP A 37 10.307 -3.457 -1.666 1.00 61.43 H new ATOM 636 N HIS A 38 10.583 -0.710 -0.655 1.00 5.32 N ATOM 637 CA HIS A 38 10.781 0.677 -1.078 1.00 60.43 C ATOM 638 C HIS A 38 10.808 1.625 0.115 1.00 71.24 C ATOM 639 O HIS A 38 11.643 2.527 0.186 1.00 74.11 O ATOM 640 CB HIS A 38 9.682 1.115 -2.049 1.00 54.10 C ATOM 641 CG HIS A 38 9.944 0.745 -3.475 1.00 14.11 C ATOM 642 ND1 HIS A 38 9.947 1.668 -4.501 1.00 23.53 N ATOM 643 CD2 HIS A 38 10.201 -0.453 -4.051 1.00 45.02 C ATOM 644 CE1 HIS A 38 10.190 1.054 -5.640 1.00 21.32 C ATOM 645 NE2 HIS A 38 10.349 -0.234 -5.396 1.00 20.40 N ATOM 0 H HIS A 38 9.616 -1.031 -0.698 1.00 5.32 H new ATOM 0 HA HIS A 38 11.746 0.723 -1.583 1.00 60.43 H new ATOM 0 HB2 HIS A 38 8.737 0.669 -1.737 1.00 54.10 H new ATOM 0 HB3 HIS A 38 9.562 2.196 -1.981 1.00 54.10 H new ATOM 0 HD2 HIS A 38 10.276 -1.404 -3.545 1.00 45.02 H new ATOM 0 HE1 HIS A 38 10.249 1.524 -6.610 1.00 21.32 H new ATOM 0 HE2 HIS A 38 10.549 -0.950 -6.095 1.00 20.40 H new ATOM 654 N PHE A 39 9.888 1.421 1.043 1.00 54.34 N ATOM 655 CA PHE A 39 9.762 2.285 2.201 1.00 24.52 C ATOM 656 C PHE A 39 10.081 1.505 3.467 1.00 43.34 C ATOM 657 O PHE A 39 9.195 0.957 4.122 1.00 22.44 O ATOM 658 CB PHE A 39 8.349 2.871 2.273 1.00 54.14 C ATOM 659 CG PHE A 39 7.891 3.494 0.981 1.00 63.45 C ATOM 660 CD1 PHE A 39 8.455 4.675 0.524 1.00 60.52 C ATOM 661 CD2 PHE A 39 6.897 2.895 0.222 1.00 12.32 C ATOM 662 CE1 PHE A 39 8.036 5.248 -0.663 1.00 52.32 C ATOM 663 CE2 PHE A 39 6.473 3.463 -0.965 1.00 14.34 C ATOM 664 CZ PHE A 39 7.043 4.640 -1.409 1.00 40.22 C ATOM 0 H PHE A 39 9.213 0.657 1.014 1.00 54.34 H new ATOM 0 HA PHE A 39 10.471 3.108 2.109 1.00 24.52 H new ATOM 0 HB2 PHE A 39 7.651 2.082 2.554 1.00 54.14 H new ATOM 0 HB3 PHE A 39 8.316 3.623 3.062 1.00 54.14 H new ATOM 0 HD1 PHE A 39 9.231 5.154 1.102 1.00 60.52 H new ATOM 0 HD2 PHE A 39 6.449 1.973 0.562 1.00 12.32 H new ATOM 0 HE1 PHE A 39 8.484 6.169 -1.007 1.00 52.32 H new ATOM 0 HE2 PHE A 39 5.696 2.986 -1.545 1.00 14.34 H new ATOM 0 HZ PHE A 39 6.714 5.085 -2.337 1.00 40.22 H new ATOM 674 N ARG A 40 11.361 1.450 3.796 1.00 62.12 N ATOM 675 CA ARG A 40 11.835 0.650 4.915 1.00 62.32 C ATOM 676 C ARG A 40 11.660 1.393 6.229 1.00 61.21 C ATOM 677 O ARG A 40 11.290 0.805 7.246 1.00 12.22 O ATOM 678 CB ARG A 40 13.308 0.284 4.720 1.00 23.14 C ATOM 679 CG ARG A 40 13.572 -0.542 3.472 1.00 64.33 C ATOM 680 CD ARG A 40 15.030 -0.954 3.368 1.00 10.42 C ATOM 681 NE ARG A 40 15.448 -1.799 4.488 1.00 60.13 N ATOM 682 CZ ARG A 40 16.540 -2.566 4.475 1.00 3.42 C ATOM 683 NH1 ARG A 40 17.301 -2.627 3.389 1.00 14.11 N ATOM 684 NH2 ARG A 40 16.865 -3.278 5.546 1.00 5.41 N ATOM 0 H ARG A 40 12.096 1.954 3.300 1.00 62.12 H new ATOM 0 HA ARG A 40 11.240 -0.262 4.951 1.00 62.32 H new ATOM 0 HB2 ARG A 40 13.897 1.200 4.670 1.00 23.14 H new ATOM 0 HB3 ARG A 40 13.654 -0.271 5.592 1.00 23.14 H new ATOM 0 HG2 ARG A 40 12.943 -1.432 3.485 1.00 64.33 H new ATOM 0 HG3 ARG A 40 13.293 0.033 2.589 1.00 64.33 H new ATOM 0 HD2 ARG A 40 15.188 -1.490 2.432 1.00 10.42 H new ATOM 0 HD3 ARG A 40 15.656 -0.062 3.335 1.00 10.42 H new ATOM 0 HE ARG A 40 14.870 -1.802 5.328 1.00 60.13 H new ATOM 0 HH11 ARG A 40 17.052 -2.086 2.561 1.00 14.11 H new ATOM 0 HH12 ARG A 40 18.135 -3.214 3.383 1.00 14.11 H new ATOM 0 HH21 ARG A 40 16.280 -3.240 6.381 1.00 5.41 H new ATOM 0 HH22 ARG A 40 17.700 -3.864 5.535 1.00 5.41 H new ATOM 698 N HIS A 41 11.932 2.690 6.208 1.00 4.33 N ATOM 699 CA HIS A 41 11.830 3.501 7.413 1.00 62.14 C ATOM 700 C HIS A 41 11.132 4.820 7.102 1.00 31.30 C ATOM 701 O HIS A 41 11.268 5.801 7.829 1.00 2.00 O ATOM 702 CB HIS A 41 13.225 3.751 7.994 1.00 14.34 C ATOM 703 CG HIS A 41 13.276 3.624 9.482 1.00 52.12 C ATOM 704 ND1 HIS A 41 13.615 4.663 10.318 1.00 12.45 N ATOM 705 CD2 HIS A 41 13.034 2.562 10.283 1.00 75.22 C ATOM 706 CE1 HIS A 41 13.578 4.247 11.569 1.00 3.12 C ATOM 707 NE2 HIS A 41 13.228 2.975 11.575 1.00 54.12 N ATOM 0 H HIS A 41 12.223 3.201 5.375 1.00 4.33 H new ATOM 0 HA HIS A 41 11.236 2.966 8.154 1.00 62.14 H new ATOM 0 HB2 HIS A 41 13.927 3.045 7.552 1.00 14.34 H new ATOM 0 HB3 HIS A 41 13.556 4.750 7.710 1.00 14.34 H new ATOM 0 HD2 HIS A 41 12.742 1.572 9.964 1.00 75.22 H new ATOM 0 HE1 HIS A 41 13.797 4.846 12.441 1.00 3.12 H new ATOM 0 HE2 HIS A 41 13.119 2.394 12.406 1.00 54.12 H new ATOM 716 N LYS A 42 10.361 4.811 6.027 1.00 23.13 N ATOM 717 CA LYS A 42 9.647 5.996 5.566 1.00 62.24 C ATOM 718 C LYS A 42 8.402 6.230 6.418 1.00 54.12 C ATOM 719 O LYS A 42 7.597 5.318 6.598 1.00 50.02 O ATOM 720 CB LYS A 42 9.227 5.793 4.110 1.00 64.21 C ATOM 721 CG LYS A 42 9.166 7.067 3.287 1.00 34.12 C ATOM 722 CD LYS A 42 10.530 7.420 2.724 1.00 53.42 C ATOM 723 CE LYS A 42 10.430 8.508 1.668 1.00 41.03 C ATOM 724 NZ LYS A 42 11.731 8.744 0.997 1.00 55.40 N ATOM 0 H LYS A 42 10.211 3.985 5.448 1.00 23.13 H new ATOM 0 HA LYS A 42 10.304 6.862 5.651 1.00 62.24 H new ATOM 0 HB2 LYS A 42 9.926 5.103 3.637 1.00 64.21 H new ATOM 0 HB3 LYS A 42 8.247 5.317 4.091 1.00 64.21 H new ATOM 0 HG2 LYS A 42 8.454 6.943 2.471 1.00 34.12 H new ATOM 0 HG3 LYS A 42 8.802 7.887 3.906 1.00 34.12 H new ATOM 0 HD2 LYS A 42 11.183 7.753 3.531 1.00 53.42 H new ATOM 0 HD3 LYS A 42 10.987 6.531 2.290 1.00 53.42 H new ATOM 0 HE2 LYS A 42 9.684 8.226 0.925 1.00 41.03 H new ATOM 0 HE3 LYS A 42 10.086 9.433 2.130 1.00 41.03 H new ATOM 0 HZ1 LYS A 42 11.623 9.493 0.283 1.00 55.40 H new ATOM 0 HZ2 LYS A 42 12.437 9.037 1.702 1.00 55.40 H new ATOM 0 HZ3 LYS A 42 12.047 7.868 0.534 1.00 55.40 H new ATOM 738 N LEU A 43 8.248 7.442 6.941 1.00 63.02 N ATOM 739 CA LEU A 43 7.067 7.785 7.732 1.00 21.25 C ATOM 740 C LEU A 43 5.831 7.822 6.843 1.00 64.22 C ATOM 741 O LEU A 43 5.946 7.943 5.623 1.00 73.51 O ATOM 742 CB LEU A 43 7.239 9.147 8.406 1.00 64.44 C ATOM 743 CG LEU A 43 8.377 9.244 9.422 1.00 55.12 C ATOM 744 CD1 LEU A 43 8.449 10.652 9.988 1.00 74.55 C ATOM 745 CD2 LEU A 43 8.190 8.225 10.539 1.00 55.22 C ATOM 0 H LEU A 43 8.921 8.201 6.833 1.00 63.02 H new ATOM 0 HA LEU A 43 6.945 7.021 8.500 1.00 21.25 H new ATOM 0 HB2 LEU A 43 7.402 9.897 7.632 1.00 64.44 H new ATOM 0 HB3 LEU A 43 6.306 9.404 8.907 1.00 64.44 H new ATOM 0 HG LEU A 43 9.317 9.021 8.916 1.00 55.12 H new ATOM 0 HD11 LEU A 43 9.262 10.712 10.711 1.00 74.55 H new ATOM 0 HD12 LEU A 43 8.629 11.360 9.179 1.00 74.55 H new ATOM 0 HD13 LEU A 43 7.507 10.895 10.480 1.00 74.55 H new ATOM 0 HD21 LEU A 43 9.011 8.311 11.251 1.00 55.22 H new ATOM 0 HD22 LEU A 43 7.246 8.414 11.049 1.00 55.22 H new ATOM 0 HD23 LEU A 43 8.180 7.220 10.117 1.00 55.22 H new ATOM 757 N LEU A 44 4.651 7.735 7.451 1.00 21.11 N ATOM 758 CA LEU A 44 3.406 7.783 6.692 1.00 64.25 C ATOM 759 C LEU A 44 3.233 9.153 6.030 1.00 51.12 C ATOM 760 O LEU A 44 2.654 9.265 4.954 1.00 62.41 O ATOM 761 CB LEU A 44 2.216 7.478 7.609 1.00 10.14 C ATOM 762 CG LEU A 44 0.858 7.386 6.914 1.00 24.24 C ATOM 763 CD1 LEU A 44 0.795 6.151 6.035 1.00 4.31 C ATOM 764 CD2 LEU A 44 -0.267 7.372 7.935 1.00 61.11 C ATOM 0 H LEU A 44 4.531 7.632 8.459 1.00 21.11 H new ATOM 0 HA LEU A 44 3.447 7.026 5.909 1.00 64.25 H new ATOM 0 HB2 LEU A 44 2.407 6.535 8.122 1.00 10.14 H new ATOM 0 HB3 LEU A 44 2.161 8.252 8.374 1.00 10.14 H new ATOM 0 HG LEU A 44 0.735 8.266 6.283 1.00 24.24 H new ATOM 0 HD11 LEU A 44 -0.179 6.101 5.548 1.00 4.31 H new ATOM 0 HD12 LEU A 44 1.578 6.203 5.278 1.00 4.31 H new ATOM 0 HD13 LEU A 44 0.941 5.261 6.647 1.00 4.31 H new ATOM 0 HD21 LEU A 44 -1.225 7.306 7.420 1.00 61.11 H new ATOM 0 HD22 LEU A 44 -0.150 6.512 8.594 1.00 61.11 H new ATOM 0 HD23 LEU A 44 -0.234 8.288 8.525 1.00 61.11 H new ATOM 776 N LYS A 45 3.761 10.187 6.677 1.00 43.31 N ATOM 777 CA LYS A 45 3.674 11.548 6.154 1.00 0.12 C ATOM 778 C LYS A 45 4.792 11.836 5.158 1.00 54.02 C ATOM 779 O LYS A 45 4.826 12.904 4.549 1.00 24.22 O ATOM 780 CB LYS A 45 3.744 12.568 7.293 1.00 43.32 C ATOM 781 CG LYS A 45 5.015 12.463 8.126 1.00 61.24 C ATOM 782 CD LYS A 45 5.149 13.628 9.095 1.00 23.00 C ATOM 783 CE LYS A 45 5.482 14.926 8.375 1.00 2.31 C ATOM 784 NZ LYS A 45 6.894 14.968 7.911 1.00 51.23 N ATOM 0 H LYS A 45 4.255 10.109 7.566 1.00 43.31 H new ATOM 0 HA LYS A 45 2.716 11.635 5.641 1.00 0.12 H new ATOM 0 HB2 LYS A 45 3.675 13.572 6.875 1.00 43.32 H new ATOM 0 HB3 LYS A 45 2.880 12.433 7.944 1.00 43.32 H new ATOM 0 HG2 LYS A 45 5.009 11.526 8.682 1.00 61.24 H new ATOM 0 HG3 LYS A 45 5.882 12.437 7.466 1.00 61.24 H new ATOM 0 HD2 LYS A 45 4.218 13.748 9.650 1.00 23.00 H new ATOM 0 HD3 LYS A 45 5.928 13.407 9.824 1.00 23.00 H new ATOM 0 HE2 LYS A 45 4.817 15.045 7.520 1.00 2.31 H new ATOM 0 HE3 LYS A 45 5.296 15.767 9.043 1.00 2.31 H new ATOM 0 HZ1 LYS A 45 7.102 15.908 7.518 1.00 51.23 H new ATOM 0 HZ2 LYS A 45 7.529 14.780 8.713 1.00 51.23 H new ATOM 0 HZ3 LYS A 45 7.040 14.246 7.177 1.00 51.23 H new ATOM 798 N ASP A 46 5.707 10.889 4.990 1.00 75.13 N ATOM 799 CA ASP A 46 6.855 11.107 4.123 1.00 43.04 C ATOM 800 C ASP A 46 6.650 10.400 2.788 1.00 34.43 C ATOM 801 O ASP A 46 7.563 10.305 1.967 1.00 73.55 O ATOM 802 CB ASP A 46 8.142 10.627 4.800 1.00 41.53 C ATOM 803 CG ASP A 46 9.385 11.288 4.226 1.00 22.13 C ATOM 804 OD1 ASP A 46 9.448 12.539 4.217 1.00 33.30 O ATOM 805 OD2 ASP A 46 10.301 10.567 3.793 1.00 13.32 O ATOM 0 H ASP A 46 5.677 9.973 5.438 1.00 75.13 H new ATOM 0 HA ASP A 46 6.951 12.177 3.936 1.00 43.04 H new ATOM 0 HB2 ASP A 46 8.085 10.834 5.869 1.00 41.53 H new ATOM 0 HB3 ASP A 46 8.225 9.546 4.689 1.00 41.53 H new ATOM 810 N ILE A 47 5.437 9.912 2.572 1.00 4.03 N ATOM 811 CA ILE A 47 5.085 9.297 1.304 1.00 54.02 C ATOM 812 C ILE A 47 4.453 10.339 0.393 1.00 22.13 C ATOM 813 O ILE A 47 3.263 10.635 0.496 1.00 53.11 O ATOM 814 CB ILE A 47 4.110 8.111 1.471 1.00 14.15 C ATOM 815 CG1 ILE A 47 4.601 7.150 2.557 1.00 63.04 C ATOM 816 CG2 ILE A 47 3.947 7.375 0.147 1.00 2.51 C ATOM 817 CD1 ILE A 47 5.941 6.518 2.252 1.00 23.43 C ATOM 0 H ILE A 47 4.682 9.931 3.258 1.00 4.03 H new ATOM 0 HA ILE A 47 6.005 8.908 0.867 1.00 54.02 H new ATOM 0 HB ILE A 47 3.141 8.504 1.778 1.00 14.15 H new ATOM 0 HG12 ILE A 47 4.671 7.689 3.502 1.00 63.04 H new ATOM 0 HG13 ILE A 47 3.861 6.362 2.694 1.00 63.04 H new ATOM 0 HG21 ILE A 47 3.257 6.541 0.277 1.00 2.51 H new ATOM 0 HG22 ILE A 47 3.551 8.059 -0.603 1.00 2.51 H new ATOM 0 HG23 ILE A 47 4.915 6.997 -0.181 1.00 2.51 H new ATOM 0 HD11 ILE A 47 6.222 5.850 3.066 1.00 23.43 H new ATOM 0 HD12 ILE A 47 5.873 5.950 1.324 1.00 23.43 H new ATOM 0 HD13 ILE A 47 6.695 7.298 2.145 1.00 23.43 H new ATOM 829 N LYS A 48 5.263 10.922 -0.471 1.00 43.40 N ATOM 830 CA LYS A 48 4.787 11.947 -1.383 1.00 71.34 C ATOM 831 C LYS A 48 4.073 11.311 -2.565 1.00 50.05 C ATOM 832 O LYS A 48 4.392 10.191 -2.962 1.00 0.05 O ATOM 833 CB LYS A 48 5.942 12.828 -1.877 1.00 31.40 C ATOM 834 CG LYS A 48 6.521 13.764 -0.817 1.00 41.34 C ATOM 835 CD LYS A 48 7.244 13.005 0.288 1.00 34.10 C ATOM 836 CE LYS A 48 7.844 13.945 1.322 1.00 13.51 C ATOM 837 NZ LYS A 48 8.858 14.846 0.718 1.00 71.22 N ATOM 0 H LYS A 48 6.255 10.703 -0.561 1.00 43.40 H new ATOM 0 HA LYS A 48 4.084 12.580 -0.841 1.00 71.34 H new ATOM 0 HB2 LYS A 48 6.739 12.185 -2.251 1.00 31.40 H new ATOM 0 HB3 LYS A 48 5.593 13.425 -2.719 1.00 31.40 H new ATOM 0 HG2 LYS A 48 7.213 14.461 -1.289 1.00 41.34 H new ATOM 0 HG3 LYS A 48 5.718 14.358 -0.382 1.00 41.34 H new ATOM 0 HD2 LYS A 48 6.547 12.324 0.777 1.00 34.10 H new ATOM 0 HD3 LYS A 48 8.034 12.393 -0.148 1.00 34.10 H new ATOM 0 HE2 LYS A 48 7.052 14.540 1.776 1.00 13.51 H new ATOM 0 HE3 LYS A 48 8.303 13.363 2.121 1.00 13.51 H new ATOM 0 HZ1 LYS A 48 9.411 15.301 1.472 1.00 71.22 H new ATOM 0 HZ2 LYS A 48 9.494 14.294 0.108 1.00 71.22 H new ATOM 0 HZ3 LYS A 48 8.380 15.575 0.151 1.00 71.22 H new ATOM 851 N ARG A 49 3.110 12.029 -3.123 1.00 63.05 N ATOM 852 CA ARG A 49 2.351 11.539 -4.266 1.00 62.23 C ATOM 853 C ARG A 49 3.260 11.332 -5.475 1.00 3.21 C ATOM 854 O ARG A 49 3.064 10.401 -6.260 1.00 33.31 O ATOM 855 CB ARG A 49 1.205 12.506 -4.592 1.00 22.35 C ATOM 856 CG ARG A 49 1.619 13.971 -4.595 1.00 4.32 C ATOM 857 CD ARG A 49 0.413 14.899 -4.600 1.00 70.25 C ATOM 858 NE ARG A 49 -0.490 14.627 -3.480 1.00 64.33 N ATOM 859 CZ ARG A 49 -1.412 15.481 -3.035 1.00 2.54 C ATOM 860 NH1 ARG A 49 -1.510 16.698 -3.553 1.00 10.34 N ATOM 861 NH2 ARG A 49 -2.225 15.120 -2.057 1.00 43.34 N ATOM 0 H ARG A 49 2.834 12.957 -2.802 1.00 63.05 H new ATOM 0 HA ARG A 49 1.920 10.571 -4.010 1.00 62.23 H new ATOM 0 HB2 ARG A 49 0.795 12.252 -5.569 1.00 22.35 H new ATOM 0 HB3 ARG A 49 0.406 12.366 -3.865 1.00 22.35 H new ATOM 0 HG2 ARG A 49 2.233 14.177 -3.718 1.00 4.32 H new ATOM 0 HG3 ARG A 49 2.236 14.172 -5.470 1.00 4.32 H new ATOM 0 HD2 ARG A 49 0.751 15.934 -4.551 1.00 70.25 H new ATOM 0 HD3 ARG A 49 -0.129 14.785 -5.539 1.00 70.25 H new ATOM 0 HE ARG A 49 -0.408 13.726 -3.010 1.00 64.33 H new ATOM 0 HH11 ARG A 49 -0.877 16.988 -4.298 1.00 10.34 H new ATOM 0 HH12 ARG A 49 -2.219 17.344 -3.206 1.00 10.34 H new ATOM 0 HH21 ARG A 49 -2.146 14.190 -1.645 1.00 43.34 H new ATOM 0 HH22 ARG A 49 -2.931 15.771 -1.714 1.00 43.34 H new ATOM 875 N THR A 50 4.268 12.183 -5.598 1.00 71.24 N ATOM 876 CA THR A 50 5.249 12.064 -6.663 1.00 74.35 C ATOM 877 C THR A 50 6.107 10.819 -6.468 1.00 44.34 C ATOM 878 O THR A 50 6.349 10.065 -7.408 1.00 31.24 O ATOM 879 CB THR A 50 6.146 13.310 -6.704 1.00 31.10 C ATOM 880 OG1 THR A 50 6.492 13.686 -5.363 1.00 1.40 O ATOM 881 CG2 THR A 50 5.441 14.463 -7.401 1.00 4.30 C ATOM 0 H THR A 50 4.427 12.969 -4.967 1.00 71.24 H new ATOM 0 HA THR A 50 4.714 11.977 -7.609 1.00 74.35 H new ATOM 0 HB THR A 50 7.049 13.076 -7.267 1.00 31.10 H new ATOM 0 HG1 THR A 50 7.066 14.480 -5.384 1.00 1.40 H new ATOM 0 HG21 THR A 50 6.096 15.334 -7.417 1.00 4.30 H new ATOM 0 HG22 THR A 50 5.195 14.175 -8.423 1.00 4.30 H new ATOM 0 HG23 THR A 50 4.525 14.708 -6.863 1.00 4.30 H new ATOM 889 N GLU A 51 6.543 10.605 -5.229 1.00 62.30 N ATOM 890 CA GLU A 51 7.345 9.439 -4.875 1.00 40.30 C ATOM 891 C GLU A 51 6.539 8.163 -5.085 1.00 34.43 C ATOM 892 O GLU A 51 7.062 7.138 -5.526 1.00 0.11 O ATOM 893 CB GLU A 51 7.792 9.539 -3.413 1.00 22.01 C ATOM 894 CG GLU A 51 8.837 8.511 -3.017 1.00 33.15 C ATOM 895 CD GLU A 51 10.132 8.689 -3.776 1.00 72.00 C ATOM 896 OE1 GLU A 51 10.955 9.536 -3.366 1.00 51.10 O ATOM 897 OE2 GLU A 51 10.333 7.996 -4.791 1.00 75.51 O ATOM 0 H GLU A 51 6.351 11.231 -4.447 1.00 62.30 H new ATOM 0 HA GLU A 51 8.225 9.409 -5.517 1.00 40.30 H new ATOM 0 HB2 GLU A 51 8.192 10.537 -3.233 1.00 22.01 H new ATOM 0 HB3 GLU A 51 6.921 9.424 -2.768 1.00 22.01 H new ATOM 0 HG2 GLU A 51 9.032 8.587 -1.947 1.00 33.15 H new ATOM 0 HG3 GLU A 51 8.446 7.510 -3.199 1.00 33.15 H new ATOM 904 N TYR A 52 5.254 8.245 -4.775 1.00 12.54 N ATOM 905 CA TYR A 52 4.350 7.114 -4.911 1.00 23.10 C ATOM 906 C TYR A 52 4.247 6.656 -6.364 1.00 31.41 C ATOM 907 O TYR A 52 4.159 5.457 -6.639 1.00 65.51 O ATOM 908 CB TYR A 52 2.969 7.484 -4.373 1.00 1.44 C ATOM 909 CG TYR A 52 1.980 6.347 -4.419 1.00 41.40 C ATOM 910 CD1 TYR A 52 2.186 5.196 -3.669 1.00 2.44 C ATOM 911 CD2 TYR A 52 0.846 6.417 -5.216 1.00 64.43 C ATOM 912 CE1 TYR A 52 1.289 4.151 -3.711 1.00 23.14 C ATOM 913 CE2 TYR A 52 -0.056 5.375 -5.262 1.00 14.31 C ATOM 914 CZ TYR A 52 0.172 4.244 -4.509 1.00 21.25 C ATOM 915 OH TYR A 52 -0.723 3.203 -4.554 1.00 15.22 O ATOM 0 H TYR A 52 4.810 9.094 -4.424 1.00 12.54 H new ATOM 0 HA TYR A 52 4.753 6.285 -4.329 1.00 23.10 H new ATOM 0 HB2 TYR A 52 3.069 7.826 -3.343 1.00 1.44 H new ATOM 0 HB3 TYR A 52 2.575 8.321 -4.950 1.00 1.44 H new ATOM 0 HD1 TYR A 52 3.063 5.119 -3.043 1.00 2.44 H new ATOM 0 HD2 TYR A 52 0.667 7.301 -5.809 1.00 64.43 H new ATOM 0 HE1 TYR A 52 1.462 3.263 -3.121 1.00 23.14 H new ATOM 0 HE2 TYR A 52 -0.936 5.445 -5.884 1.00 14.31 H new ATOM 0 HH TYR A 52 -1.544 3.456 -4.082 1.00 15.22 H new ATOM 925 N GLN A 53 4.260 7.606 -7.295 1.00 45.22 N ATOM 926 CA GLN A 53 4.198 7.270 -8.716 1.00 3.33 C ATOM 927 C GLN A 53 5.371 6.377 -9.117 1.00 45.43 C ATOM 928 O GLN A 53 5.211 5.465 -9.928 1.00 34.44 O ATOM 929 CB GLN A 53 4.190 8.528 -9.586 1.00 10.25 C ATOM 930 CG GLN A 53 4.027 8.235 -11.075 1.00 54.23 C ATOM 931 CD GLN A 53 2.642 7.716 -11.425 1.00 13.32 C ATOM 932 OE1 GLN A 53 1.738 8.491 -11.735 1.00 71.04 O ATOM 933 NE2 GLN A 53 2.467 6.401 -11.385 1.00 51.33 N ATOM 0 H GLN A 53 4.312 8.605 -7.095 1.00 45.22 H new ATOM 0 HA GLN A 53 3.266 6.728 -8.879 1.00 3.33 H new ATOM 0 HB2 GLN A 53 3.379 9.180 -9.261 1.00 10.25 H new ATOM 0 HB3 GLN A 53 5.120 9.074 -9.431 1.00 10.25 H new ATOM 0 HG2 GLN A 53 4.224 9.144 -11.643 1.00 54.23 H new ATOM 0 HG3 GLN A 53 4.773 7.501 -11.380 1.00 54.23 H new ATOM 0 HE21 GLN A 53 3.242 5.791 -11.123 1.00 51.33 H new ATOM 0 HE22 GLN A 53 1.558 6.000 -11.616 1.00 51.33 H new ATOM 942 N LYS A 54 6.543 6.635 -8.539 1.00 74.02 N ATOM 943 CA LYS A 54 7.733 5.834 -8.829 1.00 23.35 C ATOM 944 C LYS A 54 7.567 4.420 -8.288 1.00 50.05 C ATOM 945 O LYS A 54 8.015 3.451 -8.906 1.00 62.21 O ATOM 946 CB LYS A 54 8.996 6.463 -8.228 1.00 1.25 C ATOM 947 CG LYS A 54 9.562 7.639 -9.016 1.00 54.22 C ATOM 948 CD LYS A 54 8.635 8.841 -8.993 1.00 13.15 C ATOM 949 CE LYS A 54 9.249 10.040 -9.694 1.00 54.13 C ATOM 950 NZ LYS A 54 9.452 9.799 -11.148 1.00 52.34 N ATOM 0 H LYS A 54 6.695 7.389 -7.869 1.00 74.02 H new ATOM 0 HA LYS A 54 7.846 5.801 -9.913 1.00 23.35 H new ATOM 0 HB2 LYS A 54 8.772 6.797 -7.215 1.00 1.25 H new ATOM 0 HB3 LYS A 54 9.765 5.694 -8.147 1.00 1.25 H new ATOM 0 HG2 LYS A 54 10.530 7.920 -8.601 1.00 54.22 H new ATOM 0 HG3 LYS A 54 9.734 7.334 -10.048 1.00 54.22 H new ATOM 0 HD2 LYS A 54 7.692 8.582 -9.474 1.00 13.15 H new ATOM 0 HD3 LYS A 54 8.404 9.102 -7.960 1.00 13.15 H new ATOM 0 HE2 LYS A 54 8.603 10.908 -9.558 1.00 54.13 H new ATOM 0 HE3 LYS A 54 10.206 10.279 -9.230 1.00 54.13 H new ATOM 0 HZ1 LYS A 54 9.777 10.676 -11.603 1.00 52.34 H new ATOM 0 HZ2 LYS A 54 10.166 9.055 -11.280 1.00 52.34 H new ATOM 0 HZ3 LYS A 54 8.555 9.498 -11.579 1.00 52.34 H new ATOM 964 N PHE A 55 6.917 4.310 -7.134 1.00 3.12 N ATOM 965 CA PHE A 55 6.638 3.015 -6.533 1.00 1.35 C ATOM 966 C PHE A 55 5.741 2.195 -7.452 1.00 32.41 C ATOM 967 O PHE A 55 6.038 1.040 -7.755 1.00 64.33 O ATOM 968 CB PHE A 55 5.981 3.193 -5.159 1.00 72.01 C ATOM 969 CG PHE A 55 5.530 1.905 -4.534 1.00 71.31 C ATOM 970 CD1 PHE A 55 6.453 0.966 -4.106 1.00 23.20 C ATOM 971 CD2 PHE A 55 4.182 1.632 -4.383 1.00 34.40 C ATOM 972 CE1 PHE A 55 6.038 -0.222 -3.535 1.00 31.32 C ATOM 973 CE2 PHE A 55 3.760 0.448 -3.814 1.00 44.21 C ATOM 974 CZ PHE A 55 4.689 -0.481 -3.389 1.00 72.32 C ATOM 0 H PHE A 55 6.574 5.106 -6.597 1.00 3.12 H new ATOM 0 HA PHE A 55 7.579 2.482 -6.396 1.00 1.35 H new ATOM 0 HB2 PHE A 55 6.687 3.684 -4.489 1.00 72.01 H new ATOM 0 HB3 PHE A 55 5.123 3.858 -5.260 1.00 72.01 H new ATOM 0 HD1 PHE A 55 7.509 1.164 -4.220 1.00 23.20 H new ATOM 0 HD2 PHE A 55 3.451 2.355 -4.715 1.00 34.40 H new ATOM 0 HE1 PHE A 55 6.767 -0.947 -3.204 1.00 31.32 H new ATOM 0 HE2 PHE A 55 2.705 0.248 -3.701 1.00 44.21 H new ATOM 0 HZ PHE A 55 4.361 -1.409 -2.943 1.00 72.32 H new ATOM 984 N LEU A 56 4.653 2.811 -7.903 1.00 3.30 N ATOM 985 CA LEU A 56 3.744 2.168 -8.845 1.00 11.05 C ATOM 986 C LEU A 56 4.469 1.842 -10.141 1.00 13.43 C ATOM 987 O LEU A 56 4.268 0.784 -10.730 1.00 0.41 O ATOM 988 CB LEU A 56 2.555 3.079 -9.156 1.00 63.11 C ATOM 989 CG LEU A 56 1.636 3.399 -7.980 1.00 74.34 C ATOM 990 CD1 LEU A 56 0.499 4.298 -8.438 1.00 64.41 C ATOM 991 CD2 LEU A 56 1.091 2.120 -7.365 1.00 42.43 C ATOM 0 H LEU A 56 4.379 3.755 -7.631 1.00 3.30 H new ATOM 0 HA LEU A 56 3.382 1.248 -8.386 1.00 11.05 H new ATOM 0 HB2 LEU A 56 2.936 4.017 -9.560 1.00 63.11 H new ATOM 0 HB3 LEU A 56 1.960 2.612 -9.941 1.00 63.11 H new ATOM 0 HG LEU A 56 2.212 3.924 -7.218 1.00 74.34 H new ATOM 0 HD11 LEU A 56 -0.152 4.521 -7.592 1.00 64.41 H new ATOM 0 HD12 LEU A 56 0.907 5.227 -8.837 1.00 64.41 H new ATOM 0 HD13 LEU A 56 -0.075 3.792 -9.214 1.00 64.41 H new ATOM 0 HD21 LEU A 56 0.438 2.368 -6.528 1.00 42.43 H new ATOM 0 HD22 LEU A 56 0.525 1.568 -8.115 1.00 42.43 H new ATOM 0 HD23 LEU A 56 1.918 1.506 -7.010 1.00 42.43 H new ATOM 1003 N ASN A 57 5.324 2.762 -10.559 1.00 14.24 N ATOM 1004 CA ASN A 57 6.055 2.639 -11.814 1.00 61.11 C ATOM 1005 C ASN A 57 6.884 1.358 -11.848 1.00 34.40 C ATOM 1006 O ASN A 57 6.713 0.524 -12.735 1.00 1.22 O ATOM 1007 CB ASN A 57 6.966 3.852 -11.996 1.00 13.12 C ATOM 1008 CG ASN A 57 7.356 4.082 -13.440 1.00 43.32 C ATOM 1009 OD1 ASN A 57 8.334 3.517 -13.928 1.00 22.14 O ATOM 1010 ND2 ASN A 57 6.601 4.927 -14.125 1.00 62.43 N ATOM 0 H ASN A 57 5.532 3.615 -10.040 1.00 14.24 H new ATOM 0 HA ASN A 57 5.333 2.595 -12.629 1.00 61.11 H new ATOM 0 HB2 ASN A 57 6.461 4.740 -11.615 1.00 13.12 H new ATOM 0 HB3 ASN A 57 7.867 3.716 -11.398 1.00 13.12 H new ATOM 0 HD21 ASN A 57 6.821 5.133 -15.099 1.00 62.43 H new ATOM 0 HD22 ASN A 57 5.799 5.372 -13.678 1.00 62.43 H new ATOM 1017 N GLU A 58 7.769 1.200 -10.864 1.00 0.10 N ATOM 1018 CA GLU A 58 8.638 0.026 -10.789 1.00 71.51 C ATOM 1019 C GLU A 58 7.811 -1.245 -10.622 1.00 43.34 C ATOM 1020 O GLU A 58 8.111 -2.286 -11.217 1.00 73.23 O ATOM 1021 CB GLU A 58 9.618 0.164 -9.621 1.00 74.10 C ATOM 1022 CG GLU A 58 10.640 -0.961 -9.547 1.00 13.11 C ATOM 1023 CD GLU A 58 11.531 -0.862 -8.328 1.00 42.44 C ATOM 1024 OE1 GLU A 58 12.404 0.031 -8.291 1.00 4.00 O ATOM 1025 OE2 GLU A 58 11.366 -1.677 -7.392 1.00 24.34 O ATOM 0 H GLU A 58 7.903 1.871 -10.107 1.00 0.10 H new ATOM 0 HA GLU A 58 9.201 -0.042 -11.720 1.00 71.51 H new ATOM 0 HB2 GLU A 58 10.143 1.115 -9.709 1.00 74.10 H new ATOM 0 HB3 GLU A 58 9.056 0.195 -8.688 1.00 74.10 H new ATOM 0 HG2 GLU A 58 10.120 -1.919 -9.535 1.00 13.11 H new ATOM 0 HG3 GLU A 58 11.257 -0.945 -10.445 1.00 13.11 H new ATOM 1032 N TYR A 59 6.763 -1.143 -9.816 1.00 72.21 N ATOM 1033 CA TYR A 59 5.878 -2.265 -9.548 1.00 14.10 C ATOM 1034 C TYR A 59 5.182 -2.716 -10.828 1.00 74.42 C ATOM 1035 O TYR A 59 5.140 -3.911 -11.134 1.00 54.24 O ATOM 1036 CB TYR A 59 4.841 -1.865 -8.494 1.00 71.12 C ATOM 1037 CG TYR A 59 3.958 -3.001 -8.031 1.00 72.51 C ATOM 1038 CD1 TYR A 59 2.805 -3.342 -8.727 1.00 3.11 C ATOM 1039 CD2 TYR A 59 4.276 -3.729 -6.891 1.00 13.43 C ATOM 1040 CE1 TYR A 59 1.999 -4.375 -8.301 1.00 40.32 C ATOM 1041 CE2 TYR A 59 3.471 -4.766 -6.461 1.00 63.12 C ATOM 1042 CZ TYR A 59 2.335 -5.085 -7.169 1.00 42.25 C ATOM 1043 OH TYR A 59 1.528 -6.113 -6.746 1.00 74.22 O ATOM 0 H TYR A 59 6.504 -0.283 -9.332 1.00 72.21 H new ATOM 0 HA TYR A 59 6.471 -3.098 -9.169 1.00 14.10 H new ATOM 0 HB2 TYR A 59 5.359 -1.448 -7.631 1.00 71.12 H new ATOM 0 HB3 TYR A 59 4.212 -1.074 -8.902 1.00 71.12 H new ATOM 0 HD1 TYR A 59 2.537 -2.789 -9.615 1.00 3.11 H new ATOM 0 HD2 TYR A 59 5.166 -3.480 -6.332 1.00 13.43 H new ATOM 0 HE1 TYR A 59 1.106 -4.628 -8.853 1.00 40.32 H new ATOM 0 HE2 TYR A 59 3.732 -5.324 -5.574 1.00 63.12 H new ATOM 0 HH TYR A 59 1.905 -6.512 -5.934 1.00 74.22 H new ATOM 1053 N GLY A 60 4.645 -1.756 -11.571 1.00 25.01 N ATOM 1054 CA GLY A 60 3.916 -2.059 -12.786 1.00 61.11 C ATOM 1055 C GLY A 60 4.800 -2.623 -13.879 1.00 24.43 C ATOM 1056 O GLY A 60 4.357 -3.441 -14.678 1.00 63.55 O ATOM 0 H GLY A 60 4.703 -0.762 -11.349 1.00 25.01 H new ATOM 0 HA2 GLY A 60 3.125 -2.774 -12.560 1.00 61.11 H new ATOM 0 HA3 GLY A 60 3.432 -1.152 -13.149 1.00 61.11 H new ATOM 1060 N LEU A 61 6.056 -2.196 -13.911 1.00 72.43 N ATOM 1061 CA LEU A 61 6.998 -2.678 -14.918 1.00 63.52 C ATOM 1062 C LEU A 61 7.373 -4.139 -14.676 1.00 43.33 C ATOM 1063 O LEU A 61 7.964 -4.788 -15.539 1.00 20.45 O ATOM 1064 CB LEU A 61 8.268 -1.821 -14.925 1.00 31.31 C ATOM 1065 CG LEU A 61 8.074 -0.341 -15.262 1.00 40.34 C ATOM 1066 CD1 LEU A 61 9.413 0.380 -15.273 1.00 35.44 C ATOM 1067 CD2 LEU A 61 7.374 -0.182 -16.600 1.00 42.14 C ATOM 0 H LEU A 61 6.447 -1.520 -13.255 1.00 72.43 H new ATOM 0 HA LEU A 61 6.505 -2.601 -15.887 1.00 63.52 H new ATOM 0 HB2 LEU A 61 8.736 -1.892 -13.943 1.00 31.31 H new ATOM 0 HB3 LEU A 61 8.968 -2.249 -15.643 1.00 31.31 H new ATOM 0 HG LEU A 61 7.445 0.106 -14.492 1.00 40.34 H new ATOM 0 HD11 LEU A 61 9.258 1.432 -15.514 1.00 35.44 H new ATOM 0 HD12 LEU A 61 9.879 0.298 -14.291 1.00 35.44 H new ATOM 0 HD13 LEU A 61 10.063 -0.072 -16.022 1.00 35.44 H new ATOM 0 HD21 LEU A 61 7.246 0.878 -16.820 1.00 42.14 H new ATOM 0 HD22 LEU A 61 7.975 -0.645 -17.382 1.00 42.14 H new ATOM 0 HD23 LEU A 61 6.397 -0.664 -16.559 1.00 42.14 H new ATOM 1079 N THR A 62 7.035 -4.650 -13.501 1.00 1.02 N ATOM 1080 CA THR A 62 7.378 -6.016 -13.137 1.00 1.23 C ATOM 1081 C THR A 62 6.133 -6.844 -12.835 1.00 1.21 C ATOM 1082 O THR A 62 6.229 -7.991 -12.392 1.00 53.33 O ATOM 1083 CB THR A 62 8.309 -6.033 -11.908 1.00 42.11 C ATOM 1084 OG1 THR A 62 7.843 -5.086 -10.935 1.00 32.04 O ATOM 1085 CG2 THR A 62 9.741 -5.702 -12.298 1.00 44.15 C ATOM 0 H THR A 62 6.523 -4.138 -12.783 1.00 1.02 H new ATOM 0 HA THR A 62 7.892 -6.458 -13.991 1.00 1.23 H new ATOM 0 HB THR A 62 8.294 -7.037 -11.483 1.00 42.11 H new ATOM 0 HG1 THR A 62 8.044 -4.177 -11.241 1.00 32.04 H new ATOM 0 HG21 THR A 62 10.374 -5.722 -11.411 1.00 44.15 H new ATOM 0 HG22 THR A 62 10.102 -6.438 -13.017 1.00 44.15 H new ATOM 0 HG23 THR A 62 9.776 -4.709 -12.746 1.00 44.15 H new ATOM 1093 N HIS A 63 4.964 -6.263 -13.076 1.00 43.32 N ATOM 1094 CA HIS A 63 3.703 -6.922 -12.776 1.00 2.14 C ATOM 1095 C HIS A 63 2.660 -6.574 -13.830 1.00 63.14 C ATOM 1096 O HIS A 63 2.993 -6.045 -14.889 1.00 51.25 O ATOM 1097 CB HIS A 63 3.201 -6.515 -11.384 1.00 74.54 C ATOM 1098 CG HIS A 63 3.992 -7.099 -10.253 1.00 31.41 C ATOM 1099 ND1 HIS A 63 5.121 -6.501 -9.729 1.00 73.22 N ATOM 1100 CD2 HIS A 63 3.809 -8.235 -9.537 1.00 0.02 C ATOM 1101 CE1 HIS A 63 5.593 -7.243 -8.742 1.00 64.11 C ATOM 1102 NE2 HIS A 63 4.814 -8.300 -8.605 1.00 63.34 N ATOM 0 H HIS A 63 4.865 -5.332 -13.481 1.00 43.32 H new ATOM 0 HA HIS A 63 3.868 -7.999 -12.786 1.00 2.14 H new ATOM 0 HB2 HIS A 63 3.223 -5.428 -11.305 1.00 74.54 H new ATOM 0 HB3 HIS A 63 2.160 -6.821 -11.281 1.00 74.54 H new ATOM 0 HD1 HIS A 63 5.527 -5.623 -10.053 1.00 73.22 H new ATOM 0 HD2 HIS A 63 3.017 -8.957 -9.675 1.00 0.02 H new ATOM 0 HE1 HIS A 63 6.468 -7.022 -8.148 1.00 64.11 H new ATOM 1111 N SER A 64 1.403 -6.873 -13.542 1.00 41.52 N ATOM 1112 CA SER A 64 0.320 -6.567 -14.460 1.00 45.44 C ATOM 1113 C SER A 64 -0.537 -5.426 -13.905 1.00 11.02 C ATOM 1114 O SER A 64 -0.273 -4.913 -12.811 1.00 13.43 O ATOM 1115 CB SER A 64 -0.531 -7.820 -14.696 1.00 21.23 C ATOM 1116 OG SER A 64 -1.472 -7.618 -15.740 1.00 44.31 O ATOM 0 H SER A 64 1.108 -7.328 -12.678 1.00 41.52 H new ATOM 0 HA SER A 64 0.739 -6.246 -15.414 1.00 45.44 H new ATOM 0 HB2 SER A 64 0.117 -8.660 -14.946 1.00 21.23 H new ATOM 0 HB3 SER A 64 -1.055 -8.084 -13.778 1.00 21.23 H new ATOM 0 HG SER A 64 -1.999 -8.435 -15.868 1.00 44.31 H new ATOM 1122 N TYR A 65 -1.568 -5.044 -14.650 1.00 34.22 N ATOM 1123 CA TYR A 65 -2.431 -3.939 -14.253 1.00 4.04 C ATOM 1124 C TYR A 65 -3.205 -4.274 -12.985 1.00 1.12 C ATOM 1125 O TYR A 65 -3.371 -3.431 -12.115 1.00 11.34 O ATOM 1126 CB TYR A 65 -3.414 -3.573 -15.369 1.00 11.44 C ATOM 1127 CG TYR A 65 -4.376 -2.471 -14.972 1.00 71.20 C ATOM 1128 CD1 TYR A 65 -3.989 -1.139 -15.022 1.00 10.44 C ATOM 1129 CD2 TYR A 65 -5.660 -2.769 -14.523 1.00 15.22 C ATOM 1130 CE1 TYR A 65 -4.855 -0.130 -14.644 1.00 44.00 C ATOM 1131 CE2 TYR A 65 -6.531 -1.765 -14.142 1.00 63.14 C ATOM 1132 CZ TYR A 65 -6.124 -0.449 -14.202 1.00 71.23 C ATOM 1133 OH TYR A 65 -6.991 0.548 -13.816 1.00 33.35 O ATOM 0 H TYR A 65 -1.826 -5.484 -15.533 1.00 34.22 H new ATOM 0 HA TYR A 65 -1.785 -3.083 -14.058 1.00 4.04 H new ATOM 0 HB2 TYR A 65 -2.854 -3.259 -16.250 1.00 11.44 H new ATOM 0 HB3 TYR A 65 -3.982 -4.460 -15.651 1.00 11.44 H new ATOM 0 HD1 TYR A 65 -2.995 -0.887 -15.362 1.00 10.44 H new ATOM 0 HD2 TYR A 65 -5.980 -3.799 -14.472 1.00 15.22 H new ATOM 0 HE1 TYR A 65 -4.541 0.902 -14.694 1.00 44.00 H new ATOM 0 HE2 TYR A 65 -7.525 -2.010 -13.799 1.00 63.14 H new ATOM 0 HH TYR A 65 -7.824 0.149 -13.488 1.00 33.35 H new ATOM 1143 N GLU A 66 -3.679 -5.505 -12.883 1.00 63.21 N ATOM 1144 CA GLU A 66 -4.477 -5.912 -11.732 1.00 54.12 C ATOM 1145 C GLU A 66 -3.685 -5.820 -10.441 1.00 54.23 C ATOM 1146 O GLU A 66 -4.192 -5.340 -9.430 1.00 52.44 O ATOM 1147 CB GLU A 66 -5.026 -7.319 -11.940 1.00 51.13 C ATOM 1148 CG GLU A 66 -6.192 -7.332 -12.905 1.00 22.11 C ATOM 1149 CD GLU A 66 -7.478 -6.879 -12.255 1.00 73.42 C ATOM 1150 OE1 GLU A 66 -7.513 -5.755 -11.710 1.00 12.40 O ATOM 1151 OE2 GLU A 66 -8.458 -7.647 -12.268 1.00 61.03 O ATOM 0 H GLU A 66 -3.528 -6.237 -13.577 1.00 63.21 H new ATOM 0 HA GLU A 66 -5.316 -5.222 -11.644 1.00 54.12 H new ATOM 0 HB2 GLU A 66 -4.234 -7.966 -12.318 1.00 51.13 H new ATOM 0 HB3 GLU A 66 -5.343 -7.731 -10.982 1.00 51.13 H new ATOM 0 HG2 GLU A 66 -5.967 -6.684 -13.752 1.00 22.11 H new ATOM 0 HG3 GLU A 66 -6.322 -8.339 -13.301 1.00 22.11 H new ATOM 1158 N THR A 67 -2.437 -6.253 -10.488 1.00 10.50 N ATOM 1159 CA THR A 67 -1.564 -6.171 -9.334 1.00 1.33 C ATOM 1160 C THR A 67 -1.378 -4.723 -8.884 1.00 33.25 C ATOM 1161 O THR A 67 -1.509 -4.411 -7.702 1.00 34.33 O ATOM 1162 CB THR A 67 -0.193 -6.799 -9.646 1.00 45.54 C ATOM 1163 OG1 THR A 67 0.008 -6.844 -11.066 1.00 43.44 O ATOM 1164 CG2 THR A 67 -0.084 -8.203 -9.074 1.00 2.31 C ATOM 0 H THR A 67 -2.006 -6.665 -11.316 1.00 10.50 H new ATOM 0 HA THR A 67 -2.035 -6.727 -8.524 1.00 1.33 H new ATOM 0 HB THR A 67 0.575 -6.180 -9.181 1.00 45.54 H new ATOM 0 HG1 THR A 67 -0.068 -5.940 -11.436 1.00 43.44 H new ATOM 0 HG21 THR A 67 0.896 -8.618 -9.312 1.00 2.31 H new ATOM 0 HG22 THR A 67 -0.209 -8.166 -7.992 1.00 2.31 H new ATOM 0 HG23 THR A 67 -0.860 -8.834 -9.508 1.00 2.31 H new ATOM 1172 N ILE A 68 -1.096 -3.834 -9.832 1.00 72.11 N ATOM 1173 CA ILE A 68 -0.860 -2.432 -9.506 1.00 44.51 C ATOM 1174 C ILE A 68 -2.172 -1.713 -9.163 1.00 42.33 C ATOM 1175 O ILE A 68 -2.199 -0.840 -8.294 1.00 71.02 O ATOM 1176 CB ILE A 68 -0.107 -1.697 -10.647 1.00 11.34 C ATOM 1177 CG1 ILE A 68 0.267 -0.278 -10.218 1.00 34.51 C ATOM 1178 CG2 ILE A 68 -0.933 -1.663 -11.924 1.00 23.44 C ATOM 1179 CD1 ILE A 68 1.081 0.471 -11.251 1.00 42.31 C ATOM 0 H ILE A 68 -1.026 -4.057 -10.825 1.00 72.11 H new ATOM 0 HA ILE A 68 -0.222 -2.409 -8.623 1.00 44.51 H new ATOM 0 HB ILE A 68 0.807 -2.254 -10.853 1.00 11.34 H new ATOM 0 HG12 ILE A 68 -0.645 0.282 -10.010 1.00 34.51 H new ATOM 0 HG13 ILE A 68 0.832 -0.326 -9.287 1.00 34.51 H new ATOM 0 HG21 ILE A 68 -0.377 -1.141 -12.703 1.00 23.44 H new ATOM 0 HG22 ILE A 68 -1.143 -2.682 -12.249 1.00 23.44 H new ATOM 0 HG23 ILE A 68 -1.871 -1.141 -11.737 1.00 23.44 H new ATOM 0 HD11 ILE A 68 1.310 1.470 -10.879 1.00 42.31 H new ATOM 0 HD12 ILE A 68 2.010 -0.067 -11.442 1.00 42.31 H new ATOM 0 HD13 ILE A 68 0.510 0.550 -12.176 1.00 42.31 H new ATOM 1191 N ARG A 69 -3.259 -2.098 -9.828 1.00 50.12 N ATOM 1192 CA ARG A 69 -4.566 -1.492 -9.586 1.00 35.23 C ATOM 1193 C ARG A 69 -5.035 -1.815 -8.174 1.00 54.23 C ATOM 1194 O ARG A 69 -5.459 -0.929 -7.430 1.00 65.40 O ATOM 1195 CB ARG A 69 -5.593 -2.001 -10.601 1.00 64.25 C ATOM 1196 CG ARG A 69 -6.783 -1.071 -10.781 1.00 62.54 C ATOM 1197 CD ARG A 69 -8.107 -1.759 -10.483 1.00 3.03 C ATOM 1198 NE ARG A 69 -8.333 -2.957 -11.294 1.00 55.22 N ATOM 1199 CZ ARG A 69 -9.463 -3.188 -11.966 1.00 42.01 C ATOM 1200 NH1 ARG A 69 -10.411 -2.257 -12.011 1.00 63.31 N ATOM 1201 NH2 ARG A 69 -9.637 -4.343 -12.595 1.00 25.21 N ATOM 0 H ARG A 69 -3.260 -2.828 -10.540 1.00 50.12 H new ATOM 0 HA ARG A 69 -4.471 -0.412 -9.697 1.00 35.23 H new ATOM 0 HB2 ARG A 69 -5.102 -2.140 -11.564 1.00 64.25 H new ATOM 0 HB3 ARG A 69 -5.952 -2.980 -10.283 1.00 64.25 H new ATOM 0 HG2 ARG A 69 -6.669 -0.208 -10.125 1.00 62.54 H new ATOM 0 HG3 ARG A 69 -6.795 -0.694 -11.804 1.00 62.54 H new ATOM 0 HD2 ARG A 69 -8.137 -2.032 -9.428 1.00 3.03 H new ATOM 0 HD3 ARG A 69 -8.921 -1.054 -10.654 1.00 3.03 H new ATOM 0 HE ARG A 69 -7.588 -3.651 -11.348 1.00 55.22 H new ATOM 0 HH11 ARG A 69 -10.275 -1.367 -11.532 1.00 63.31 H new ATOM 0 HH12 ARG A 69 -11.275 -2.433 -12.524 1.00 63.31 H new ATOM 0 HH21 ARG A 69 -8.907 -5.055 -12.565 1.00 25.21 H new ATOM 0 HH22 ARG A 69 -10.501 -4.519 -13.108 1.00 25.21 H new ATOM 1215 N LYS A 70 -4.959 -3.094 -7.820 1.00 45.14 N ATOM 1216 CA LYS A 70 -5.270 -3.534 -6.466 1.00 55.54 C ATOM 1217 C LYS A 70 -4.365 -2.834 -5.456 1.00 51.35 C ATOM 1218 O LYS A 70 -4.831 -2.335 -4.433 1.00 1.10 O ATOM 1219 CB LYS A 70 -5.108 -5.052 -6.342 1.00 60.44 C ATOM 1220 CG LYS A 70 -6.386 -5.850 -6.579 1.00 54.34 C ATOM 1221 CD LYS A 70 -6.947 -5.678 -7.986 1.00 34.11 C ATOM 1222 CE LYS A 70 -8.125 -6.611 -8.212 1.00 11.24 C ATOM 1223 NZ LYS A 70 -8.855 -6.316 -9.474 1.00 41.11 N ATOM 0 H LYS A 70 -4.684 -3.844 -8.454 1.00 45.14 H new ATOM 0 HA LYS A 70 -6.307 -3.272 -6.254 1.00 55.54 H new ATOM 0 HB2 LYS A 70 -4.352 -5.383 -7.054 1.00 60.44 H new ATOM 0 HB3 LYS A 70 -4.731 -5.283 -5.346 1.00 60.44 H new ATOM 0 HG2 LYS A 70 -6.186 -6.907 -6.401 1.00 54.34 H new ATOM 0 HG3 LYS A 70 -7.139 -5.542 -5.854 1.00 54.34 H new ATOM 0 HD2 LYS A 70 -7.261 -4.645 -8.134 1.00 34.11 H new ATOM 0 HD3 LYS A 70 -6.168 -5.883 -8.721 1.00 34.11 H new ATOM 0 HE2 LYS A 70 -7.769 -7.641 -8.235 1.00 11.24 H new ATOM 0 HE3 LYS A 70 -8.814 -6.531 -7.371 1.00 11.24 H new ATOM 0 HZ1 LYS A 70 -9.156 -7.207 -9.917 1.00 41.11 H new ATOM 0 HZ2 LYS A 70 -9.691 -5.734 -9.264 1.00 41.11 H new ATOM 0 HZ3 LYS A 70 -8.229 -5.800 -10.125 1.00 41.11 H new ATOM 1237 N LEU A 71 -3.073 -2.794 -5.770 1.00 14.01 N ATOM 1238 CA LEU A 71 -2.073 -2.151 -4.920 1.00 1.03 C ATOM 1239 C LEU A 71 -2.473 -0.715 -4.584 1.00 50.22 C ATOM 1240 O LEU A 71 -2.531 -0.334 -3.410 1.00 61.25 O ATOM 1241 CB LEU A 71 -0.721 -2.159 -5.634 1.00 75.52 C ATOM 1242 CG LEU A 71 0.397 -1.378 -4.945 1.00 5.31 C ATOM 1243 CD1 LEU A 71 0.792 -2.037 -3.636 1.00 75.21 C ATOM 1244 CD2 LEU A 71 1.597 -1.255 -5.867 1.00 32.13 C ATOM 0 H LEU A 71 -2.689 -3.206 -6.620 1.00 14.01 H new ATOM 0 HA LEU A 71 -2.003 -2.708 -3.986 1.00 1.03 H new ATOM 0 HB2 LEU A 71 -0.398 -3.194 -5.750 1.00 75.52 H new ATOM 0 HB3 LEU A 71 -0.858 -1.754 -6.636 1.00 75.52 H new ATOM 0 HG LEU A 71 0.028 -0.378 -4.718 1.00 5.31 H new ATOM 0 HD11 LEU A 71 1.589 -1.462 -3.165 1.00 75.21 H new ATOM 0 HD12 LEU A 71 -0.071 -2.072 -2.971 1.00 75.21 H new ATOM 0 HD13 LEU A 71 1.142 -3.051 -3.830 1.00 75.21 H new ATOM 0 HD21 LEU A 71 2.386 -0.696 -5.364 1.00 32.13 H new ATOM 0 HD22 LEU A 71 1.963 -2.249 -6.123 1.00 32.13 H new ATOM 0 HD23 LEU A 71 1.305 -0.731 -6.777 1.00 32.13 H new ATOM 1256 N ASN A 72 -2.747 0.064 -5.623 1.00 31.23 N ATOM 1257 CA ASN A 72 -3.169 1.453 -5.473 1.00 44.44 C ATOM 1258 C ASN A 72 -4.385 1.558 -4.556 1.00 23.25 C ATOM 1259 O ASN A 72 -4.449 2.429 -3.688 1.00 60.13 O ATOM 1260 CB ASN A 72 -3.495 2.037 -6.851 1.00 71.54 C ATOM 1261 CG ASN A 72 -3.943 3.487 -6.800 1.00 44.33 C ATOM 1262 OD1 ASN A 72 -3.508 4.262 -5.955 1.00 21.43 O ATOM 1263 ND2 ASN A 72 -4.820 3.861 -7.719 1.00 2.24 N ATOM 0 H ASN A 72 -2.683 -0.248 -6.592 1.00 31.23 H new ATOM 0 HA ASN A 72 -2.356 2.020 -5.019 1.00 44.44 H new ATOM 0 HB2 ASN A 72 -2.614 1.959 -7.488 1.00 71.54 H new ATOM 0 HB3 ASN A 72 -4.279 1.438 -7.315 1.00 71.54 H new ATOM 0 HD21 ASN A 72 -5.157 4.823 -7.741 1.00 2.24 H new ATOM 0 HD22 ASN A 72 -5.158 3.187 -8.405 1.00 2.24 H new ATOM 1270 N SER A 73 -5.330 0.643 -4.737 1.00 35.41 N ATOM 1271 CA SER A 73 -6.561 0.635 -3.960 1.00 64.34 C ATOM 1272 C SER A 73 -6.271 0.458 -2.467 1.00 11.01 C ATOM 1273 O SER A 73 -6.803 1.196 -1.634 1.00 24.33 O ATOM 1274 CB SER A 73 -7.487 -0.478 -4.461 1.00 31.22 C ATOM 1275 OG SER A 73 -8.751 -0.426 -3.825 1.00 33.11 O ATOM 0 H SER A 73 -5.264 -0.109 -5.422 1.00 35.41 H new ATOM 0 HA SER A 73 -7.056 1.597 -4.091 1.00 64.34 H new ATOM 0 HB2 SER A 73 -7.617 -0.387 -5.539 1.00 31.22 H new ATOM 0 HB3 SER A 73 -7.025 -1.448 -4.276 1.00 31.22 H new ATOM 0 HG SER A 73 -9.319 -1.148 -4.167 1.00 33.11 H new ATOM 1281 N TYR A 74 -5.409 -0.505 -2.136 1.00 14.33 N ATOM 1282 CA TYR A 74 -5.080 -0.791 -0.740 1.00 21.32 C ATOM 1283 C TYR A 74 -4.398 0.406 -0.093 1.00 73.51 C ATOM 1284 O TYR A 74 -4.767 0.828 1.004 1.00 23.11 O ATOM 1285 CB TYR A 74 -4.157 -2.009 -0.627 1.00 72.33 C ATOM 1286 CG TYR A 74 -4.660 -3.241 -1.337 1.00 40.22 C ATOM 1287 CD1 TYR A 74 -5.988 -3.637 -1.245 1.00 3.21 C ATOM 1288 CD2 TYR A 74 -3.796 -4.012 -2.102 1.00 52.31 C ATOM 1289 CE1 TYR A 74 -6.440 -4.767 -1.898 1.00 40.10 C ATOM 1290 CE2 TYR A 74 -4.239 -5.143 -2.758 1.00 14.55 C ATOM 1291 CZ TYR A 74 -5.563 -5.516 -2.654 1.00 75.14 C ATOM 1292 OH TYR A 74 -6.014 -6.638 -3.309 1.00 53.44 O ATOM 0 H TYR A 74 -4.928 -1.097 -2.813 1.00 14.33 H new ATOM 0 HA TYR A 74 -6.016 -1.003 -0.223 1.00 21.32 H new ATOM 0 HB2 TYR A 74 -3.179 -1.747 -1.030 1.00 72.33 H new ATOM 0 HB3 TYR A 74 -4.015 -2.245 0.428 1.00 72.33 H new ATOM 0 HD1 TYR A 74 -6.678 -3.053 -0.654 1.00 3.21 H new ATOM 0 HD2 TYR A 74 -2.759 -3.722 -2.186 1.00 52.31 H new ATOM 0 HE1 TYR A 74 -7.476 -5.063 -1.817 1.00 40.10 H new ATOM 0 HE2 TYR A 74 -3.553 -5.732 -3.349 1.00 14.55 H new ATOM 0 HH TYR A 74 -6.957 -6.521 -3.547 1.00 53.44 H new ATOM 1302 N ILE A 75 -3.411 0.950 -0.788 1.00 61.13 N ATOM 1303 CA ILE A 75 -2.630 2.062 -0.268 1.00 44.53 C ATOM 1304 C ILE A 75 -3.484 3.319 -0.138 1.00 11.15 C ATOM 1305 O ILE A 75 -3.392 4.042 0.859 1.00 42.54 O ATOM 1306 CB ILE A 75 -1.400 2.336 -1.158 1.00 52.04 C ATOM 1307 CG1 ILE A 75 -0.474 1.114 -1.147 1.00 53.43 C ATOM 1308 CG2 ILE A 75 -0.657 3.583 -0.693 1.00 22.14 C ATOM 1309 CD1 ILE A 75 0.756 1.267 -2.013 1.00 2.55 C ATOM 0 H ILE A 75 -3.131 0.638 -1.718 1.00 61.13 H new ATOM 0 HA ILE A 75 -2.279 1.784 0.726 1.00 44.53 H new ATOM 0 HB ILE A 75 -1.738 2.516 -2.179 1.00 52.04 H new ATOM 0 HG12 ILE A 75 -0.162 0.917 -0.122 1.00 53.43 H new ATOM 0 HG13 ILE A 75 -1.036 0.242 -1.482 1.00 53.43 H new ATOM 0 HG21 ILE A 75 0.206 3.754 -1.337 1.00 22.14 H new ATOM 0 HG22 ILE A 75 -1.324 4.444 -0.744 1.00 22.14 H new ATOM 0 HG23 ILE A 75 -0.321 3.444 0.335 1.00 22.14 H new ATOM 0 HD11 ILE A 75 1.359 0.361 -1.951 1.00 2.55 H new ATOM 0 HD12 ILE A 75 0.454 1.433 -3.047 1.00 2.55 H new ATOM 0 HD13 ILE A 75 1.342 2.118 -1.665 1.00 2.55 H new ATOM 1321 N ARG A 76 -4.332 3.571 -1.130 1.00 72.44 N ATOM 1322 CA ARG A 76 -5.221 4.724 -1.085 1.00 52.12 C ATOM 1323 C ARG A 76 -6.169 4.603 0.098 1.00 35.45 C ATOM 1324 O ARG A 76 -6.381 5.564 0.829 1.00 4.23 O ATOM 1325 CB ARG A 76 -6.028 4.858 -2.378 1.00 45.15 C ATOM 1326 CG ARG A 76 -6.799 6.166 -2.463 1.00 61.12 C ATOM 1327 CD ARG A 76 -7.617 6.264 -3.739 1.00 63.41 C ATOM 1328 NE ARG A 76 -8.752 5.342 -3.738 1.00 45.40 N ATOM 1329 CZ ARG A 76 -10.021 5.740 -3.749 1.00 24.31 C ATOM 1330 NH1 ARG A 76 -10.318 7.034 -3.743 1.00 34.32 N ATOM 1331 NH2 ARG A 76 -10.996 4.844 -3.755 1.00 25.23 N ATOM 0 H ARG A 76 -4.422 2.997 -1.968 1.00 72.44 H new ATOM 0 HA ARG A 76 -4.605 5.617 -0.973 1.00 52.12 H new ATOM 0 HB2 ARG A 76 -5.353 4.784 -3.231 1.00 45.15 H new ATOM 0 HB3 ARG A 76 -6.727 4.025 -2.452 1.00 45.15 H new ATOM 0 HG2 ARG A 76 -7.460 6.253 -1.601 1.00 61.12 H new ATOM 0 HG3 ARG A 76 -6.101 7.002 -2.415 1.00 61.12 H new ATOM 0 HD2 ARG A 76 -7.980 7.285 -3.859 1.00 63.41 H new ATOM 0 HD3 ARG A 76 -6.978 6.050 -4.596 1.00 63.41 H new ATOM 0 HE ARG A 76 -8.560 4.340 -3.728 1.00 45.40 H new ATOM 0 HH11 ARG A 76 -9.571 7.729 -3.730 1.00 34.32 H new ATOM 0 HH12 ARG A 76 -11.293 7.334 -3.752 1.00 34.32 H new ATOM 0 HH21 ARG A 76 -10.774 3.848 -3.751 1.00 25.23 H new ATOM 0 HH22 ARG A 76 -11.969 5.149 -3.763 1.00 25.23 H new ATOM 1345 N ASN A 77 -6.717 3.406 0.288 1.00 41.10 N ATOM 1346 CA ASN A 77 -7.656 3.149 1.375 1.00 25.41 C ATOM 1347 C ASN A 77 -6.987 3.379 2.730 1.00 5.01 C ATOM 1348 O ASN A 77 -7.599 3.922 3.649 1.00 43.40 O ATOM 1349 CB ASN A 77 -8.191 1.713 1.282 1.00 32.30 C ATOM 1350 CG ASN A 77 -9.383 1.456 2.190 1.00 14.15 C ATOM 1351 OD1 ASN A 77 -9.591 0.331 2.653 1.00 62.52 O ATOM 1352 ND2 ASN A 77 -10.177 2.484 2.441 1.00 55.11 N ATOM 0 H ASN A 77 -6.525 2.595 -0.300 1.00 41.10 H new ATOM 0 HA ASN A 77 -8.491 3.843 1.283 1.00 25.41 H new ATOM 0 HB2 ASN A 77 -8.477 1.505 0.251 1.00 32.30 H new ATOM 0 HB3 ASN A 77 -7.392 1.017 1.538 1.00 32.30 H new ATOM 0 HD21 ASN A 77 -10.996 2.362 3.037 1.00 55.11 H new ATOM 0 HD22 ASN A 77 -9.970 3.398 2.039 1.00 55.11 H new ATOM 1359 N ALA A 78 -5.721 2.984 2.836 1.00 63.32 N ATOM 1360 CA ALA A 78 -4.957 3.163 4.068 1.00 73.11 C ATOM 1361 C ALA A 78 -4.765 4.644 4.382 1.00 73.12 C ATOM 1362 O ALA A 78 -5.038 5.095 5.496 1.00 12.43 O ATOM 1363 CB ALA A 78 -3.611 2.463 3.958 1.00 72.21 C ATOM 0 H ALA A 78 -5.201 2.536 2.081 1.00 63.32 H new ATOM 0 HA ALA A 78 -5.520 2.716 4.887 1.00 73.11 H new ATOM 0 HB1 ALA A 78 -3.051 2.604 4.883 1.00 72.21 H new ATOM 0 HB2 ALA A 78 -3.768 1.398 3.787 1.00 72.21 H new ATOM 0 HB3 ALA A 78 -3.048 2.885 3.125 1.00 72.21 H new ATOM 1369 N PHE A 79 -4.304 5.397 3.389 1.00 15.34 N ATOM 1370 CA PHE A 79 -4.089 6.832 3.551 1.00 10.54 C ATOM 1371 C PHE A 79 -5.409 7.566 3.754 1.00 14.41 C ATOM 1372 O PHE A 79 -5.489 8.506 4.543 1.00 12.12 O ATOM 1373 CB PHE A 79 -3.367 7.413 2.338 1.00 75.04 C ATOM 1374 CG PHE A 79 -1.876 7.268 2.378 1.00 24.30 C ATOM 1375 CD1 PHE A 79 -1.113 8.115 3.165 1.00 2.30 C ATOM 1376 CD2 PHE A 79 -1.236 6.299 1.626 1.00 52.51 C ATOM 1377 CE1 PHE A 79 0.261 7.999 3.198 1.00 33.15 C ATOM 1378 CE2 PHE A 79 0.137 6.180 1.655 1.00 11.25 C ATOM 1379 CZ PHE A 79 0.888 7.030 2.443 1.00 24.53 C ATOM 0 H PHE A 79 -4.072 5.038 2.463 1.00 15.34 H new ATOM 0 HA PHE A 79 -3.469 6.970 4.437 1.00 10.54 H new ATOM 0 HB2 PHE A 79 -3.743 6.926 1.438 1.00 75.04 H new ATOM 0 HB3 PHE A 79 -3.615 8.471 2.255 1.00 75.04 H new ATOM 0 HD1 PHE A 79 -1.599 8.874 3.759 1.00 2.30 H new ATOM 0 HD2 PHE A 79 -1.818 5.629 1.010 1.00 52.51 H new ATOM 0 HE1 PHE A 79 0.845 8.666 3.814 1.00 33.15 H new ATOM 0 HE2 PHE A 79 0.626 5.422 1.061 1.00 11.25 H new ATOM 0 HZ PHE A 79 1.964 6.936 2.468 1.00 24.53 H new ATOM 1389 N ASP A 80 -6.439 7.125 3.043 1.00 45.54 N ATOM 1390 CA ASP A 80 -7.758 7.746 3.123 1.00 22.23 C ATOM 1391 C ASP A 80 -8.310 7.634 4.541 1.00 42.22 C ATOM 1392 O ASP A 80 -8.944 8.560 5.047 1.00 3.01 O ATOM 1393 CB ASP A 80 -8.712 7.080 2.127 1.00 45.24 C ATOM 1394 CG ASP A 80 -10.028 7.819 1.978 1.00 44.32 C ATOM 1395 OD1 ASP A 80 -10.956 7.563 2.770 1.00 25.05 O ATOM 1396 OD2 ASP A 80 -10.148 8.651 1.049 1.00 61.33 O ATOM 0 H ASP A 80 -6.387 6.335 2.400 1.00 45.54 H new ATOM 0 HA ASP A 80 -7.666 8.802 2.869 1.00 22.23 H new ATOM 0 HB2 ASP A 80 -8.225 7.017 1.154 1.00 45.24 H new ATOM 0 HB3 ASP A 80 -8.911 6.058 2.451 1.00 45.24 H new ATOM 1401 N ASP A 81 -8.039 6.501 5.182 1.00 64.13 N ATOM 1402 CA ASP A 81 -8.467 6.276 6.560 1.00 24.43 C ATOM 1403 C ASP A 81 -7.681 7.173 7.513 1.00 20.42 C ATOM 1404 O ASP A 81 -8.243 7.757 8.439 1.00 72.44 O ATOM 1405 CB ASP A 81 -8.276 4.806 6.940 1.00 71.31 C ATOM 1406 CG ASP A 81 -8.987 4.444 8.229 1.00 53.14 C ATOM 1407 OD1 ASP A 81 -10.220 4.240 8.189 1.00 12.41 O ATOM 1408 OD2 ASP A 81 -8.323 4.346 9.280 1.00 75.34 O ATOM 0 H ASP A 81 -7.524 5.723 4.769 1.00 64.13 H new ATOM 0 HA ASP A 81 -9.525 6.524 6.641 1.00 24.43 H new ATOM 0 HB2 ASP A 81 -8.648 4.174 6.134 1.00 71.31 H new ATOM 0 HB3 ASP A 81 -7.212 4.596 7.044 1.00 71.31 H new ATOM 1413 N ALA A 82 -6.379 7.297 7.261 1.00 55.32 N ATOM 1414 CA ALA A 82 -5.520 8.184 8.043 1.00 41.01 C ATOM 1415 C ALA A 82 -5.979 9.635 7.905 1.00 43.30 C ATOM 1416 O ALA A 82 -5.944 10.409 8.867 1.00 43.23 O ATOM 1417 CB ALA A 82 -4.070 8.036 7.604 1.00 14.11 C ATOM 0 H ALA A 82 -5.895 6.792 6.519 1.00 55.32 H new ATOM 0 HA ALA A 82 -5.594 7.902 9.093 1.00 41.01 H new ATOM 0 HB1 ALA A 82 -3.441 8.702 8.195 1.00 14.11 H new ATOM 0 HB2 ALA A 82 -3.748 7.006 7.754 1.00 14.11 H new ATOM 0 HB3 ALA A 82 -3.981 8.294 6.549 1.00 14.11 H new ATOM 1423 N ILE A 83 -6.405 9.997 6.701 1.00 50.31 N ATOM 1424 CA ILE A 83 -7.002 11.302 6.451 1.00 70.22 C ATOM 1425 C ILE A 83 -8.308 11.440 7.220 1.00 43.43 C ATOM 1426 O ILE A 83 -8.599 12.489 7.797 1.00 35.32 O ATOM 1427 CB ILE A 83 -7.276 11.518 4.944 1.00 4.32 C ATOM 1428 CG1 ILE A 83 -5.965 11.761 4.192 1.00 52.12 C ATOM 1429 CG2 ILE A 83 -8.253 12.670 4.725 1.00 34.23 C ATOM 1430 CD1 ILE A 83 -6.145 11.962 2.703 1.00 71.32 C ATOM 0 H ILE A 83 -6.347 9.399 5.877 1.00 50.31 H new ATOM 0 HA ILE A 83 -6.292 12.057 6.788 1.00 70.22 H new ATOM 0 HB ILE A 83 -7.736 10.613 4.547 1.00 4.32 H new ATOM 0 HG12 ILE A 83 -5.474 12.639 4.611 1.00 52.12 H new ATOM 0 HG13 ILE A 83 -5.299 10.914 4.357 1.00 52.12 H new ATOM 0 HG21 ILE A 83 -8.428 12.800 3.657 1.00 34.23 H new ATOM 0 HG22 ILE A 83 -9.197 12.447 5.223 1.00 34.23 H new ATOM 0 HG23 ILE A 83 -7.833 13.587 5.138 1.00 34.23 H new ATOM 0 HD11 ILE A 83 -5.173 12.129 2.238 1.00 71.32 H new ATOM 0 HD12 ILE A 83 -6.607 11.075 2.269 1.00 71.32 H new ATOM 0 HD13 ILE A 83 -6.784 12.827 2.527 1.00 71.32 H new ATOM 1442 N HIS A 84 -9.073 10.359 7.237 1.00 50.41 N ATOM 1443 CA HIS A 84 -10.393 10.351 7.846 1.00 44.35 C ATOM 1444 C HIS A 84 -10.319 10.643 9.345 1.00 73.13 C ATOM 1445 O HIS A 84 -11.133 11.399 9.874 1.00 62.31 O ATOM 1446 CB HIS A 84 -11.071 9.002 7.600 1.00 5.41 C ATOM 1447 CG HIS A 84 -12.522 8.993 7.949 1.00 2.00 C ATOM 1448 ND1 HIS A 84 -13.089 8.087 8.814 1.00 51.42 N ATOM 1449 CD2 HIS A 84 -13.528 9.783 7.520 1.00 30.52 C ATOM 1450 CE1 HIS A 84 -14.383 8.319 8.903 1.00 12.43 C ATOM 1451 NE2 HIS A 84 -14.679 9.344 8.126 1.00 35.23 N ATOM 0 H HIS A 84 -8.797 9.465 6.830 1.00 50.41 H new ATOM 0 HA HIS A 84 -10.985 11.141 7.384 1.00 44.35 H new ATOM 0 HB2 HIS A 84 -10.956 8.733 6.550 1.00 5.41 H new ATOM 0 HB3 HIS A 84 -10.560 8.236 8.183 1.00 5.41 H new ATOM 0 HD2 HIS A 84 -13.444 10.608 6.828 1.00 30.52 H new ATOM 0 HE1 HIS A 84 -15.083 7.764 9.510 1.00 12.43 H new ATOM 0 HE2 HIS A 84 -15.609 9.744 7.997 1.00 35.23 H new ATOM 1460 N GLU A 85 -9.344 10.046 10.026 1.00 12.14 N ATOM 1461 CA GLU A 85 -9.169 10.289 11.453 1.00 21.24 C ATOM 1462 C GLU A 85 -8.457 11.620 11.696 1.00 63.14 C ATOM 1463 O GLU A 85 -8.520 12.177 12.792 1.00 13.35 O ATOM 1464 CB GLU A 85 -8.399 9.145 12.122 1.00 5.24 C ATOM 1465 CG GLU A 85 -7.013 8.909 11.552 1.00 50.22 C ATOM 1466 CD GLU A 85 -6.149 8.071 12.472 1.00 70.42 C ATOM 1467 OE1 GLU A 85 -5.544 8.648 13.401 1.00 51.32 O ATOM 1468 OE2 GLU A 85 -6.071 6.839 12.281 1.00 62.35 O ATOM 0 H GLU A 85 -8.671 9.398 9.617 1.00 12.14 H new ATOM 0 HA GLU A 85 -10.161 10.339 11.901 1.00 21.24 H new ATOM 0 HB2 GLU A 85 -8.310 9.357 13.187 1.00 5.24 H new ATOM 0 HB3 GLU A 85 -8.979 8.227 12.027 1.00 5.24 H new ATOM 0 HG2 GLU A 85 -7.100 8.412 10.586 1.00 50.22 H new ATOM 0 HG3 GLU A 85 -6.527 9.868 11.375 1.00 50.22 H new ATOM 1475 N GLY A 86 -7.790 12.130 10.668 1.00 44.33 N ATOM 1476 CA GLY A 86 -7.114 13.411 10.780 1.00 1.53 C ATOM 1477 C GLY A 86 -5.650 13.263 11.130 1.00 62.44 C ATOM 1478 O GLY A 86 -4.982 14.242 11.467 1.00 14.50 O ATOM 0 H GLY A 86 -7.704 11.680 9.757 1.00 44.33 H new ATOM 0 HA2 GLY A 86 -7.206 13.951 9.838 1.00 1.53 H new ATOM 0 HA3 GLY A 86 -7.608 14.014 11.542 1.00 1.53 H new ATOM 1482 N TYR A 87 -5.149 12.040 11.038 1.00 63.21 N ATOM 1483 CA TYR A 87 -3.760 11.747 11.364 1.00 53.42 C ATOM 1484 C TYR A 87 -2.822 12.368 10.333 1.00 62.13 C ATOM 1485 O TYR A 87 -1.790 12.942 10.679 1.00 65.33 O ATOM 1486 CB TYR A 87 -3.553 10.233 11.443 1.00 43.44 C ATOM 1487 CG TYR A 87 -2.138 9.813 11.766 1.00 21.02 C ATOM 1488 CD1 TYR A 87 -1.425 10.422 12.792 1.00 71.43 C ATOM 1489 CD2 TYR A 87 -1.518 8.802 11.047 1.00 2.04 C ATOM 1490 CE1 TYR A 87 -0.132 10.038 13.086 1.00 24.40 C ATOM 1491 CE2 TYR A 87 -0.228 8.410 11.338 1.00 63.32 C ATOM 1492 CZ TYR A 87 0.462 9.032 12.355 1.00 22.13 C ATOM 1493 OH TYR A 87 1.753 8.653 12.632 1.00 45.12 O ATOM 0 H TYR A 87 -5.688 11.228 10.738 1.00 63.21 H new ATOM 0 HA TYR A 87 -3.527 12.184 12.335 1.00 53.42 H new ATOM 0 HB2 TYR A 87 -4.222 9.826 12.201 1.00 43.44 H new ATOM 0 HB3 TYR A 87 -3.843 9.789 10.491 1.00 43.44 H new ATOM 0 HD1 TYR A 87 -1.890 11.208 13.368 1.00 71.43 H new ATOM 0 HD2 TYR A 87 -2.054 8.314 10.246 1.00 2.04 H new ATOM 0 HE1 TYR A 87 0.411 10.523 13.884 1.00 24.40 H new ATOM 0 HE2 TYR A 87 0.239 7.619 10.771 1.00 63.32 H new ATOM 0 HH TYR A 87 1.940 8.798 13.583 1.00 45.12 H new ATOM 1503 N VAL A 88 -3.187 12.260 9.066 1.00 51.31 N ATOM 1504 CA VAL A 88 -2.425 12.893 8.008 1.00 24.32 C ATOM 1505 C VAL A 88 -3.365 13.738 7.145 1.00 31.43 C ATOM 1506 O VAL A 88 -4.465 13.303 6.803 1.00 53.23 O ATOM 1507 CB VAL A 88 -1.639 11.854 7.164 1.00 14.01 C ATOM 1508 CG1 VAL A 88 -2.556 11.020 6.283 1.00 13.52 C ATOM 1509 CG2 VAL A 88 -0.557 12.526 6.337 1.00 54.12 C ATOM 0 H VAL A 88 -4.005 11.740 8.748 1.00 51.31 H new ATOM 0 HA VAL A 88 -1.676 13.548 8.454 1.00 24.32 H new ATOM 0 HB VAL A 88 -1.159 11.172 7.866 1.00 14.01 H new ATOM 0 HG11 VAL A 88 -1.962 10.307 5.711 1.00 13.52 H new ATOM 0 HG12 VAL A 88 -3.268 10.480 6.907 1.00 13.52 H new ATOM 0 HG13 VAL A 88 -3.096 11.674 5.598 1.00 13.52 H new ATOM 0 HG21 VAL A 88 -0.023 11.774 5.756 1.00 54.12 H new ATOM 0 HG22 VAL A 88 -1.012 13.250 5.661 1.00 54.12 H new ATOM 0 HG23 VAL A 88 0.142 13.037 6.999 1.00 54.12 H new ATOM 1519 N ILE A 89 -2.955 14.966 6.857 1.00 60.10 N ATOM 1520 CA ILE A 89 -3.810 15.918 6.155 1.00 51.31 C ATOM 1521 C ILE A 89 -3.899 15.616 4.654 1.00 45.50 C ATOM 1522 O ILE A 89 -4.953 15.791 4.042 1.00 21.34 O ATOM 1523 CB ILE A 89 -3.325 17.377 6.374 1.00 13.41 C ATOM 1524 CG1 ILE A 89 -4.216 18.364 5.610 1.00 43.11 C ATOM 1525 CG2 ILE A 89 -1.866 17.535 5.961 1.00 62.31 C ATOM 1526 CD1 ILE A 89 -3.823 19.816 5.796 1.00 21.32 C ATOM 0 H ILE A 89 -2.033 15.329 7.099 1.00 60.10 H new ATOM 0 HA ILE A 89 -4.808 15.811 6.579 1.00 51.31 H new ATOM 0 HB ILE A 89 -3.399 17.602 7.438 1.00 13.41 H new ATOM 0 HG12 ILE A 89 -4.182 18.122 4.548 1.00 43.11 H new ATOM 0 HG13 ILE A 89 -5.248 18.233 5.934 1.00 43.11 H new ATOM 0 HG21 ILE A 89 -1.551 18.566 6.124 1.00 62.31 H new ATOM 0 HG22 ILE A 89 -1.245 16.867 6.557 1.00 62.31 H new ATOM 0 HG23 ILE A 89 -1.758 17.285 4.906 1.00 62.31 H new ATOM 0 HD11 ILE A 89 -4.499 20.452 5.225 1.00 21.32 H new ATOM 0 HD12 ILE A 89 -3.885 20.077 6.852 1.00 21.32 H new ATOM 0 HD13 ILE A 89 -2.802 19.964 5.444 1.00 21.32 H new ATOM 1538 N LYS A 90 -2.804 15.145 4.075 1.00 43.12 N ATOM 1539 CA LYS A 90 -2.751 14.893 2.643 1.00 20.41 C ATOM 1540 C LYS A 90 -2.061 13.566 2.365 1.00 71.02 C ATOM 1541 O LYS A 90 -1.258 13.099 3.172 1.00 42.23 O ATOM 1542 CB LYS A 90 -2.023 16.038 1.927 1.00 51.41 C ATOM 1543 CG LYS A 90 -0.617 16.293 2.449 1.00 33.12 C ATOM 1544 CD LYS A 90 -0.002 17.530 1.814 1.00 63.23 C ATOM 1545 CE LYS A 90 1.377 17.818 2.388 1.00 61.55 C ATOM 1546 NZ LYS A 90 1.962 19.071 1.838 1.00 74.25 N ATOM 0 H LYS A 90 -1.941 14.930 4.575 1.00 43.12 H new ATOM 0 HA LYS A 90 -3.770 14.839 2.260 1.00 20.41 H new ATOM 0 HB2 LYS A 90 -1.970 15.812 0.862 1.00 51.41 H new ATOM 0 HB3 LYS A 90 -2.610 16.951 2.031 1.00 51.41 H new ATOM 0 HG2 LYS A 90 -0.646 16.415 3.532 1.00 33.12 H new ATOM 0 HG3 LYS A 90 0.011 15.426 2.243 1.00 33.12 H new ATOM 0 HD2 LYS A 90 0.073 17.389 0.736 1.00 63.23 H new ATOM 0 HD3 LYS A 90 -0.653 18.388 1.979 1.00 63.23 H new ATOM 0 HE2 LYS A 90 1.308 17.896 3.473 1.00 61.55 H new ATOM 0 HE3 LYS A 90 2.042 16.982 2.170 1.00 61.55 H new ATOM 0 HZ1 LYS A 90 2.901 19.228 2.256 1.00 74.25 H new ATOM 0 HZ2 LYS A 90 2.052 18.988 0.805 1.00 74.25 H new ATOM 0 HZ3 LYS A 90 1.342 19.874 2.068 1.00 74.25 H new ATOM 1560 N ASN A 91 -2.377 12.966 1.230 1.00 33.44 N ATOM 1561 CA ASN A 91 -1.852 11.654 0.889 1.00 53.33 C ATOM 1562 C ASN A 91 -1.432 11.596 -0.579 1.00 43.40 C ATOM 1563 O ASN A 91 -1.678 12.537 -1.343 1.00 45.03 O ATOM 1564 CB ASN A 91 -2.911 10.575 1.169 1.00 24.24 C ATOM 1565 CG ASN A 91 -4.059 10.570 0.164 1.00 14.23 C ATOM 1566 OD1 ASN A 91 -4.479 11.611 -0.342 1.00 62.04 O ATOM 1567 ND2 ASN A 91 -4.572 9.385 -0.138 1.00 24.41 N ATOM 0 H ASN A 91 -2.997 13.368 0.527 1.00 33.44 H new ATOM 0 HA ASN A 91 -0.973 11.469 1.506 1.00 53.33 H new ATOM 0 HB2 ASN A 91 -2.431 9.597 1.164 1.00 24.24 H new ATOM 0 HB3 ASN A 91 -3.316 10.726 2.170 1.00 24.24 H new ATOM 0 HD21 ASN A 91 -5.338 9.317 -0.808 1.00 24.41 H new ATOM 0 HD22 ASN A 91 -4.200 8.542 0.300 1.00 24.41 H new ATOM 1574 N PRO A 92 -0.750 10.510 -0.986 1.00 2.25 N ATOM 1575 CA PRO A 92 -0.502 10.207 -2.397 1.00 2.42 C ATOM 1576 C PRO A 92 -1.796 9.834 -3.122 1.00 63.13 C ATOM 1577 O PRO A 92 -2.865 10.328 -2.777 1.00 63.40 O ATOM 1578 CB PRO A 92 0.448 9.002 -2.354 1.00 44.41 C ATOM 1579 CG PRO A 92 0.960 8.947 -0.958 1.00 21.12 C ATOM 1580 CD PRO A 92 -0.123 9.518 -0.101 1.00 53.44 C ATOM 0 HA PRO A 92 -0.090 11.061 -2.935 1.00 2.42 H new ATOM 0 HB2 PRO A 92 -0.074 8.082 -2.617 1.00 44.41 H new ATOM 0 HB3 PRO A 92 1.264 9.120 -3.067 1.00 44.41 H new ATOM 0 HG2 PRO A 92 1.189 7.922 -0.666 1.00 21.12 H new ATOM 0 HG3 PRO A 92 1.881 9.521 -0.857 1.00 21.12 H new ATOM 0 HD2 PRO A 92 -0.832 8.754 0.217 1.00 53.44 H new ATOM 0 HD3 PRO A 92 0.277 9.978 0.803 1.00 53.44 H new ATOM 1588 N THR A 93 -1.682 8.981 -4.144 1.00 61.03 N ATOM 1589 CA THR A 93 -2.836 8.493 -4.920 1.00 64.42 C ATOM 1590 C THR A 93 -3.688 9.642 -5.476 1.00 32.24 C ATOM 1591 O THR A 93 -4.823 9.439 -5.899 1.00 3.14 O ATOM 1592 CB THR A 93 -3.729 7.534 -4.084 1.00 54.21 C ATOM 1593 OG1 THR A 93 -4.276 8.195 -2.934 1.00 50.13 O ATOM 1594 CG2 THR A 93 -2.931 6.325 -3.623 1.00 73.22 C ATOM 0 H THR A 93 -0.788 8.606 -4.461 1.00 61.03 H new ATOM 0 HA THR A 93 -2.421 7.938 -5.761 1.00 64.42 H new ATOM 0 HB THR A 93 -4.547 7.213 -4.729 1.00 54.21 H new ATOM 0 HG1 THR A 93 -4.110 9.158 -3.001 1.00 50.13 H new ATOM 0 HG21 THR A 93 -3.574 5.666 -3.039 1.00 73.22 H new ATOM 0 HG22 THR A 93 -2.552 5.787 -4.492 1.00 73.22 H new ATOM 0 HG23 THR A 93 -2.094 6.655 -3.007 1.00 73.22 H new ATOM 1602 N TYR A 94 -3.111 10.838 -5.507 1.00 72.24 N ATOM 1603 CA TYR A 94 -3.835 12.037 -5.901 1.00 1.13 C ATOM 1604 C TYR A 94 -3.934 12.142 -7.418 1.00 74.12 C ATOM 1605 O TYR A 94 -5.021 12.270 -7.974 1.00 43.24 O ATOM 1606 CB TYR A 94 -3.130 13.268 -5.323 1.00 4.23 C ATOM 1607 CG TYR A 94 -3.814 14.583 -5.622 1.00 62.44 C ATOM 1608 CD1 TYR A 94 -4.871 15.030 -4.840 1.00 73.42 C ATOM 1609 CD2 TYR A 94 -3.396 15.379 -6.679 1.00 3.31 C ATOM 1610 CE1 TYR A 94 -5.494 16.235 -5.105 1.00 74.22 C ATOM 1611 CE2 TYR A 94 -4.014 16.584 -6.952 1.00 51.41 C ATOM 1612 CZ TYR A 94 -5.062 17.007 -6.162 1.00 11.54 C ATOM 1613 OH TYR A 94 -5.683 18.207 -6.431 1.00 41.42 O ATOM 0 H TYR A 94 -2.135 11.002 -5.261 1.00 72.24 H new ATOM 0 HA TYR A 94 -4.850 11.982 -5.506 1.00 1.13 H new ATOM 0 HB2 TYR A 94 -3.052 13.152 -4.242 1.00 4.23 H new ATOM 0 HB3 TYR A 94 -2.113 13.305 -5.714 1.00 4.23 H new ATOM 0 HD1 TYR A 94 -5.212 14.426 -4.012 1.00 73.42 H new ATOM 0 HD2 TYR A 94 -2.574 15.051 -7.298 1.00 3.31 H new ATOM 0 HE1 TYR A 94 -6.314 16.570 -4.488 1.00 74.22 H new ATOM 0 HE2 TYR A 94 -3.678 17.191 -7.780 1.00 51.41 H new ATOM 0 HH TYR A 94 -5.258 18.628 -7.207 1.00 41.42 H new ATOM 1623 N LYS A 95 -2.790 12.085 -8.083 1.00 24.34 N ATOM 1624 CA LYS A 95 -2.743 12.217 -9.533 1.00 4.52 C ATOM 1625 C LYS A 95 -1.881 11.116 -10.134 1.00 1.13 C ATOM 1626 O LYS A 95 -1.419 11.215 -11.272 1.00 40.25 O ATOM 1627 CB LYS A 95 -2.204 13.598 -9.916 1.00 35.22 C ATOM 1628 CG LYS A 95 -0.771 13.849 -9.470 1.00 4.05 C ATOM 1629 CD LYS A 95 -0.388 15.313 -9.625 1.00 14.50 C ATOM 1630 CE LYS A 95 -0.612 15.814 -11.045 1.00 4.03 C ATOM 1631 NZ LYS A 95 -0.335 17.268 -11.166 1.00 34.54 N ATOM 0 H LYS A 95 -1.880 11.948 -7.642 1.00 24.34 H new ATOM 0 HA LYS A 95 -3.752 12.117 -9.932 1.00 4.52 H new ATOM 0 HB2 LYS A 95 -2.262 13.712 -10.999 1.00 35.22 H new ATOM 0 HB3 LYS A 95 -2.848 14.362 -9.480 1.00 35.22 H new ATOM 0 HG2 LYS A 95 -0.655 13.550 -8.428 1.00 4.05 H new ATOM 0 HG3 LYS A 95 -0.092 13.230 -10.057 1.00 4.05 H new ATOM 0 HD2 LYS A 95 -0.973 15.916 -8.931 1.00 14.50 H new ATOM 0 HD3 LYS A 95 0.660 15.444 -9.355 1.00 14.50 H new ATOM 0 HE2 LYS A 95 0.032 15.263 -11.731 1.00 4.03 H new ATOM 0 HE3 LYS A 95 -1.641 15.614 -11.343 1.00 4.03 H new ATOM 0 HZ1 LYS A 95 -0.499 17.572 -12.147 1.00 34.54 H new ATOM 0 HZ2 LYS A 95 -0.966 17.796 -10.530 1.00 34.54 H new ATOM 0 HZ3 LYS A 95 0.654 17.456 -10.906 1.00 34.54 H new ATOM 1645 N ALA A 96 -1.685 10.059 -9.359 1.00 53.44 N ATOM 1646 CA ALA A 96 -0.872 8.934 -9.789 1.00 33.12 C ATOM 1647 C ALA A 96 -1.656 8.046 -10.742 1.00 50.33 C ATOM 1648 O ALA A 96 -2.839 7.774 -10.520 1.00 22.43 O ATOM 1649 CB ALA A 96 -0.391 8.133 -8.587 1.00 51.05 C ATOM 0 H ALA A 96 -2.081 9.958 -8.424 1.00 53.44 H new ATOM 0 HA ALA A 96 0.000 9.320 -10.316 1.00 33.12 H new ATOM 0 HB1 ALA A 96 0.216 7.294 -8.928 1.00 51.05 H new ATOM 0 HB2 ALA A 96 0.206 8.774 -7.938 1.00 51.05 H new ATOM 0 HB3 ALA A 96 -1.251 7.757 -8.033 1.00 51.05 H new ATOM 1655 N GLU A 97 -1.003 7.608 -11.803 1.00 14.44 N ATOM 1656 CA GLU A 97 -1.641 6.762 -12.796 1.00 63.20 C ATOM 1657 C GLU A 97 -1.124 5.331 -12.699 1.00 11.22 C ATOM 1658 O GLU A 97 -0.174 5.055 -11.962 1.00 54.43 O ATOM 1659 CB GLU A 97 -1.440 7.345 -14.196 1.00 50.55 C ATOM 1660 CG GLU A 97 -0.023 7.819 -14.468 1.00 31.41 C ATOM 1661 CD GLU A 97 0.741 6.881 -15.371 1.00 33.04 C ATOM 1662 OE1 GLU A 97 1.033 5.746 -14.950 1.00 44.42 O ATOM 1663 OE2 GLU A 97 1.058 7.283 -16.509 1.00 21.15 O ATOM 0 H GLU A 97 -0.026 7.825 -12.000 1.00 14.44 H new ATOM 0 HA GLU A 97 -2.713 6.732 -12.598 1.00 63.20 H new ATOM 0 HB2 GLU A 97 -1.708 6.590 -14.935 1.00 50.55 H new ATOM 0 HB3 GLU A 97 -2.125 8.182 -14.332 1.00 50.55 H new ATOM 0 HG2 GLU A 97 -0.056 8.809 -14.923 1.00 31.41 H new ATOM 0 HG3 GLU A 97 0.510 7.921 -13.522 1.00 31.41 H new ATOM 1670 N LEU A 98 -1.751 4.427 -13.444 1.00 74.03 N ATOM 1671 CA LEU A 98 -1.484 3.001 -13.308 1.00 61.23 C ATOM 1672 C LEU A 98 -1.064 2.379 -14.634 1.00 31.41 C ATOM 1673 O LEU A 98 -1.411 1.232 -14.919 1.00 71.41 O ATOM 1674 CB LEU A 98 -2.743 2.290 -12.799 1.00 74.05 C ATOM 1675 CG LEU A 98 -3.247 2.742 -11.428 1.00 22.32 C ATOM 1676 CD1 LEU A 98 -4.576 2.080 -11.105 1.00 51.20 C ATOM 1677 CD2 LEU A 98 -2.224 2.416 -10.354 1.00 44.53 C ATOM 0 H LEU A 98 -2.450 4.658 -14.150 1.00 74.03 H new ATOM 0 HA LEU A 98 -0.665 2.881 -12.599 1.00 61.23 H new ATOM 0 HB2 LEU A 98 -3.541 2.437 -13.527 1.00 74.05 H new ATOM 0 HB3 LEU A 98 -2.543 1.219 -12.758 1.00 74.05 H new ATOM 0 HG LEU A 98 -3.394 3.822 -11.454 1.00 22.32 H new ATOM 0 HD11 LEU A 98 -4.920 2.413 -10.126 1.00 51.20 H new ATOM 0 HD12 LEU A 98 -5.312 2.354 -11.861 1.00 51.20 H new ATOM 0 HD13 LEU A 98 -4.451 0.997 -11.097 1.00 51.20 H new ATOM 0 HD21 LEU A 98 -2.598 2.744 -9.384 1.00 44.53 H new ATOM 0 HD22 LEU A 98 -2.051 1.340 -10.331 1.00 44.53 H new ATOM 0 HD23 LEU A 98 -1.288 2.930 -10.575 1.00 44.53 H new ATOM 1689 N HIS A 99 -0.309 3.113 -15.443 1.00 20.55 N ATOM 1690 CA HIS A 99 0.096 2.590 -16.740 1.00 22.32 C ATOM 1691 C HIS A 99 1.220 1.568 -16.560 1.00 65.32 C ATOM 1692 O HIS A 99 2.208 1.823 -15.869 1.00 33.43 O ATOM 1693 CB HIS A 99 0.500 3.726 -17.704 1.00 4.43 C ATOM 1694 CG HIS A 99 1.969 4.041 -17.755 1.00 25.32 C ATOM 1695 ND1 HIS A 99 2.605 4.838 -16.835 1.00 40.52 N ATOM 1696 CD2 HIS A 99 2.923 3.657 -18.636 1.00 32.24 C ATOM 1697 CE1 HIS A 99 3.883 4.938 -17.146 1.00 15.34 C ATOM 1698 NE2 HIS A 99 4.106 4.228 -18.236 1.00 21.32 N ATOM 0 H HIS A 99 0.029 4.052 -15.230 1.00 20.55 H new ATOM 0 HA HIS A 99 -0.755 2.084 -17.195 1.00 22.32 H new ATOM 0 HB2 HIS A 99 0.168 3.462 -18.708 1.00 4.43 H new ATOM 0 HB3 HIS A 99 -0.038 4.630 -17.418 1.00 4.43 H new ATOM 0 HD1 HIS A 99 2.158 5.284 -16.034 1.00 40.52 H new ATOM 0 HD2 HIS A 99 2.780 3.019 -19.495 1.00 32.24 H new ATOM 0 HE1 HIS A 99 4.622 5.505 -16.600 1.00 15.34 H new ATOM 1707 N ALA A 100 1.050 0.410 -17.171 1.00 54.33 N ATOM 1708 CA ALA A 100 2.029 -0.658 -17.072 1.00 35.11 C ATOM 1709 C ALA A 100 2.655 -0.921 -18.433 1.00 44.24 C ATOM 1710 O ALA A 100 1.952 -1.254 -19.388 1.00 74.21 O ATOM 1711 CB ALA A 100 1.376 -1.922 -16.528 1.00 64.52 C ATOM 0 H ALA A 100 0.238 0.184 -17.745 1.00 54.33 H new ATOM 0 HA ALA A 100 2.816 -0.354 -16.382 1.00 35.11 H new ATOM 0 HB1 ALA A 100 2.120 -2.715 -16.459 1.00 64.52 H new ATOM 0 HB2 ALA A 100 0.965 -1.722 -15.538 1.00 64.52 H new ATOM 0 HB3 ALA A 100 0.574 -2.234 -17.197 1.00 64.52 H new ATOM 1717 N SER A 101 3.971 -0.765 -18.525 1.00 24.12 N ATOM 1718 CA SER A 101 4.685 -0.969 -19.784 1.00 55.30 C ATOM 1719 C SER A 101 4.906 -2.459 -20.055 1.00 11.12 C ATOM 1720 O SER A 101 6.023 -2.902 -20.338 1.00 20.43 O ATOM 1721 CB SER A 101 6.022 -0.225 -19.753 1.00 64.34 C ATOM 1722 OG SER A 101 5.829 1.152 -19.464 1.00 3.23 O ATOM 0 H SER A 101 4.568 -0.497 -17.742 1.00 24.12 H new ATOM 0 HA SER A 101 4.076 -0.569 -20.594 1.00 55.30 H new ATOM 0 HB2 SER A 101 6.673 -0.671 -19.001 1.00 64.34 H new ATOM 0 HB3 SER A 101 6.525 -0.332 -20.714 1.00 64.34 H new ATOM 0 HG SER A 101 6.697 1.608 -19.447 1.00 3.23 H new ATOM 1728 N VAL A 102 3.821 -3.219 -19.955 1.00 62.24 N ATOM 1729 CA VAL A 102 3.829 -4.647 -20.237 1.00 54.21 C ATOM 1730 C VAL A 102 2.589 -4.999 -21.073 1.00 74.33 C ATOM 1731 O VAL A 102 2.342 -6.157 -21.411 1.00 43.41 O ATOM 1732 CB VAL A 102 3.831 -5.480 -18.923 1.00 34.40 C ATOM 1733 CG1 VAL A 102 4.059 -6.958 -19.204 1.00 31.31 C ATOM 1734 CG2 VAL A 102 4.875 -4.964 -17.940 1.00 63.32 C ATOM 0 H VAL A 102 2.909 -2.859 -19.675 1.00 62.24 H new ATOM 0 HA VAL A 102 4.737 -4.889 -20.790 1.00 54.21 H new ATOM 0 HB VAL A 102 2.847 -5.365 -18.469 1.00 34.40 H new ATOM 0 HG11 VAL A 102 4.055 -7.512 -18.265 1.00 31.31 H new ATOM 0 HG12 VAL A 102 3.265 -7.332 -19.850 1.00 31.31 H new ATOM 0 HG13 VAL A 102 5.021 -7.090 -19.699 1.00 31.31 H new ATOM 0 HG21 VAL A 102 4.850 -5.568 -17.033 1.00 63.32 H new ATOM 0 HG22 VAL A 102 5.864 -5.029 -18.392 1.00 63.32 H new ATOM 0 HG23 VAL A 102 4.658 -3.925 -17.691 1.00 63.32 H new ATOM 1744 N LEU A 103 1.823 -3.972 -21.433 1.00 1.24 N ATOM 1745 CA LEU A 103 0.517 -4.170 -22.062 1.00 4.10 C ATOM 1746 C LEU A 103 0.389 -3.362 -23.354 1.00 33.13 C ATOM 1747 O LEU A 103 -0.722 -3.127 -23.839 1.00 14.22 O ATOM 1748 CB LEU A 103 -0.595 -3.761 -21.090 1.00 24.10 C ATOM 1749 CG LEU A 103 -0.639 -4.542 -19.772 1.00 23.20 C ATOM 1750 CD1 LEU A 103 -1.687 -3.956 -18.840 1.00 43.25 C ATOM 1751 CD2 LEU A 103 -0.926 -6.015 -20.028 1.00 51.24 C ATOM 0 H LEU A 103 2.083 -2.995 -21.301 1.00 1.24 H new ATOM 0 HA LEU A 103 0.422 -5.227 -22.311 1.00 4.10 H new ATOM 0 HB2 LEU A 103 -0.482 -2.701 -20.861 1.00 24.10 H new ATOM 0 HB3 LEU A 103 -1.555 -3.877 -21.593 1.00 24.10 H new ATOM 0 HG LEU A 103 0.337 -4.459 -19.295 1.00 23.20 H new ATOM 0 HD11 LEU A 103 -1.704 -4.523 -17.909 1.00 43.25 H new ATOM 0 HD12 LEU A 103 -1.443 -2.915 -18.626 1.00 43.25 H new ATOM 0 HD13 LEU A 103 -2.667 -4.009 -19.315 1.00 43.25 H new ATOM 0 HD21 LEU A 103 -0.953 -6.551 -19.079 1.00 51.24 H new ATOM 0 HD22 LEU A 103 -1.889 -6.116 -20.529 1.00 51.24 H new ATOM 0 HD23 LEU A 103 -0.142 -6.434 -20.659 1.00 51.24 H new ATOM 1763 N GLU A 104 1.527 -2.967 -23.916 1.00 75.51 N ATOM 1764 CA GLU A 104 1.569 -2.112 -25.108 1.00 32.11 C ATOM 1765 C GLU A 104 0.849 -2.730 -26.303 1.00 41.31 C ATOM 1766 O GLU A 104 0.448 -2.011 -27.220 1.00 73.23 O ATOM 1767 CB GLU A 104 3.018 -1.789 -25.485 1.00 54.01 C ATOM 1768 CG GLU A 104 3.643 -0.687 -24.640 1.00 31.44 C ATOM 1769 CD GLU A 104 3.422 -0.894 -23.159 1.00 20.22 C ATOM 1770 OE1 GLU A 104 3.782 -1.972 -22.655 1.00 45.10 O ATOM 1771 OE2 GLU A 104 2.852 0.006 -22.508 1.00 33.23 O ATOM 0 H GLU A 104 2.447 -3.228 -23.562 1.00 75.51 H new ATOM 0 HA GLU A 104 1.042 -1.193 -24.851 1.00 32.11 H new ATOM 0 HB2 GLU A 104 3.619 -2.693 -25.388 1.00 54.01 H new ATOM 0 HB3 GLU A 104 3.053 -1.494 -26.534 1.00 54.01 H new ATOM 0 HG2 GLU A 104 4.713 -0.643 -24.841 1.00 31.44 H new ATOM 0 HG3 GLU A 104 3.223 0.275 -24.935 1.00 31.44 H new ATOM 1778 N HIS A 105 0.707 -4.058 -26.300 1.00 23.15 N ATOM 1779 CA HIS A 105 -0.072 -4.755 -27.324 1.00 22.40 C ATOM 1780 C HIS A 105 0.576 -4.580 -28.699 1.00 51.35 C ATOM 1781 O HIS A 105 -0.107 -4.417 -29.707 1.00 41.51 O ATOM 1782 CB HIS A 105 -1.504 -4.201 -27.336 1.00 14.44 C ATOM 1783 CG HIS A 105 -2.554 -5.188 -27.743 1.00 23.24 C ATOM 1784 ND1 HIS A 105 -3.500 -5.665 -26.867 1.00 13.51 N ATOM 1785 CD2 HIS A 105 -2.825 -5.768 -28.938 1.00 24.43 C ATOM 1786 CE1 HIS A 105 -4.306 -6.497 -27.500 1.00 44.20 C ATOM 1787 NE2 HIS A 105 -3.920 -6.576 -28.760 1.00 24.15 N ATOM 0 H HIS A 105 1.122 -4.672 -25.599 1.00 23.15 H new ATOM 0 HA HIS A 105 -0.098 -5.820 -27.093 1.00 22.40 H new ATOM 0 HB2 HIS A 105 -1.743 -3.827 -26.340 1.00 14.44 H new ATOM 0 HB3 HIS A 105 -1.544 -3.349 -28.014 1.00 14.44 H new ATOM 0 HD2 HIS A 105 -2.280 -5.621 -29.859 1.00 24.43 H new ATOM 0 HE1 HIS A 105 -5.140 -7.024 -27.061 1.00 44.20 H new ATOM 0 HE2 HIS A 105 -4.363 -7.144 -29.482 1.00 24.15 H new ATOM 1796 N HIS A 106 1.899 -4.651 -28.734 1.00 42.21 N ATOM 1797 CA HIS A 106 2.644 -4.328 -29.946 1.00 33.01 C ATOM 1798 C HIS A 106 3.057 -5.593 -30.699 1.00 2.54 C ATOM 1799 O HIS A 106 4.075 -5.610 -31.386 1.00 35.43 O ATOM 1800 CB HIS A 106 3.878 -3.493 -29.584 1.00 31.24 C ATOM 1801 CG HIS A 106 4.450 -2.721 -30.738 1.00 43.43 C ATOM 1802 ND1 HIS A 106 5.758 -2.840 -31.155 1.00 63.25 N ATOM 1803 CD2 HIS A 106 3.883 -1.796 -31.549 1.00 50.30 C ATOM 1804 CE1 HIS A 106 5.970 -2.022 -32.170 1.00 73.52 C ATOM 1805 NE2 HIS A 106 4.848 -1.379 -32.428 1.00 52.24 N ATOM 0 H HIS A 106 2.478 -4.928 -27.941 1.00 42.21 H new ATOM 0 HA HIS A 106 1.997 -3.750 -30.605 1.00 33.01 H new ATOM 0 HB2 HIS A 106 3.613 -2.796 -28.789 1.00 31.24 H new ATOM 0 HB3 HIS A 106 4.647 -4.154 -29.185 1.00 31.24 H new ATOM 0 HD2 HIS A 106 2.860 -1.451 -31.510 1.00 50.30 H new ATOM 0 HE1 HIS A 106 6.904 -1.900 -32.699 1.00 73.52 H new ATOM 0 HE2 HIS A 106 4.719 -0.684 -33.163 1.00 52.24 H new ATOM 1814 N HIS A 107 2.253 -6.651 -30.560 1.00 43.33 N ATOM 1815 CA HIS A 107 2.466 -7.920 -31.274 1.00 73.30 C ATOM 1816 C HIS A 107 3.728 -8.643 -30.808 1.00 2.12 C ATOM 1817 O HIS A 107 4.092 -9.684 -31.358 1.00 11.22 O ATOM 1818 CB HIS A 107 2.543 -7.704 -32.792 1.00 5.23 C ATOM 1819 CG HIS A 107 1.269 -7.224 -33.410 1.00 1.31 C ATOM 1820 ND1 HIS A 107 0.299 -8.075 -33.891 1.00 53.34 N ATOM 1821 CD2 HIS A 107 0.815 -5.972 -33.638 1.00 14.22 C ATOM 1822 CE1 HIS A 107 -0.695 -7.368 -34.390 1.00 51.25 C ATOM 1823 NE2 HIS A 107 -0.407 -6.088 -34.249 1.00 70.13 N ATOM 0 H HIS A 107 1.435 -6.655 -29.950 1.00 43.33 H new ATOM 0 HA HIS A 107 1.604 -8.544 -31.040 1.00 73.30 H new ATOM 0 HB2 HIS A 107 3.331 -6.982 -33.005 1.00 5.23 H new ATOM 0 HB3 HIS A 107 2.833 -8.642 -33.266 1.00 5.23 H new ATOM 0 HD2 HIS A 107 1.320 -5.051 -33.386 1.00 14.22 H new ATOM 0 HE1 HIS A 107 -1.593 -7.768 -34.838 1.00 51.25 H new ATOM 0 HE2 HIS A 107 -0.997 -5.311 -34.546 1.00 70.13 H new ATOM 1832 N HIS A 108 4.388 -8.108 -29.792 1.00 35.00 N ATOM 1833 CA HIS A 108 5.614 -8.713 -29.290 1.00 53.33 C ATOM 1834 C HIS A 108 5.295 -9.904 -28.400 1.00 61.40 C ATOM 1835 O HIS A 108 6.069 -10.856 -28.336 1.00 0.14 O ATOM 1836 CB HIS A 108 6.447 -7.688 -28.507 1.00 11.42 C ATOM 1837 CG HIS A 108 7.778 -8.216 -28.046 1.00 34.45 C ATOM 1838 ND1 HIS A 108 7.921 -9.040 -26.951 1.00 13.21 N ATOM 1839 CD2 HIS A 108 9.025 -8.039 -28.543 1.00 23.13 C ATOM 1840 CE1 HIS A 108 9.194 -9.347 -26.796 1.00 72.25 C ATOM 1841 NE2 HIS A 108 9.891 -8.753 -27.748 1.00 30.41 N ATOM 0 H HIS A 108 4.099 -7.262 -29.301 1.00 35.00 H new ATOM 0 HA HIS A 108 6.195 -9.055 -30.147 1.00 53.33 H new ATOM 0 HB2 HIS A 108 6.611 -6.812 -29.134 1.00 11.42 H new ATOM 0 HB3 HIS A 108 5.877 -7.357 -27.639 1.00 11.42 H new ATOM 0 HD1 HIS A 108 7.160 -9.362 -26.353 1.00 13.21 H new ATOM 0 HD2 HIS A 108 9.291 -7.446 -29.406 1.00 23.13 H new ATOM 0 HE1 HIS A 108 9.599 -9.979 -26.020 1.00 72.25 H new ATOM 1850 N HIS A 109 4.140 -9.842 -27.734 1.00 45.50 N ATOM 1851 CA HIS A 109 3.755 -10.829 -26.719 1.00 72.22 C ATOM 1852 C HIS A 109 4.625 -10.684 -25.475 1.00 20.33 C ATOM 1853 O HIS A 109 5.711 -10.096 -25.523 1.00 24.22 O ATOM 1854 CB HIS A 109 3.845 -12.265 -27.248 1.00 72.24 C ATOM 1855 CG HIS A 109 2.739 -12.653 -28.182 1.00 42.01 C ATOM 1856 ND1 HIS A 109 1.689 -13.454 -27.798 1.00 61.13 N ATOM 1857 CD2 HIS A 109 2.531 -12.365 -29.488 1.00 43.22 C ATOM 1858 CE1 HIS A 109 0.884 -13.645 -28.824 1.00 33.12 C ATOM 1859 NE2 HIS A 109 1.370 -12.995 -29.865 1.00 43.25 N ATOM 0 H HIS A 109 3.446 -9.109 -27.881 1.00 45.50 H new ATOM 0 HA HIS A 109 2.714 -10.632 -26.461 1.00 72.22 H new ATOM 0 HB2 HIS A 109 4.798 -12.391 -27.762 1.00 72.24 H new ATOM 0 HB3 HIS A 109 3.846 -12.951 -26.401 1.00 72.24 H new ATOM 0 HD2 HIS A 109 3.161 -11.753 -30.117 1.00 43.22 H new ATOM 0 HE1 HIS A 109 -0.021 -14.234 -28.815 1.00 33.12 H new ATOM 0 HE2 HIS A 109 0.953 -12.965 -30.795 1.00 43.25 H new ATOM 1868 N HIS A 110 4.139 -11.202 -24.361 1.00 52.14 N ATOM 1869 CA HIS A 110 4.876 -11.143 -23.111 1.00 24.01 C ATOM 1870 C HIS A 110 4.336 -12.199 -22.157 1.00 14.42 C ATOM 1871 O HIS A 110 3.509 -11.852 -21.293 1.00 38.19 O ATOM 1872 CB HIS A 110 4.752 -9.750 -22.490 1.00 34.44 C ATOM 1873 CG HIS A 110 5.845 -9.421 -21.521 1.00 45.24 C ATOM 1874 ND1 HIS A 110 5.873 -9.881 -20.224 1.00 31.13 N ATOM 1875 CD2 HIS A 110 6.959 -8.669 -21.674 1.00 43.32 C ATOM 1876 CE1 HIS A 110 6.956 -9.426 -19.623 1.00 73.52 C ATOM 1877 NE2 HIS A 110 7.633 -8.689 -20.482 1.00 54.24 N ATOM 1878 OXT HIS A 110 4.702 -13.382 -22.312 1.00 38.19 O ATOM 0 H HIS A 110 3.235 -11.669 -24.296 1.00 52.14 H new ATOM 0 HA HIS A 110 5.931 -11.340 -23.303 1.00 24.01 H new ATOM 0 HB2 HIS A 110 4.749 -9.006 -23.287 1.00 34.44 H new ATOM 0 HB3 HIS A 110 3.792 -9.674 -21.980 1.00 34.44 H new ATOM 0 HD2 HIS A 110 7.261 -8.149 -22.571 1.00 43.32 H new ATOM 0 HE1 HIS A 110 7.240 -9.624 -18.600 1.00 73.52 H new ATOM 0 HE2 HIS A 110 8.514 -8.212 -20.290 1.00 54.24 H new TER 1887 HIS A 110