USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 719 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 NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 88 ZNZN :(H bumps) USER MOD Set 1.1: A 59 THR OG1 : rot 180:sc= 0.0167 USER MOD Set 1.2: A 79 THR OG1 : rot -120:sc= -3.1! USER MOD Set 2.1: A 21 SER OG : rot 100:sc= -0.128 USER MOD Set 2.2: A 55 SER OG : rot -33:sc= -0.458! USER MOD Single : A 1 MET CE :methyl 157:sc= -0.111 (180deg=-0.625) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.726 (180deg=0.378) USER MOD Single : A 3 GLN : amide:sc= -0.0322 K(o=-0.032,f=-1.5!) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 6 SER OG : rot 40:sc= -1.93 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -8.46! C(o=-8.5!,f=-5.4!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.235) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -4.51 K(o=-4.5,f=-6.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0611 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0411 USER MOD Single : A 33 CYS SG : rot 127:sc= 0.00613 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -156:sc= -0.509 (180deg=-1.65!) USER MOD Single : A 44 ASN : amide:sc= -1.76 K(o=-1.8,f=-4.3!) USER MOD Single : A 46 LYS NZ :NH3+ 150:sc= -0.329 (180deg=-1.54!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 141:sc= -2.03 (180deg=-4.19!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -64:sc= 0.605 USER MOD Single : A 52 SER OG : rot -47:sc= 1.02 USER MOD Single : A 62 CYS SG : rot 32:sc= -0.125 USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= -0.0407 (180deg=-0.295) USER MOD Single : A 67 CYS SG : rot 180:sc= 0.0509 USER MOD Single : A 68 ASN : amide:sc= -1.22 K(o=-1.2,f=-3.4!) USER MOD Single : A 69 ASN : amide:sc= -0.651 K(o=-0.65,f=-1.7) USER MOD Single : A 70 LYS NZ :NH3+ -134:sc= -0.616 (180deg=-1.62!) USER MOD Single : A 73 LYS NZ :NH3+ 172:sc= 0.0494 (180deg=0.0406) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.204 13.662 8.675 1.00 0.00 N ATOM 2 CA MET A 1 -8.870 13.034 8.865 1.00 0.00 C ATOM 3 C MET A 1 -8.819 12.232 10.162 1.00 0.00 C ATOM 4 O MET A 1 -8.594 12.785 11.239 1.00 0.00 O ATOM 5 CB MET A 1 -7.811 14.137 8.882 1.00 0.00 C ATOM 6 CG MET A 1 -7.410 14.617 7.496 1.00 0.00 C ATOM 7 SD MET A 1 -8.595 15.780 6.794 1.00 0.00 S ATOM 8 CE MET A 1 -8.331 17.206 7.844 1.00 0.00 C ATOM 0 H1 MET A 1 -10.124 14.450 8.001 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.871 12.955 8.304 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.552 14.021 9.587 1.00 0.00 H new ATOM 0 HA MET A 1 -8.678 12.342 8.045 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.189 14.983 9.455 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.925 13.771 9.401 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.430 15.091 7.549 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.313 13.758 6.832 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.656 18.107 7.323 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.905 17.092 8.764 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.271 17.289 8.086 1.00 0.00 H new ATOM 20 N VAL A 2 -9.029 10.924 10.050 1.00 0.00 N ATOM 21 CA VAL A 2 -9.005 10.040 11.215 1.00 0.00 C ATOM 22 C VAL A 2 -7.865 9.024 11.127 1.00 0.00 C ATOM 23 O VAL A 2 -7.864 8.016 11.833 1.00 0.00 O ATOM 24 CB VAL A 2 -10.352 9.302 11.403 1.00 0.00 C ATOM 25 CG1 VAL A 2 -10.558 8.226 10.341 1.00 0.00 C ATOM 26 CG2 VAL A 2 -10.436 8.704 12.799 1.00 0.00 C ATOM 0 H VAL A 2 -9.218 10.451 9.166 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.837 10.677 12.084 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.152 10.033 11.285 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.514 7.730 10.506 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.553 8.685 9.352 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.754 7.493 10.405 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.389 8.188 12.917 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.620 7.996 12.941 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.360 9.499 13.541 1.00 0.00 H new ATOM 36 N GLN A 3 -6.897 9.303 10.259 1.00 0.00 N ATOM 37 CA GLN A 3 -5.749 8.431 10.073 1.00 0.00 C ATOM 38 C GLN A 3 -4.775 9.083 9.105 1.00 0.00 C ATOM 39 O GLN A 3 -5.180 9.699 8.121 1.00 0.00 O ATOM 40 CB GLN A 3 -6.188 7.059 9.543 1.00 0.00 C ATOM 41 CG GLN A 3 -5.039 6.114 9.206 1.00 0.00 C ATOM 42 CD GLN A 3 -4.504 5.392 10.427 1.00 0.00 C ATOM 43 OE1 GLN A 3 -5.021 5.550 11.534 1.00 0.00 O ATOM 44 NE2 GLN A 3 -3.462 4.593 10.231 1.00 0.00 N ATOM 0 H GLN A 3 -6.889 10.135 9.670 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.259 8.279 11.035 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.827 6.583 10.287 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.795 7.206 8.650 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.378 5.381 8.474 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.232 6.680 8.740 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.065 4.492 9.297 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.058 4.080 11.015 1.00 0.00 H new ATOM 53 N SER A 4 -3.496 8.963 9.403 1.00 0.00 N ATOM 54 CA SER A 4 -2.467 9.568 8.564 1.00 0.00 C ATOM 55 C SER A 4 -1.891 8.594 7.546 1.00 0.00 C ATOM 56 O SER A 4 -2.110 7.384 7.607 1.00 0.00 O ATOM 57 CB SER A 4 -1.333 10.143 9.409 1.00 0.00 C ATOM 58 OG SER A 4 -1.523 9.859 10.785 1.00 0.00 O ATOM 0 H SER A 4 -3.141 8.456 10.214 1.00 0.00 H new ATOM 0 HA SER A 4 -2.961 10.372 8.019 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.382 9.727 9.077 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.278 11.222 9.262 1.00 0.00 H new ATOM 0 HG SER A 4 -0.782 10.237 11.302 1.00 0.00 H new ATOM 64 N CYS A 5 -1.148 9.167 6.613 1.00 0.00 N ATOM 65 CA CYS A 5 -0.501 8.429 5.540 1.00 0.00 C ATOM 66 C CYS A 5 0.938 8.942 5.384 1.00 0.00 C ATOM 67 O CYS A 5 1.317 9.910 6.042 1.00 0.00 O ATOM 68 CB CYS A 5 -1.358 8.579 4.268 1.00 0.00 C ATOM 69 SG CYS A 5 -0.516 9.224 2.811 1.00 0.00 S ATOM 0 H CYS A 5 -0.975 10.172 6.579 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.428 7.363 5.755 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.774 7.603 4.019 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.198 9.235 4.496 1.00 0.00 H new ATOM 74 N SER A 6 1.746 8.296 4.545 1.00 0.00 N ATOM 75 CA SER A 6 3.133 8.716 4.375 1.00 0.00 C ATOM 76 C SER A 6 3.203 10.067 3.691 1.00 0.00 C ATOM 77 O SER A 6 3.946 10.955 4.109 1.00 0.00 O ATOM 78 CB SER A 6 3.912 7.681 3.566 1.00 0.00 C ATOM 79 OG SER A 6 5.290 8.006 3.526 1.00 0.00 O ATOM 0 H SER A 6 1.469 7.492 3.981 1.00 0.00 H new ATOM 0 HA SER A 6 3.584 8.801 5.364 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.780 6.693 4.007 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.516 7.633 2.552 1.00 0.00 H new ATOM 0 HG SER A 6 5.573 8.339 4.403 1.00 0.00 H new ATOM 85 N ALA A 7 2.417 10.208 2.639 1.00 0.00 N ATOM 86 CA ALA A 7 2.369 11.455 1.875 1.00 0.00 C ATOM 87 C ALA A 7 2.296 12.670 2.801 1.00 0.00 C ATOM 88 O ALA A 7 1.590 12.649 3.810 1.00 0.00 O ATOM 89 CB ALA A 7 1.184 11.443 0.919 1.00 0.00 C ATOM 0 H ALA A 7 1.799 9.476 2.288 1.00 0.00 H new ATOM 0 HA ALA A 7 3.289 11.531 1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.160 12.377 0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.283 10.606 0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.260 11.338 1.487 1.00 0.00 H new ATOM 95 N TYR A 8 3.037 13.719 2.457 1.00 0.00 N ATOM 96 CA TYR A 8 3.064 14.939 3.264 1.00 0.00 C ATOM 97 C TYR A 8 1.742 15.696 3.159 1.00 0.00 C ATOM 98 O TYR A 8 1.264 15.980 2.061 1.00 0.00 O ATOM 99 CB TYR A 8 4.220 15.843 2.819 1.00 0.00 C ATOM 100 CG TYR A 8 4.976 16.482 3.968 1.00 0.00 C ATOM 101 CD1 TYR A 8 4.343 17.364 4.835 1.00 0.00 C ATOM 102 CD2 TYR A 8 6.321 16.203 4.183 1.00 0.00 C ATOM 103 CE1 TYR A 8 5.028 17.949 5.884 1.00 0.00 C ATOM 104 CE2 TYR A 8 7.010 16.782 5.231 1.00 0.00 C ATOM 105 CZ TYR A 8 6.360 17.655 6.078 1.00 0.00 C ATOM 106 OH TYR A 8 7.045 18.233 7.122 1.00 0.00 O ATOM 0 H TYR A 8 3.627 13.751 1.626 1.00 0.00 H new ATOM 0 HA TYR A 8 3.213 14.652 4.305 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.917 15.257 2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.827 16.629 2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.299 17.597 4.687 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.835 15.523 3.520 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.521 18.633 6.548 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.054 16.552 5.386 1.00 0.00 H new ATOM 0 HH TYR A 8 7.973 17.919 7.118 1.00 0.00 H new ATOM 116 N GLY A 9 1.156 16.020 4.313 1.00 0.00 N ATOM 117 CA GLY A 9 -0.106 16.744 4.337 1.00 0.00 C ATOM 118 C GLY A 9 -1.117 16.188 3.361 1.00 0.00 C ATOM 119 O GLY A 9 -1.606 16.895 2.482 1.00 0.00 O ATOM 0 H GLY A 9 1.534 15.793 5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.522 16.708 5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.077 17.793 4.105 1.00 0.00 H new ATOM 123 N CYS A 10 -1.419 14.915 3.519 1.00 0.00 N ATOM 124 CA CYS A 10 -2.365 14.236 2.659 1.00 0.00 C ATOM 125 C CYS A 10 -3.805 14.537 3.084 1.00 0.00 C ATOM 126 O CYS A 10 -4.046 14.995 4.201 1.00 0.00 O ATOM 127 CB CYS A 10 -2.087 12.735 2.693 1.00 0.00 C ATOM 128 SG CYS A 10 -2.932 11.811 1.396 1.00 0.00 S ATOM 0 H CYS A 10 -1.016 14.324 4.246 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.245 14.599 1.638 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.013 12.571 2.602 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.389 12.341 3.663 1.00 0.00 H new ATOM 133 N LYS A 11 -4.758 14.287 2.186 1.00 0.00 N ATOM 134 CA LYS A 11 -6.165 14.540 2.466 1.00 0.00 C ATOM 135 C LYS A 11 -6.919 13.245 2.743 1.00 0.00 C ATOM 136 O LYS A 11 -8.145 13.188 2.647 1.00 0.00 O ATOM 137 CB LYS A 11 -6.814 15.280 1.296 1.00 0.00 C ATOM 138 CG LYS A 11 -7.963 16.179 1.710 1.00 0.00 C ATOM 139 CD LYS A 11 -7.472 17.571 2.057 1.00 0.00 C ATOM 140 CE LYS A 11 -8.536 18.367 2.797 1.00 0.00 C ATOM 141 NZ LYS A 11 -7.943 19.432 3.650 1.00 0.00 N ATOM 0 H LYS A 11 -4.577 13.908 1.256 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.219 15.162 3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.057 15.881 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.177 14.551 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.691 16.238 0.901 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.475 15.746 2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.575 17.499 2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.191 18.097 1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.218 18.818 2.076 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.127 17.693 3.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.702 19.950 4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.312 19.001 4.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.400 20.091 3.056 1.00 0.00 H new ATOM 155 N ASN A 12 -6.170 12.216 3.089 1.00 0.00 N ATOM 156 CA ASN A 12 -6.724 10.909 3.390 1.00 0.00 C ATOM 157 C ASN A 12 -7.689 10.959 4.571 1.00 0.00 C ATOM 158 O ASN A 12 -7.669 11.898 5.367 1.00 0.00 O ATOM 159 CB ASN A 12 -5.586 9.964 3.723 1.00 0.00 C ATOM 160 CG ASN A 12 -4.921 10.331 5.031 1.00 0.00 C ATOM 161 OD1 ASN A 12 -5.252 11.339 5.655 1.00 0.00 O ATOM 162 ND2 ASN A 12 -3.976 9.518 5.445 1.00 0.00 N ATOM 0 H ASN A 12 -5.154 12.263 3.170 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.279 10.565 2.517 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.965 8.944 3.781 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.848 9.985 2.921 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.483 9.711 6.317 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.735 8.694 4.895 1.00 0.00 H new ATOM 169 N ARG A 13 -8.517 9.926 4.689 1.00 0.00 N ATOM 170 CA ARG A 13 -9.476 9.838 5.795 1.00 0.00 C ATOM 171 C ARG A 13 -10.067 8.436 5.921 1.00 0.00 C ATOM 172 O ARG A 13 -10.817 7.990 5.056 1.00 0.00 O ATOM 173 CB ARG A 13 -10.600 10.864 5.627 1.00 0.00 C ATOM 174 CG ARG A 13 -10.825 11.312 4.187 1.00 0.00 C ATOM 175 CD ARG A 13 -11.900 12.385 4.093 1.00 0.00 C ATOM 176 NE ARG A 13 -11.759 13.195 2.884 1.00 0.00 N ATOM 177 CZ ARG A 13 -12.315 14.393 2.727 1.00 0.00 C ATOM 178 NH1 ARG A 13 -13.052 14.923 3.695 1.00 0.00 N ATOM 179 NH2 ARG A 13 -12.134 15.065 1.597 1.00 0.00 N ATOM 0 H ARG A 13 -8.547 9.140 4.039 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.928 10.059 6.711 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.526 10.438 6.012 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.373 11.738 6.237 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.891 11.695 3.775 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.113 10.454 3.580 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.883 11.915 4.102 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.847 13.030 4.970 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.202 12.820 2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.195 14.411 4.566 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.476 15.842 3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.569 14.663 0.849 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.560 15.984 1.476 1.00 0.00 H new ATOM 193 N TYR A 14 -9.735 7.749 7.016 1.00 0.00 N ATOM 194 CA TYR A 14 -10.240 6.405 7.256 1.00 0.00 C ATOM 195 C TYR A 14 -11.691 6.442 7.733 1.00 0.00 C ATOM 196 O TYR A 14 -11.962 6.362 8.930 1.00 0.00 O ATOM 197 CB TYR A 14 -9.364 5.706 8.294 1.00 0.00 C ATOM 198 CG TYR A 14 -9.678 4.236 8.466 1.00 0.00 C ATOM 199 CD1 TYR A 14 -10.651 3.812 9.364 1.00 0.00 C ATOM 200 CD2 TYR A 14 -8.999 3.271 7.732 1.00 0.00 C ATOM 201 CE1 TYR A 14 -10.938 2.469 9.523 1.00 0.00 C ATOM 202 CE2 TYR A 14 -9.282 1.928 7.885 1.00 0.00 C ATOM 203 CZ TYR A 14 -10.252 1.532 8.782 1.00 0.00 C ATOM 204 OH TYR A 14 -10.535 0.194 8.938 1.00 0.00 O ATOM 0 H TYR A 14 -9.119 8.105 7.747 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.207 5.850 6.319 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.318 5.813 8.005 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.483 6.208 9.254 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.191 4.543 9.947 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.237 3.576 7.030 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.697 2.156 10.225 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.746 1.191 7.305 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.964 -0.333 8.341 1.00 0.00 H new ATOM 214 N ASP A 15 -12.618 6.566 6.789 1.00 0.00 N ATOM 215 CA ASP A 15 -14.040 6.616 7.116 1.00 0.00 C ATOM 216 C ASP A 15 -14.818 5.538 6.368 1.00 0.00 C ATOM 217 O ASP A 15 -14.434 5.132 5.270 1.00 0.00 O ATOM 218 CB ASP A 15 -14.611 7.992 6.780 1.00 0.00 C ATOM 219 CG ASP A 15 -15.970 8.228 7.413 1.00 0.00 C ATOM 220 OD1 ASP A 15 -16.453 7.332 8.138 1.00 0.00 O ATOM 221 OD2 ASP A 15 -16.551 9.310 7.184 1.00 0.00 O ATOM 0 H ASP A 15 -12.411 6.634 5.792 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.143 6.433 8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.918 8.762 7.118 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.695 8.092 5.698 1.00 0.00 H new ATOM 226 N LYS A 16 -15.915 5.081 6.965 1.00 0.00 N ATOM 227 CA LYS A 16 -16.747 4.054 6.345 1.00 0.00 C ATOM 228 C LYS A 16 -17.289 4.540 5.009 1.00 0.00 C ATOM 229 O LYS A 16 -17.518 3.751 4.092 1.00 0.00 O ATOM 230 CB LYS A 16 -17.904 3.672 7.270 1.00 0.00 C ATOM 231 CG LYS A 16 -18.822 2.605 6.694 1.00 0.00 C ATOM 232 CD LYS A 16 -18.315 1.204 7.003 1.00 0.00 C ATOM 233 CE LYS A 16 -19.376 0.148 6.736 1.00 0.00 C ATOM 234 NZ LYS A 16 -20.149 0.433 5.493 1.00 0.00 N ATOM 0 H LYS A 16 -16.248 5.404 7.874 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.129 3.173 6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.498 3.316 8.217 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.491 4.564 7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.825 2.728 7.103 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -18.899 2.735 5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -17.433 0.995 6.397 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -18.005 1.152 8.047 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -18.901 -0.829 6.651 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -20.059 0.098 7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -20.675 -0.418 5.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -20.817 1.210 5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -19.495 0.705 4.732 1.00 0.00 H new ATOM 248 N ASP A 17 -17.478 5.846 4.909 1.00 0.00 N ATOM 249 CA ASP A 17 -17.977 6.461 3.693 1.00 0.00 C ATOM 250 C ASP A 17 -16.864 6.554 2.664 1.00 0.00 C ATOM 251 O ASP A 17 -17.007 6.108 1.527 1.00 0.00 O ATOM 252 CB ASP A 17 -18.514 7.855 4.009 1.00 0.00 C ATOM 253 CG ASP A 17 -20.018 7.947 3.835 1.00 0.00 C ATOM 254 OD1 ASP A 17 -20.565 7.199 2.997 1.00 0.00 O ATOM 255 OD2 ASP A 17 -20.647 8.767 4.536 1.00 0.00 O ATOM 0 H ASP A 17 -17.291 6.505 5.665 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.782 5.850 3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.252 8.119 5.034 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.030 8.584 3.359 1.00 0.00 H new ATOM 260 N LYS A 18 -15.746 7.132 3.087 1.00 0.00 N ATOM 261 CA LYS A 18 -14.585 7.286 2.224 1.00 0.00 C ATOM 262 C LYS A 18 -13.922 5.932 1.978 1.00 0.00 C ATOM 263 O LYS A 18 -13.349 5.342 2.894 1.00 0.00 O ATOM 264 CB LYS A 18 -13.585 8.247 2.867 1.00 0.00 C ATOM 265 CG LYS A 18 -12.416 8.609 1.960 1.00 0.00 C ATOM 266 CD LYS A 18 -12.519 10.049 1.442 1.00 0.00 C ATOM 267 CE LYS A 18 -13.328 10.182 0.146 1.00 0.00 C ATOM 268 NZ LYS A 18 -13.719 11.595 -0.109 1.00 0.00 N ATOM 0 H LYS A 18 -15.621 7.503 4.029 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.911 7.694 1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.106 9.160 3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.198 7.797 3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.481 8.486 2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.385 7.921 1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.977 10.670 2.211 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.515 10.438 1.274 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.739 9.809 -0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.222 9.561 0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.265 11.650 -0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.301 11.942 0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.865 12.182 -0.193 1.00 0.00 H new ATOM 282 N PRO A 19 -14.003 5.405 0.740 1.00 0.00 N ATOM 283 CA PRO A 19 -13.421 4.102 0.389 1.00 0.00 C ATOM 284 C PRO A 19 -11.902 4.102 0.304 1.00 0.00 C ATOM 285 O PRO A 19 -11.310 3.354 -0.475 1.00 0.00 O ATOM 286 CB PRO A 19 -14.000 3.825 -0.986 1.00 0.00 C ATOM 287 CG PRO A 19 -14.245 5.186 -1.557 1.00 0.00 C ATOM 288 CD PRO A 19 -14.689 6.016 -0.409 1.00 0.00 C ATOM 0 HA PRO A 19 -13.654 3.359 1.152 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.307 3.252 -1.603 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.922 3.247 -0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.340 5.592 -2.010 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.005 5.155 -2.337 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.407 7.061 -0.536 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.772 5.991 -0.290 1.00 0.00 H new ATOM 296 N VAL A 20 -11.288 4.941 1.099 1.00 0.00 N ATOM 297 CA VAL A 20 -9.840 5.060 1.130 1.00 0.00 C ATOM 298 C VAL A 20 -9.214 4.067 2.109 1.00 0.00 C ATOM 299 O VAL A 20 -9.339 4.208 3.325 1.00 0.00 O ATOM 300 CB VAL A 20 -9.419 6.495 1.508 1.00 0.00 C ATOM 301 CG1 VAL A 20 -9.703 6.786 2.972 1.00 0.00 C ATOM 302 CG2 VAL A 20 -7.953 6.728 1.182 1.00 0.00 C ATOM 0 H VAL A 20 -11.772 5.564 1.746 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.476 4.830 0.129 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.015 7.187 0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.395 7.805 3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.770 6.676 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.148 6.086 3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.677 7.746 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.339 6.022 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.790 6.583 0.114 1.00 0.00 H new ATOM 312 N SER A 21 -8.528 3.066 1.569 1.00 0.00 N ATOM 313 CA SER A 21 -7.870 2.062 2.396 1.00 0.00 C ATOM 314 C SER A 21 -6.416 2.452 2.632 1.00 0.00 C ATOM 315 O SER A 21 -5.880 3.318 1.942 1.00 0.00 O ATOM 316 CB SER A 21 -7.944 0.687 1.734 1.00 0.00 C ATOM 317 OG SER A 21 -8.049 0.803 0.327 1.00 0.00 O ATOM 0 H SER A 21 -8.413 2.928 0.565 1.00 0.00 H new ATOM 0 HA SER A 21 -8.385 2.011 3.355 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.056 0.109 1.989 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.803 0.139 2.122 1.00 0.00 H new ATOM 0 HG SER A 21 -7.171 0.649 -0.080 1.00 0.00 H new ATOM 323 N PHE A 22 -5.781 1.818 3.609 1.00 0.00 N ATOM 324 CA PHE A 22 -4.391 2.119 3.923 1.00 0.00 C ATOM 325 C PHE A 22 -3.519 0.870 3.811 1.00 0.00 C ATOM 326 O PHE A 22 -3.988 -0.249 4.018 1.00 0.00 O ATOM 327 CB PHE A 22 -4.297 2.741 5.317 1.00 0.00 C ATOM 328 CG PHE A 22 -4.745 4.177 5.341 1.00 0.00 C ATOM 329 CD1 PHE A 22 -6.042 4.517 4.980 1.00 0.00 C ATOM 330 CD2 PHE A 22 -3.869 5.189 5.698 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.454 5.839 4.978 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.275 6.511 5.691 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.571 6.836 5.330 1.00 0.00 C ATOM 0 H PHE A 22 -6.203 1.097 4.194 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.015 2.840 3.197 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.907 2.162 6.011 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.267 2.679 5.670 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.738 3.741 4.697 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.857 4.943 5.985 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.468 6.088 4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.580 7.290 5.967 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.889 7.868 5.324 1.00 0.00 H new ATOM 343 N HIS A 23 -2.254 1.074 3.458 1.00 0.00 N ATOM 344 CA HIS A 23 -1.314 -0.029 3.288 1.00 0.00 C ATOM 345 C HIS A 23 0.015 0.264 3.982 1.00 0.00 C ATOM 346 O HIS A 23 0.373 1.420 4.179 1.00 0.00 O ATOM 347 CB HIS A 23 -1.065 -0.283 1.797 1.00 0.00 C ATOM 348 CG HIS A 23 -2.296 -0.190 0.944 1.00 0.00 C ATOM 349 ND1 HIS A 23 -2.789 -1.253 0.218 1.00 0.00 N ATOM 350 CD2 HIS A 23 -3.129 0.850 0.693 1.00 0.00 C ATOM 351 CE1 HIS A 23 -3.867 -0.870 -0.442 1.00 0.00 C ATOM 352 NE2 HIS A 23 -4.094 0.399 -0.171 1.00 0.00 N ATOM 0 H HIS A 23 -1.855 1.996 3.283 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.754 -0.916 3.744 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.330 0.436 1.435 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.627 -1.274 1.677 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.048 1.848 1.098 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.462 -1.492 -1.094 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.863 0.956 -0.543 1.00 0.00 H new ATOM 361 N LYS A 24 0.745 -0.793 4.338 1.00 0.00 N ATOM 362 CA LYS A 24 2.045 -0.652 4.994 1.00 0.00 C ATOM 363 C LYS A 24 3.171 -0.878 3.989 1.00 0.00 C ATOM 364 O LYS A 24 2.985 -1.584 2.998 1.00 0.00 O ATOM 365 CB LYS A 24 2.171 -1.649 6.147 1.00 0.00 C ATOM 366 CG LYS A 24 1.432 -1.220 7.404 1.00 0.00 C ATOM 367 CD LYS A 24 -0.075 -1.343 7.234 1.00 0.00 C ATOM 368 CE LYS A 24 -0.760 0.012 7.322 1.00 0.00 C ATOM 369 NZ LYS A 24 -2.181 -0.056 6.882 1.00 0.00 N ATOM 0 H LYS A 24 0.457 -1.759 4.183 1.00 0.00 H new ATOM 0 HA LYS A 24 2.122 0.360 5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.789 -2.617 5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.226 -1.786 6.384 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.756 -1.833 8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.689 -0.188 7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.297 -1.802 6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.476 -2.005 8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.715 0.376 8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.223 0.732 6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.613 0.887 6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.224 -0.379 5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.700 -0.724 7.487 1.00 0.00 H new ATOM 383 N PHE A 25 4.341 -0.287 4.239 1.00 0.00 N ATOM 384 CA PHE A 25 5.469 -0.457 3.329 1.00 0.00 C ATOM 385 C PHE A 25 5.813 -1.934 3.198 1.00 0.00 C ATOM 386 O PHE A 25 5.946 -2.644 4.194 1.00 0.00 O ATOM 387 CB PHE A 25 6.679 0.373 3.767 1.00 0.00 C ATOM 388 CG PHE A 25 6.946 1.525 2.832 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.322 2.750 3.023 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.796 1.374 1.746 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.547 3.804 2.150 1.00 0.00 C ATOM 392 CE2 PHE A 25 8.018 2.422 0.867 1.00 0.00 C ATOM 393 CZ PHE A 25 7.393 3.637 1.069 1.00 0.00 C ATOM 0 H PHE A 25 4.528 0.303 5.050 1.00 0.00 H new ATOM 0 HA PHE A 25 5.179 -0.085 2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.510 0.756 4.774 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.560 -0.268 3.813 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.654 2.884 3.861 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.291 0.428 1.584 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.062 4.755 2.314 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.680 2.289 0.024 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.565 4.455 0.384 1.00 0.00 H new ATOM 403 N PRO A 26 5.904 -2.426 1.953 1.00 0.00 N ATOM 404 CA PRO A 26 6.167 -3.833 1.668 1.00 0.00 C ATOM 405 C PRO A 26 7.649 -4.166 1.524 1.00 0.00 C ATOM 406 O PRO A 26 8.462 -3.307 1.185 1.00 0.00 O ATOM 407 CB PRO A 26 5.439 -3.988 0.341 1.00 0.00 C ATOM 408 CG PRO A 26 5.749 -2.720 -0.366 1.00 0.00 C ATOM 409 CD PRO A 26 5.703 -1.658 0.703 1.00 0.00 C ATOM 0 HA PRO A 26 5.843 -4.500 2.467 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.794 -4.856 -0.214 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.366 -4.118 0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.730 -2.761 -0.840 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.023 -2.519 -1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.483 -0.910 0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.750 -1.129 0.704 1.00 0.00 H new ATOM 417 N LEU A 27 7.986 -5.428 1.783 1.00 0.00 N ATOM 418 CA LEU A 27 9.356 -5.897 1.686 1.00 0.00 C ATOM 419 C LEU A 27 9.535 -6.820 0.482 1.00 0.00 C ATOM 420 O LEU A 27 10.616 -6.892 -0.102 1.00 0.00 O ATOM 421 CB LEU A 27 9.765 -6.626 2.969 1.00 0.00 C ATOM 422 CG LEU A 27 9.079 -7.976 3.198 1.00 0.00 C ATOM 423 CD1 LEU A 27 10.112 -9.074 3.401 1.00 0.00 C ATOM 424 CD2 LEU A 27 8.135 -7.905 4.389 1.00 0.00 C ATOM 0 H LEU A 27 7.318 -6.146 2.064 1.00 0.00 H new ATOM 0 HA LEU A 27 9.999 -5.027 1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.844 -6.783 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.551 -5.979 3.820 1.00 0.00 H new ATOM 0 HG LEU A 27 8.493 -8.215 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.605 -10.025 3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.745 -9.146 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.727 -8.839 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.658 -8.875 4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.698 -7.640 5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.372 -7.149 4.204 1.00 0.00 H new ATOM 436 N THR A 28 8.464 -7.518 0.108 1.00 0.00 N ATOM 437 CA THR A 28 8.504 -8.425 -1.034 1.00 0.00 C ATOM 438 C THR A 28 8.766 -7.642 -2.312 1.00 0.00 C ATOM 439 O THR A 28 9.345 -8.160 -3.265 1.00 0.00 O ATOM 440 CB THR A 28 7.191 -9.203 -1.146 1.00 0.00 C ATOM 441 OG1 THR A 28 6.109 -8.440 -0.642 1.00 0.00 O ATOM 442 CG2 THR A 28 7.212 -10.521 -0.400 1.00 0.00 C ATOM 0 H THR A 28 7.560 -7.472 0.579 1.00 0.00 H new ATOM 0 HA THR A 28 9.315 -9.139 -0.886 1.00 0.00 H new ATOM 0 HB THR A 28 7.066 -9.407 -2.209 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.279 -8.955 -0.725 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.252 -11.022 -0.520 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.004 -11.153 -0.801 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.396 -10.337 0.659 1.00 0.00 H new ATOM 450 N ARG A 29 8.336 -6.386 -2.310 1.00 0.00 N ATOM 451 CA ARG A 29 8.512 -5.491 -3.437 1.00 0.00 C ATOM 452 C ARG A 29 9.618 -4.484 -3.121 1.00 0.00 C ATOM 453 O ARG A 29 9.367 -3.492 -2.447 1.00 0.00 O ATOM 454 CB ARG A 29 7.188 -4.777 -3.695 1.00 0.00 C ATOM 455 CG ARG A 29 7.259 -3.761 -4.810 1.00 0.00 C ATOM 456 CD ARG A 29 7.037 -2.365 -4.272 1.00 0.00 C ATOM 457 NE ARG A 29 5.654 -1.929 -4.464 1.00 0.00 N ATOM 458 CZ ARG A 29 5.285 -0.809 -5.097 1.00 0.00 C ATOM 459 NH1 ARG A 29 6.182 0.083 -5.521 1.00 0.00 N ATOM 460 NH2 ARG A 29 4.001 -0.570 -5.285 1.00 0.00 N ATOM 0 H ARG A 29 7.853 -5.961 -1.519 1.00 0.00 H new ATOM 0 HA ARG A 29 8.802 -6.048 -4.328 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.426 -5.518 -3.937 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.869 -4.279 -2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.231 -3.818 -5.300 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.508 -3.989 -5.566 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.283 -2.340 -3.210 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.711 -1.670 -4.772 1.00 0.00 H new ATOM 0 HE ARG A 29 4.915 -2.523 -4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.177 -0.080 -5.365 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.873 0.928 -6.001 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.304 -1.235 -4.949 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.705 0.280 -5.766 1.00 0.00 H new ATOM 474 N PRO A 30 10.870 -4.756 -3.563 1.00 0.00 N ATOM 475 CA PRO A 30 12.027 -3.896 -3.291 1.00 0.00 C ATOM 476 C PRO A 30 12.352 -2.863 -4.378 1.00 0.00 C ATOM 477 O PRO A 30 12.158 -1.668 -4.173 1.00 0.00 O ATOM 478 CB PRO A 30 13.140 -4.911 -3.162 1.00 0.00 C ATOM 479 CG PRO A 30 12.767 -6.034 -4.086 1.00 0.00 C ATOM 480 CD PRO A 30 11.273 -5.950 -4.323 1.00 0.00 C ATOM 0 HA PRO A 30 11.855 -3.266 -2.419 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.101 -4.477 -3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.233 -5.263 -2.135 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.310 -5.952 -5.028 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.032 -6.996 -3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 30 11.040 -5.848 -5.383 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.760 -6.844 -3.968 1.00 0.00 H new ATOM 488 N SER A 31 12.856 -3.305 -5.531 1.00 0.00 N ATOM 489 CA SER A 31 13.194 -2.372 -6.607 1.00 0.00 C ATOM 490 C SER A 31 12.000 -1.493 -6.908 1.00 0.00 C ATOM 491 O SER A 31 12.080 -0.264 -6.889 1.00 0.00 O ATOM 492 CB SER A 31 13.628 -3.129 -7.862 1.00 0.00 C ATOM 493 OG SER A 31 13.052 -4.423 -7.903 1.00 0.00 O ATOM 0 H SER A 31 13.037 -4.286 -5.742 1.00 0.00 H new ATOM 0 HA SER A 31 14.027 -1.748 -6.285 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.333 -2.568 -8.749 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.715 -3.211 -7.883 1.00 0.00 H new ATOM 0 HG SER A 31 13.344 -4.885 -8.716 1.00 0.00 H new ATOM 499 N LEU A 32 10.882 -2.149 -7.127 1.00 0.00 N ATOM 500 CA LEU A 32 9.628 -1.475 -7.376 1.00 0.00 C ATOM 501 C LEU A 32 9.318 -0.568 -6.190 1.00 0.00 C ATOM 502 O LEU A 32 8.740 0.507 -6.335 1.00 0.00 O ATOM 503 CB LEU A 32 8.541 -2.519 -7.531 1.00 0.00 C ATOM 504 CG LEU A 32 7.098 -2.000 -7.623 1.00 0.00 C ATOM 505 CD1 LEU A 32 7.014 -0.647 -8.314 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.240 -3.000 -8.364 1.00 0.00 C ATOM 0 H LEU A 32 10.817 -3.167 -7.137 1.00 0.00 H new ATOM 0 HA LEU A 32 9.685 -0.875 -8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.752 -3.100 -8.429 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.604 -3.204 -6.686 1.00 0.00 H new ATOM 0 HG LEU A 32 6.733 -1.873 -6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.974 -0.323 -8.354 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.600 0.083 -7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.407 -0.731 -9.327 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.218 -2.627 -8.426 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.635 -3.144 -9.369 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.247 -3.951 -7.831 1.00 0.00 H new ATOM 518 N CYS A 33 9.718 -1.032 -5.004 1.00 0.00 N ATOM 519 CA CYS A 33 9.500 -0.293 -3.762 1.00 0.00 C ATOM 520 C CYS A 33 10.023 1.128 -3.869 1.00 0.00 C ATOM 521 O CYS A 33 9.475 2.050 -3.267 1.00 0.00 O ATOM 522 CB CYS A 33 10.200 -0.993 -2.607 1.00 0.00 C ATOM 523 SG CYS A 33 9.435 -0.708 -0.994 1.00 0.00 S ATOM 0 H CYS A 33 10.198 -1.923 -4.879 1.00 0.00 H new ATOM 0 HA CYS A 33 8.426 -0.260 -3.581 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.218 -2.065 -2.804 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.237 -0.659 -2.569 1.00 0.00 H new ATOM 0 HG CYS A 33 9.187 -1.850 -0.423 1.00 0.00 H new ATOM 529 N LYS A 34 11.078 1.307 -4.651 1.00 0.00 N ATOM 530 CA LYS A 34 11.655 2.621 -4.847 1.00 0.00 C ATOM 531 C LYS A 34 10.544 3.564 -5.274 1.00 0.00 C ATOM 532 O LYS A 34 10.490 4.722 -4.863 1.00 0.00 O ATOM 533 CB LYS A 34 12.772 2.550 -5.908 1.00 0.00 C ATOM 534 CG LYS A 34 13.204 3.905 -6.459 1.00 0.00 C ATOM 535 CD LYS A 34 13.382 3.879 -7.977 1.00 0.00 C ATOM 536 CE LYS A 34 12.168 3.304 -8.703 1.00 0.00 C ATOM 537 NZ LYS A 34 12.137 3.714 -10.135 1.00 0.00 N ATOM 0 H LYS A 34 11.548 0.557 -5.158 1.00 0.00 H new ATOM 0 HA LYS A 34 12.104 2.989 -3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.640 2.055 -5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.432 1.927 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.461 4.657 -6.195 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.141 4.204 -5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.568 4.892 -8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.263 3.287 -8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.186 2.216 -8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.256 3.639 -8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.299 3.305 -10.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.095 4.751 -10.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.996 3.373 -10.613 1.00 0.00 H new ATOM 551 N GLU A 35 9.632 3.027 -6.070 1.00 0.00 N ATOM 552 CA GLU A 35 8.493 3.769 -6.544 1.00 0.00 C ATOM 553 C GLU A 35 7.713 4.313 -5.372 1.00 0.00 C ATOM 554 O GLU A 35 7.249 5.453 -5.380 1.00 0.00 O ATOM 555 CB GLU A 35 7.593 2.868 -7.383 1.00 0.00 C ATOM 556 CG GLU A 35 8.304 2.292 -8.575 1.00 0.00 C ATOM 557 CD GLU A 35 7.355 1.856 -9.673 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.253 2.435 -9.770 1.00 0.00 O ATOM 559 OE2 GLU A 35 7.715 0.936 -10.439 1.00 0.00 O ATOM 0 H GLU A 35 9.668 2.063 -6.401 1.00 0.00 H new ATOM 0 HA GLU A 35 8.843 4.597 -7.161 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.217 2.056 -6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.728 3.438 -7.721 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.996 3.034 -8.973 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.902 1.437 -8.258 1.00 0.00 H new ATOM 566 N TRP A 36 7.602 3.483 -4.346 1.00 0.00 N ATOM 567 CA TRP A 36 6.894 3.874 -3.137 1.00 0.00 C ATOM 568 C TRP A 36 7.544 5.105 -2.549 1.00 0.00 C ATOM 569 O TRP A 36 6.859 6.006 -2.065 1.00 0.00 O ATOM 570 CB TRP A 36 6.813 2.736 -2.141 1.00 0.00 C ATOM 571 CG TRP A 36 5.546 1.954 -2.263 1.00 0.00 C ATOM 572 CD1 TRP A 36 4.920 1.558 -3.405 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.738 1.501 -1.185 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.774 0.865 -3.093 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.646 0.818 -1.729 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.836 1.601 0.193 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.664 0.242 -0.922 1.00 0.00 C ATOM 578 CZ3 TRP A 36 3.858 1.032 0.965 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.798 0.366 0.413 1.00 0.00 C ATOM 0 H TRP A 36 7.991 2.540 -4.326 1.00 0.00 H new ATOM 0 HA TRP A 36 5.864 4.119 -3.394 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.663 2.069 -2.287 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.892 3.136 -1.130 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.271 1.758 -4.407 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.126 0.454 -3.765 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.667 2.117 0.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.825 -0.285 -1.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.926 1.111 2.040 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.052 -0.070 1.061 1.00 0.00 H new ATOM 590 N GLU A 37 8.866 5.185 -2.658 1.00 0.00 N ATOM 591 CA GLU A 37 9.570 6.364 -2.183 1.00 0.00 C ATOM 592 C GLU A 37 9.036 7.583 -2.915 1.00 0.00 C ATOM 593 O GLU A 37 8.888 8.663 -2.344 1.00 0.00 O ATOM 594 CB GLU A 37 11.060 6.216 -2.440 1.00 0.00 C ATOM 595 CG GLU A 37 11.652 4.970 -1.811 1.00 0.00 C ATOM 596 CD GLU A 37 12.953 5.241 -1.083 1.00 0.00 C ATOM 597 OE1 GLU A 37 13.100 6.346 -0.520 1.00 0.00 O ATOM 598 OE2 GLU A 37 13.828 4.349 -1.079 1.00 0.00 O ATOM 0 H GLU A 37 9.460 4.461 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 37 9.411 6.480 -1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.236 6.192 -3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.578 7.093 -2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.932 4.544 -1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.824 4.224 -2.586 1.00 0.00 H new ATOM 605 N ALA A 38 8.721 7.375 -4.187 1.00 0.00 N ATOM 606 CA ALA A 38 8.168 8.427 -5.024 1.00 0.00 C ATOM 607 C ALA A 38 6.838 8.887 -4.457 1.00 0.00 C ATOM 608 O ALA A 38 6.491 10.066 -4.518 1.00 0.00 O ATOM 609 CB ALA A 38 8.003 7.942 -6.457 1.00 0.00 C ATOM 0 H ALA A 38 8.841 6.480 -4.662 1.00 0.00 H new ATOM 0 HA ALA A 38 8.858 9.271 -5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.588 8.744 -7.067 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.974 7.648 -6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.329 7.086 -6.476 1.00 0.00 H new ATOM 615 N ALA A 39 6.115 7.941 -3.870 1.00 0.00 N ATOM 616 CA ALA A 39 4.832 8.227 -3.248 1.00 0.00 C ATOM 617 C ALA A 39 4.991 9.357 -2.241 1.00 0.00 C ATOM 618 O ALA A 39 4.046 10.088 -1.946 1.00 0.00 O ATOM 619 CB ALA A 39 4.294 6.979 -2.559 1.00 0.00 C ATOM 0 H ALA A 39 6.400 6.963 -3.813 1.00 0.00 H new ATOM 0 HA ALA A 39 4.122 8.533 -4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.333 7.204 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.166 6.184 -3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.998 6.654 -1.793 1.00 0.00 H new ATOM 625 N VAL A 40 6.206 9.480 -1.716 1.00 0.00 N ATOM 626 CA VAL A 40 6.518 10.500 -0.737 1.00 0.00 C ATOM 627 C VAL A 40 7.190 11.707 -1.392 1.00 0.00 C ATOM 628 O VAL A 40 6.644 12.810 -1.371 1.00 0.00 O ATOM 629 CB VAL A 40 7.441 9.922 0.355 1.00 0.00 C ATOM 630 CG1 VAL A 40 7.859 10.982 1.359 1.00 0.00 C ATOM 631 CG2 VAL A 40 6.762 8.760 1.057 1.00 0.00 C ATOM 0 H VAL A 40 6.992 8.878 -1.959 1.00 0.00 H new ATOM 0 HA VAL A 40 5.582 10.830 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 40 8.346 9.561 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.508 10.534 2.111 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.396 11.779 0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.973 11.394 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.425 8.362 1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.837 9.104 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.536 7.978 0.332 1.00 0.00 H new ATOM 641 N ARG A 41 8.371 11.480 -1.974 1.00 0.00 N ATOM 642 CA ARG A 41 9.137 12.535 -2.652 1.00 0.00 C ATOM 643 C ARG A 41 10.012 13.332 -1.681 1.00 0.00 C ATOM 644 O ARG A 41 10.867 14.108 -2.108 1.00 0.00 O ATOM 645 CB ARG A 41 8.205 13.492 -3.410 1.00 0.00 C ATOM 646 CG ARG A 41 8.928 14.471 -4.327 1.00 0.00 C ATOM 647 CD ARG A 41 8.718 14.124 -5.792 1.00 0.00 C ATOM 648 NE ARG A 41 9.598 13.047 -6.233 1.00 0.00 N ATOM 649 CZ ARG A 41 9.367 12.291 -7.304 1.00 0.00 C ATOM 650 NH1 ARG A 41 8.285 12.491 -8.046 1.00 0.00 N ATOM 651 NH2 ARG A 41 10.220 11.331 -7.634 1.00 0.00 N ATOM 0 H ARG A 41 8.823 10.566 -1.990 1.00 0.00 H new ATOM 0 HA ARG A 41 9.794 12.033 -3.362 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.504 12.905 -4.004 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.616 14.056 -2.687 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.568 15.482 -4.137 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.994 14.464 -4.100 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.680 13.831 -5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.895 15.009 -6.403 1.00 0.00 H new ATOM 0 HE ARG A 41 10.440 12.862 -5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.625 13.227 -7.797 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.114 11.908 -8.865 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.053 11.172 -7.067 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.043 10.752 -8.455 1.00 0.00 H new ATOM 665 N ARG A 42 9.800 13.154 -0.379 1.00 0.00 N ATOM 666 CA ARG A 42 10.581 13.881 0.620 1.00 0.00 C ATOM 667 C ARG A 42 11.162 12.939 1.673 1.00 0.00 C ATOM 668 O ARG A 42 10.977 11.726 1.606 1.00 0.00 O ATOM 669 CB ARG A 42 9.704 14.935 1.292 1.00 0.00 C ATOM 670 CG ARG A 42 9.489 16.176 0.441 1.00 0.00 C ATOM 671 CD ARG A 42 10.769 16.984 0.297 1.00 0.00 C ATOM 672 NE ARG A 42 11.089 17.727 1.514 1.00 0.00 N ATOM 673 CZ ARG A 42 12.033 18.664 1.584 1.00 0.00 C ATOM 674 NH1 ARG A 42 12.751 18.973 0.511 1.00 0.00 N ATOM 675 NH2 ARG A 42 12.259 19.293 2.729 1.00 0.00 N ATOM 0 H ARG A 42 9.101 12.519 0.007 1.00 0.00 H new ATOM 0 HA ARG A 42 11.414 14.365 0.110 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.736 14.494 1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.161 15.227 2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.130 15.884 -0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.715 16.797 0.891 1.00 0.00 H new ATOM 0 HD2 ARG A 42 11.594 16.315 0.054 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.666 17.680 -0.536 1.00 0.00 H new ATOM 0 HE ARG A 42 10.558 17.516 2.359 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.581 18.492 -0.372 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.473 19.691 0.570 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.710 19.059 3.556 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.982 20.011 2.783 1.00 0.00 H new ATOM 689 N LYS A 43 11.864 13.516 2.647 1.00 0.00 N ATOM 690 CA LYS A 43 12.471 12.737 3.723 1.00 0.00 C ATOM 691 C LYS A 43 11.486 12.560 4.872 1.00 0.00 C ATOM 692 O LYS A 43 11.589 13.226 5.904 1.00 0.00 O ATOM 693 CB LYS A 43 13.746 13.417 4.235 1.00 0.00 C ATOM 694 CG LYS A 43 14.571 14.093 3.149 1.00 0.00 C ATOM 695 CD LYS A 43 15.089 15.448 3.603 1.00 0.00 C ATOM 696 CE LYS A 43 13.951 16.423 3.867 1.00 0.00 C ATOM 697 NZ LYS A 43 14.434 17.831 3.949 1.00 0.00 N ATOM 0 H LYS A 43 12.026 14.521 2.712 1.00 0.00 H new ATOM 0 HA LYS A 43 12.733 11.757 3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.472 14.160 4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.365 12.673 4.736 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.411 13.454 2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.963 14.217 2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.682 15.326 4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.751 15.859 2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.209 16.339 3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.452 16.155 4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.764 18.396 4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.369 17.851 4.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.507 18.229 2.991 1.00 0.00 H new ATOM 711 N ASN A 44 10.523 11.670 4.680 1.00 0.00 N ATOM 712 CA ASN A 44 9.505 11.412 5.689 1.00 0.00 C ATOM 713 C ASN A 44 9.351 9.909 5.934 1.00 0.00 C ATOM 714 O ASN A 44 10.023 9.346 6.799 1.00 0.00 O ATOM 715 CB ASN A 44 8.180 12.028 5.236 1.00 0.00 C ATOM 716 CG ASN A 44 7.011 11.645 6.129 1.00 0.00 C ATOM 717 OD1 ASN A 44 7.188 10.991 7.157 1.00 0.00 O ATOM 718 ND2 ASN A 44 5.809 12.053 5.738 1.00 0.00 N ATOM 0 H ASN A 44 10.425 11.112 3.832 1.00 0.00 H new ATOM 0 HA ASN A 44 9.809 11.869 6.631 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.277 13.114 5.220 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.969 11.711 4.215 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.987 11.826 6.297 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.708 12.593 4.879 1.00 0.00 H new ATOM 725 N PHE A 45 8.466 9.274 5.153 1.00 0.00 N ATOM 726 CA PHE A 45 8.198 7.834 5.238 1.00 0.00 C ATOM 727 C PHE A 45 9.199 7.100 6.125 1.00 0.00 C ATOM 728 O PHE A 45 10.237 6.639 5.652 1.00 0.00 O ATOM 729 CB PHE A 45 8.210 7.213 3.832 1.00 0.00 C ATOM 730 CG PHE A 45 9.528 7.389 3.105 1.00 0.00 C ATOM 731 CD1 PHE A 45 10.133 8.635 3.063 1.00 0.00 C ATOM 732 CD2 PHE A 45 10.163 6.326 2.461 1.00 0.00 C ATOM 733 CE1 PHE A 45 11.326 8.830 2.408 1.00 0.00 C ATOM 734 CE2 PHE A 45 11.363 6.520 1.802 1.00 0.00 C ATOM 735 CZ PHE A 45 11.946 7.772 1.776 1.00 0.00 C ATOM 0 H PHE A 45 7.913 9.750 4.440 1.00 0.00 H new ATOM 0 HA PHE A 45 7.214 7.722 5.693 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.987 6.149 3.911 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.414 7.662 3.238 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.657 9.470 3.555 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.714 5.344 2.478 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.778 9.811 2.388 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.846 5.691 1.306 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.884 7.922 1.263 1.00 0.00 H new ATOM 745 N LYS A 46 8.869 6.992 7.408 1.00 0.00 N ATOM 746 CA LYS A 46 9.719 6.300 8.370 1.00 0.00 C ATOM 747 C LYS A 46 9.190 4.883 8.594 1.00 0.00 C ATOM 748 O LYS A 46 8.222 4.687 9.328 1.00 0.00 O ATOM 749 CB LYS A 46 9.750 7.068 9.696 1.00 0.00 C ATOM 750 CG LYS A 46 11.029 6.873 10.500 1.00 0.00 C ATOM 751 CD LYS A 46 12.106 7.866 10.088 1.00 0.00 C ATOM 752 CE LYS A 46 12.153 9.058 11.031 1.00 0.00 C ATOM 753 NZ LYS A 46 12.216 8.638 12.457 1.00 0.00 N ATOM 0 H LYS A 46 8.013 7.378 7.807 1.00 0.00 H new ATOM 0 HA LYS A 46 10.734 6.245 7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.622 8.131 9.491 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.901 6.756 10.304 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.813 6.989 11.562 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.397 5.857 10.359 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.076 7.369 10.079 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.915 8.211 9.072 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.022 9.673 10.795 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.271 9.679 10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.734 9.353 13.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.251 8.543 12.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.707 7.724 12.528 1.00 0.00 H new ATOM 767 N PRO A 47 9.792 3.877 7.935 1.00 0.00 N ATOM 768 CA PRO A 47 9.349 2.479 8.032 1.00 0.00 C ATOM 769 C PRO A 47 9.256 1.938 9.452 1.00 0.00 C ATOM 770 O PRO A 47 8.705 0.859 9.674 1.00 0.00 O ATOM 771 CB PRO A 47 10.415 1.728 7.241 1.00 0.00 C ATOM 772 CG PRO A 47 10.811 2.716 6.225 1.00 0.00 C ATOM 773 CD PRO A 47 10.923 4.004 7.000 1.00 0.00 C ATOM 0 HA PRO A 47 8.332 2.367 7.655 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.255 1.433 7.870 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.020 0.818 6.790 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.757 2.449 5.755 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.070 2.791 5.430 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.878 4.090 7.519 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.829 4.880 6.358 1.00 0.00 H new ATOM 781 N THR A 48 9.782 2.679 10.412 1.00 0.00 N ATOM 782 CA THR A 48 9.735 2.248 11.802 1.00 0.00 C ATOM 783 C THR A 48 8.285 2.075 12.239 1.00 0.00 C ATOM 784 O THR A 48 7.869 0.987 12.638 1.00 0.00 O ATOM 785 CB THR A 48 10.448 3.267 12.702 1.00 0.00 C ATOM 786 OG1 THR A 48 10.253 2.952 14.069 1.00 0.00 O ATOM 787 CG2 THR A 48 9.974 4.688 12.488 1.00 0.00 C ATOM 0 H THR A 48 10.244 3.576 10.259 1.00 0.00 H new ATOM 0 HA THR A 48 10.249 1.291 11.894 1.00 0.00 H new ATOM 0 HB THR A 48 11.501 3.206 12.429 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.716 3.612 14.626 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.518 5.357 13.155 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.155 4.980 11.454 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.907 4.752 12.701 1.00 0.00 H new ATOM 795 N LYS A 49 7.518 3.153 12.145 1.00 0.00 N ATOM 796 CA LYS A 49 6.111 3.130 12.509 1.00 0.00 C ATOM 797 C LYS A 49 5.253 3.781 11.421 1.00 0.00 C ATOM 798 O LYS A 49 4.033 3.619 11.408 1.00 0.00 O ATOM 799 CB LYS A 49 5.895 3.845 13.846 1.00 0.00 C ATOM 800 CG LYS A 49 6.947 3.508 14.892 1.00 0.00 C ATOM 801 CD LYS A 49 6.383 3.577 16.306 1.00 0.00 C ATOM 802 CE LYS A 49 5.686 4.904 16.582 1.00 0.00 C ATOM 803 NZ LYS A 49 4.310 4.937 16.016 1.00 0.00 N ATOM 0 H LYS A 49 7.851 4.060 11.817 1.00 0.00 H new ATOM 0 HA LYS A 49 5.805 2.089 12.610 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.894 4.922 13.677 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.911 3.583 14.234 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.338 2.508 14.705 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.785 4.200 14.801 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.677 2.760 16.454 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.190 3.436 17.025 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.640 5.073 17.658 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.273 5.718 16.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.674 5.426 16.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.320 5.443 15.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.973 3.965 15.866 1.00 0.00 H new ATOM 817 N TYR A 50 5.890 4.541 10.524 1.00 0.00 N ATOM 818 CA TYR A 50 5.167 5.228 9.465 1.00 0.00 C ATOM 819 C TYR A 50 5.034 4.393 8.189 1.00 0.00 C ATOM 820 O TYR A 50 4.233 4.733 7.321 1.00 0.00 O ATOM 821 CB TYR A 50 5.837 6.563 9.145 1.00 0.00 C ATOM 822 CG TYR A 50 5.633 7.611 10.216 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.390 7.792 10.812 1.00 0.00 C ATOM 824 CD2 TYR A 50 6.682 8.419 10.632 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.200 8.749 11.790 1.00 0.00 C ATOM 826 CE2 TYR A 50 6.501 9.378 11.611 1.00 0.00 C ATOM 827 CZ TYR A 50 5.258 9.539 12.187 1.00 0.00 C ATOM 828 OH TYR A 50 5.073 10.494 13.160 1.00 0.00 O ATOM 0 H TYR A 50 6.899 4.691 10.515 1.00 0.00 H new ATOM 0 HA TYR A 50 4.158 5.399 9.840 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.906 6.400 9.006 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.446 6.940 8.200 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.559 7.174 10.505 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.657 8.296 10.183 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.227 8.878 12.241 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.328 9.998 11.923 1.00 0.00 H new ATOM 0 HH TYR A 50 5.918 10.962 13.324 1.00 0.00 H new ATOM 838 N SER A 51 5.814 3.313 8.066 1.00 0.00 N ATOM 839 CA SER A 51 5.759 2.455 6.875 1.00 0.00 C ATOM 840 C SER A 51 4.318 2.210 6.413 1.00 0.00 C ATOM 841 O SER A 51 3.688 1.232 6.815 1.00 0.00 O ATOM 842 CB SER A 51 6.453 1.115 7.163 1.00 0.00 C ATOM 843 OG SER A 51 5.692 0.012 6.698 1.00 0.00 O ATOM 0 H SER A 51 6.487 3.013 8.771 1.00 0.00 H new ATOM 0 HA SER A 51 6.280 2.973 6.070 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.434 1.105 6.687 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.618 1.015 8.236 1.00 0.00 H new ATOM 0 HG SER A 51 4.842 -0.027 7.184 1.00 0.00 H new ATOM 849 N SER A 52 3.797 3.096 5.561 1.00 0.00 N ATOM 850 CA SER A 52 2.435 2.940 5.055 1.00 0.00 C ATOM 851 C SER A 52 2.075 4.005 4.028 1.00 0.00 C ATOM 852 O SER A 52 2.646 5.090 4.008 1.00 0.00 O ATOM 853 CB SER A 52 1.430 2.964 6.209 1.00 0.00 C ATOM 854 OG SER A 52 1.567 4.145 6.980 1.00 0.00 O ATOM 0 H SER A 52 4.291 3.917 5.212 1.00 0.00 H new ATOM 0 HA SER A 52 2.389 1.973 4.554 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.416 2.899 5.814 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.580 2.091 6.845 1.00 0.00 H new ATOM 0 HG SER A 52 2.514 4.297 7.181 1.00 0.00 H new ATOM 860 N ILE A 53 1.123 3.666 3.167 1.00 0.00 N ATOM 861 CA ILE A 53 0.661 4.554 2.116 1.00 0.00 C ATOM 862 C ILE A 53 -0.860 4.491 2.041 1.00 0.00 C ATOM 863 O ILE A 53 -1.459 3.505 2.473 1.00 0.00 O ATOM 864 CB ILE A 53 1.246 4.107 0.764 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.762 3.862 0.871 1.00 0.00 C ATOM 866 CG2 ILE A 53 0.916 5.090 -0.366 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.620 5.109 0.883 1.00 0.00 C ATOM 0 H ILE A 53 0.650 2.762 3.181 1.00 0.00 H new ATOM 0 HA ILE A 53 0.984 5.572 2.335 1.00 0.00 H new ATOM 0 HB ILE A 53 0.769 3.162 0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.959 3.297 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.072 3.236 0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.350 4.731 -1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.166 5.168 -0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.328 6.070 -0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.670 4.827 0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.462 5.668 -0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.347 5.731 1.736 1.00 0.00 H new ATOM 879 N CYS A 54 -1.493 5.527 1.503 1.00 0.00 N ATOM 880 CA CYS A 54 -2.940 5.533 1.404 1.00 0.00 C ATOM 881 C CYS A 54 -3.374 5.364 -0.063 1.00 0.00 C ATOM 882 O CYS A 54 -2.568 5.548 -0.975 1.00 0.00 O ATOM 883 CB CYS A 54 -3.497 6.805 2.049 1.00 0.00 C ATOM 884 SG CYS A 54 -3.712 8.201 0.935 1.00 0.00 S ATOM 0 H CYS A 54 -1.032 6.359 1.135 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.355 4.687 1.951 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.460 6.571 2.502 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.830 7.105 2.857 1.00 0.00 H new ATOM 889 N SER A 55 -4.627 4.959 -0.282 1.00 0.00 N ATOM 890 CA SER A 55 -5.136 4.699 -1.634 1.00 0.00 C ATOM 891 C SER A 55 -5.091 5.919 -2.560 1.00 0.00 C ATOM 892 O SER A 55 -4.863 5.777 -3.760 1.00 0.00 O ATOM 893 CB SER A 55 -6.571 4.177 -1.561 1.00 0.00 C ATOM 894 OG SER A 55 -6.884 3.725 -0.257 1.00 0.00 O ATOM 0 H SER A 55 -5.310 4.803 0.459 1.00 0.00 H new ATOM 0 HA SER A 55 -4.470 3.951 -2.065 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.264 4.967 -1.851 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.701 3.362 -2.273 1.00 0.00 H new ATOM 0 HG SER A 55 -6.083 3.342 0.157 1.00 0.00 H new ATOM 900 N GLU A 56 -5.343 7.105 -2.016 1.00 0.00 N ATOM 901 CA GLU A 56 -5.366 8.327 -2.785 1.00 0.00 C ATOM 902 C GLU A 56 -4.261 8.409 -3.849 1.00 0.00 C ATOM 903 O GLU A 56 -4.413 9.110 -4.848 1.00 0.00 O ATOM 904 CB GLU A 56 -5.267 9.500 -1.824 1.00 0.00 C ATOM 905 CG GLU A 56 -6.381 9.521 -0.802 1.00 0.00 C ATOM 906 CD GLU A 56 -6.741 10.924 -0.356 1.00 0.00 C ATOM 907 OE1 GLU A 56 -5.814 11.715 -0.080 1.00 0.00 O ATOM 908 OE2 GLU A 56 -7.949 11.233 -0.280 1.00 0.00 O ATOM 0 H GLU A 56 -5.537 7.238 -1.023 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.305 8.352 -3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.308 9.460 -1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.284 10.430 -2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.264 9.041 -1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.083 8.934 0.066 1.00 0.00 H new ATOM 915 N HIS A 57 -3.148 7.717 -3.622 1.00 0.00 N ATOM 916 CA HIS A 57 -2.023 7.746 -4.562 1.00 0.00 C ATOM 917 C HIS A 57 -1.992 6.507 -5.452 1.00 0.00 C ATOM 918 O HIS A 57 -1.403 6.527 -6.533 1.00 0.00 O ATOM 919 CB HIS A 57 -0.709 7.870 -3.777 1.00 0.00 C ATOM 920 CG HIS A 57 -0.829 8.790 -2.614 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.248 10.101 -2.716 1.00 0.00 N ATOM 922 CD2 HIS A 57 -0.654 8.546 -1.302 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.330 10.621 -1.498 1.00 0.00 C ATOM 924 NE2 HIS A 57 -0.977 9.691 -0.619 1.00 0.00 N ATOM 0 H HIS A 57 -2.998 7.131 -2.801 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.148 8.609 -5.216 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.403 6.884 -3.427 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.076 8.230 -4.442 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.460 10.590 -3.586 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.320 7.616 -0.866 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.633 11.630 -1.262 1.00 0.00 H new ATOM 932 N PHE A 58 -2.622 5.431 -4.999 1.00 0.00 N ATOM 933 CA PHE A 58 -2.652 4.193 -5.768 1.00 0.00 C ATOM 934 C PHE A 58 -3.761 4.228 -6.818 1.00 0.00 C ATOM 935 O PHE A 58 -4.779 4.895 -6.636 1.00 0.00 O ATOM 936 CB PHE A 58 -2.854 2.999 -4.839 1.00 0.00 C ATOM 937 CG PHE A 58 -1.594 2.592 -4.138 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.593 1.930 -4.827 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.402 2.883 -2.797 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.575 1.564 -4.193 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.235 2.520 -2.160 1.00 0.00 C ATOM 942 CZ PHE A 58 0.753 1.861 -2.858 1.00 0.00 C ATOM 0 H PHE A 58 -3.117 5.390 -4.108 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.695 4.090 -6.281 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.614 3.245 -4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.233 2.155 -5.416 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.728 1.698 -5.873 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.174 3.399 -2.246 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.349 1.046 -4.740 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.095 2.752 -1.115 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.668 1.577 -2.359 1.00 0.00 H new ATOM 952 N THR A 59 -3.562 3.499 -7.913 1.00 0.00 N ATOM 953 CA THR A 59 -4.552 3.442 -8.986 1.00 0.00 C ATOM 954 C THR A 59 -5.556 2.319 -8.737 1.00 0.00 C ATOM 955 O THR A 59 -5.204 1.254 -8.229 1.00 0.00 O ATOM 956 CB THR A 59 -3.875 3.225 -10.348 1.00 0.00 C ATOM 957 OG1 THR A 59 -2.876 2.227 -10.254 1.00 0.00 O ATOM 958 CG2 THR A 59 -3.225 4.467 -10.934 1.00 0.00 C ATOM 0 H THR A 59 -2.725 2.940 -8.081 1.00 0.00 H new ATOM 0 HA THR A 59 -5.077 4.397 -8.999 1.00 0.00 H new ATOM 0 HB THR A 59 -4.687 2.928 -11.012 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.456 2.101 -11.131 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.772 4.222 -11.895 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.980 5.240 -11.075 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.456 4.831 -10.253 1.00 0.00 H new ATOM 966 N PRO A 60 -6.823 2.549 -9.111 1.00 0.00 N ATOM 967 CA PRO A 60 -7.901 1.564 -8.949 1.00 0.00 C ATOM 968 C PRO A 60 -7.519 0.204 -9.515 1.00 0.00 C ATOM 969 O PRO A 60 -7.851 -0.836 -8.948 1.00 0.00 O ATOM 970 CB PRO A 60 -9.044 2.171 -9.766 1.00 0.00 C ATOM 971 CG PRO A 60 -8.792 3.624 -9.720 1.00 0.00 C ATOM 972 CD PRO A 60 -7.305 3.790 -9.735 1.00 0.00 C ATOM 0 HA PRO A 60 -8.146 1.385 -7.902 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.042 1.799 -10.791 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.015 1.922 -9.338 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.248 4.126 -10.573 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.224 4.066 -8.822 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.923 3.906 -10.749 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.992 4.671 -9.174 1.00 0.00 H new ATOM 980 N ASP A 61 -6.819 0.227 -10.644 1.00 0.00 N ATOM 981 CA ASP A 61 -6.387 -1.001 -11.305 1.00 0.00 C ATOM 982 C ASP A 61 -5.538 -1.854 -10.371 1.00 0.00 C ATOM 983 O ASP A 61 -5.529 -3.082 -10.465 1.00 0.00 O ATOM 984 CB ASP A 61 -5.599 -0.672 -12.575 1.00 0.00 C ATOM 985 CG ASP A 61 -5.200 -1.916 -13.345 1.00 0.00 C ATOM 986 OD1 ASP A 61 -6.036 -2.432 -14.116 1.00 0.00 O ATOM 987 OD2 ASP A 61 -4.050 -2.373 -13.179 1.00 0.00 O ATOM 0 H ASP A 61 -6.538 1.083 -11.122 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.277 -1.570 -11.575 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.201 -0.028 -13.216 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.704 -0.110 -12.309 1.00 0.00 H new ATOM 992 N CYS A 62 -4.828 -1.192 -9.471 1.00 0.00 N ATOM 993 CA CYS A 62 -3.975 -1.872 -8.512 1.00 0.00 C ATOM 994 C CYS A 62 -4.787 -2.404 -7.329 1.00 0.00 C ATOM 995 O CYS A 62 -4.241 -3.046 -6.433 1.00 0.00 O ATOM 996 CB CYS A 62 -2.864 -0.914 -8.043 1.00 0.00 C ATOM 997 SG CYS A 62 -2.928 -0.447 -6.293 1.00 0.00 S ATOM 0 H CYS A 62 -4.827 -0.176 -9.386 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.515 -2.733 -8.996 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.899 -1.379 -8.242 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.911 -0.007 -8.646 1.00 0.00 H new ATOM 0 HG CYS A 62 -3.412 -1.433 -5.598 1.00 0.00 H new ATOM 1003 N PHE A 63 -6.094 -2.139 -7.329 1.00 0.00 N ATOM 1004 CA PHE A 63 -6.963 -2.598 -6.255 1.00 0.00 C ATOM 1005 C PHE A 63 -7.714 -3.856 -6.673 1.00 0.00 C ATOM 1006 O PHE A 63 -8.929 -3.956 -6.498 1.00 0.00 O ATOM 1007 CB PHE A 63 -7.949 -1.496 -5.864 1.00 0.00 C ATOM 1008 CG PHE A 63 -7.482 -0.663 -4.704 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -7.790 -1.030 -3.404 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -6.733 0.484 -4.914 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -7.362 -0.269 -2.335 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -6.302 1.250 -3.848 1.00 0.00 C ATOM 1013 CZ PHE A 63 -6.616 0.873 -2.557 1.00 0.00 C ATOM 0 H PHE A 63 -6.569 -1.610 -8.060 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.345 -2.838 -5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -8.117 -0.847 -6.724 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.908 -1.949 -5.614 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.372 -1.922 -3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.484 0.782 -5.922 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.610 -0.566 -1.326 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.720 2.143 -4.024 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.279 1.470 -1.722 1.00 0.00 H new ATOM 1023 N LYS A 64 -6.977 -4.814 -7.234 1.00 0.00 N ATOM 1024 CA LYS A 64 -7.554 -6.078 -7.693 1.00 0.00 C ATOM 1025 C LYS A 64 -8.649 -6.577 -6.750 1.00 0.00 C ATOM 1026 O LYS A 64 -9.769 -6.851 -7.181 1.00 0.00 O ATOM 1027 CB LYS A 64 -6.461 -7.140 -7.824 1.00 0.00 C ATOM 1028 CG LYS A 64 -5.446 -6.839 -8.914 1.00 0.00 C ATOM 1029 CD LYS A 64 -4.393 -7.930 -9.013 1.00 0.00 C ATOM 1030 CE LYS A 64 -3.632 -7.853 -10.326 1.00 0.00 C ATOM 1031 NZ LYS A 64 -4.490 -8.218 -11.487 1.00 0.00 N ATOM 0 H LYS A 64 -5.971 -4.738 -7.383 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.007 -5.897 -8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.941 -7.233 -6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.926 -8.104 -8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.958 -6.738 -9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.963 -5.884 -8.709 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.695 -7.840 -8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.870 -8.906 -8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.246 -6.843 -10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.771 -8.521 -10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.889 -8.467 -12.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.087 -9.032 -11.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.095 -7.410 -11.739 1.00 0.00 H new ATOM 1045 N ARG A 65 -8.324 -6.690 -5.464 1.00 0.00 N ATOM 1046 CA ARG A 65 -9.294 -7.153 -4.476 1.00 0.00 C ATOM 1047 C ARG A 65 -9.674 -6.028 -3.517 1.00 0.00 C ATOM 1048 O ARG A 65 -8.834 -5.520 -2.775 1.00 0.00 O ATOM 1049 CB ARG A 65 -8.735 -8.344 -3.693 1.00 0.00 C ATOM 1050 CG ARG A 65 -8.057 -9.381 -4.574 1.00 0.00 C ATOM 1051 CD ARG A 65 -6.551 -9.177 -4.618 1.00 0.00 C ATOM 1052 NE ARG A 65 -5.829 -10.443 -4.705 1.00 0.00 N ATOM 1053 CZ ARG A 65 -4.521 -10.568 -4.488 1.00 0.00 C ATOM 1054 NH1 ARG A 65 -3.790 -9.507 -4.170 1.00 0.00 N ATOM 1055 NH2 ARG A 65 -3.943 -11.756 -4.589 1.00 0.00 N ATOM 0 H ARG A 65 -7.403 -6.469 -5.084 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.191 -7.470 -5.008 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.019 -7.981 -2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.546 -8.820 -3.142 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.279 -10.380 -4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.463 -9.323 -5.584 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.295 -8.554 -5.475 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.232 -8.639 -3.726 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.358 -11.281 -4.946 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.230 -8.590 -4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.789 -9.609 -4.005 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.500 -12.575 -4.833 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.941 -11.852 -4.423 1.00 0.00 H new ATOM 1069 N GLU A 66 -10.947 -5.645 -3.541 1.00 0.00 N ATOM 1070 CA GLU A 66 -11.443 -4.579 -2.677 1.00 0.00 C ATOM 1071 C GLU A 66 -12.088 -5.151 -1.416 1.00 0.00 C ATOM 1072 O GLU A 66 -12.983 -4.538 -0.834 1.00 0.00 O ATOM 1073 CB GLU A 66 -12.453 -3.712 -3.431 1.00 0.00 C ATOM 1074 CG GLU A 66 -12.450 -2.255 -2.997 1.00 0.00 C ATOM 1075 CD GLU A 66 -12.043 -1.313 -4.114 1.00 0.00 C ATOM 1076 OE1 GLU A 66 -11.159 -1.685 -4.913 1.00 0.00 O ATOM 1077 OE2 GLU A 66 -12.611 -0.203 -4.190 1.00 0.00 O ATOM 0 H GLU A 66 -11.654 -6.057 -4.150 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.594 -3.963 -2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.239 -3.765 -4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.452 -4.123 -3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.444 -1.984 -2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.767 -2.132 -2.156 1.00 0.00 H new ATOM 1084 N CYS A 67 -11.626 -6.325 -0.999 1.00 0.00 N ATOM 1085 CA CYS A 67 -12.156 -6.976 0.193 1.00 0.00 C ATOM 1086 C CYS A 67 -11.471 -6.440 1.448 1.00 0.00 C ATOM 1087 O CYS A 67 -10.695 -5.487 1.381 1.00 0.00 O ATOM 1088 CB CYS A 67 -11.968 -8.493 0.095 1.00 0.00 C ATOM 1089 SG CYS A 67 -13.357 -9.453 0.741 1.00 0.00 S ATOM 0 H CYS A 67 -10.885 -6.845 -1.469 1.00 0.00 H new ATOM 0 HA CYS A 67 -13.221 -6.756 0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -11.809 -8.762 -0.949 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -11.064 -8.772 0.637 1.00 0.00 H new ATOM 0 HG CYS A 67 -13.105 -10.722 0.612 1.00 0.00 H new ATOM 1095 N ASN A 68 -11.757 -7.059 2.591 1.00 0.00 N ATOM 1096 CA ASN A 68 -11.164 -6.645 3.857 1.00 0.00 C ATOM 1097 C ASN A 68 -9.650 -6.499 3.725 1.00 0.00 C ATOM 1098 O ASN A 68 -9.038 -5.650 4.372 1.00 0.00 O ATOM 1099 CB ASN A 68 -11.501 -7.667 4.945 1.00 0.00 C ATOM 1100 CG ASN A 68 -10.885 -7.320 6.287 1.00 0.00 C ATOM 1101 OD1 ASN A 68 -9.673 -7.134 6.396 1.00 0.00 O ATOM 1102 ND2 ASN A 68 -11.719 -7.231 7.316 1.00 0.00 N ATOM 0 H ASN A 68 -12.397 -7.850 2.665 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.577 -5.675 4.133 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.584 -7.732 5.053 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.152 -8.651 4.633 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.362 -7.000 8.243 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.717 -7.393 7.179 1.00 0.00 H new ATOM 1109 N ASN A 69 -9.055 -7.332 2.878 1.00 0.00 N ATOM 1110 CA ASN A 69 -7.615 -7.296 2.655 1.00 0.00 C ATOM 1111 C ASN A 69 -7.205 -5.988 1.986 1.00 0.00 C ATOM 1112 O ASN A 69 -8.036 -5.105 1.769 1.00 0.00 O ATOM 1113 CB ASN A 69 -7.184 -8.483 1.790 1.00 0.00 C ATOM 1114 CG ASN A 69 -8.035 -8.628 0.545 1.00 0.00 C ATOM 1115 OD1 ASN A 69 -8.028 -7.763 -0.332 1.00 0.00 O ATOM 1116 ND2 ASN A 69 -8.776 -9.727 0.459 1.00 0.00 N ATOM 0 H ASN A 69 -9.548 -8.040 2.335 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.117 -7.361 3.623 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.140 -8.359 1.501 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.245 -9.399 2.378 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.369 -9.880 -0.357 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.752 -10.418 1.209 1.00 0.00 H new ATOM 1123 N LYS A 70 -5.923 -5.867 1.659 1.00 0.00 N ATOM 1124 CA LYS A 70 -5.409 -4.664 1.014 1.00 0.00 C ATOM 1125 C LYS A 70 -4.547 -5.018 -0.193 1.00 0.00 C ATOM 1126 O LYS A 70 -3.975 -6.105 -0.263 1.00 0.00 O ATOM 1127 CB LYS A 70 -4.601 -3.832 2.010 1.00 0.00 C ATOM 1128 CG LYS A 70 -5.457 -3.159 3.070 1.00 0.00 C ATOM 1129 CD LYS A 70 -4.726 -3.063 4.400 1.00 0.00 C ATOM 1130 CE LYS A 70 -4.365 -4.438 4.937 1.00 0.00 C ATOM 1131 NZ LYS A 70 -2.927 -4.757 4.726 1.00 0.00 N ATOM 0 H LYS A 70 -5.221 -6.587 1.830 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.259 -4.076 0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.869 -4.475 2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.043 -3.070 1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.735 -2.160 2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.382 -3.720 3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.820 -2.470 4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.352 -2.541 5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.594 -4.483 6.002 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.980 -5.192 4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.837 -5.722 4.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.517 -4.082 4.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.420 -4.691 5.632 1.00 0.00 H new ATOM 1145 N LEU A 71 -4.459 -4.090 -1.139 1.00 0.00 N ATOM 1146 CA LEU A 71 -3.663 -4.303 -2.348 1.00 0.00 C ATOM 1147 C LEU A 71 -2.394 -3.454 -2.336 1.00 0.00 C ATOM 1148 O LEU A 71 -2.454 -2.224 -2.347 1.00 0.00 O ATOM 1149 CB LEU A 71 -4.482 -3.988 -3.608 1.00 0.00 C ATOM 1150 CG LEU A 71 -5.466 -5.078 -4.044 1.00 0.00 C ATOM 1151 CD1 LEU A 71 -4.794 -6.043 -5.008 1.00 0.00 C ATOM 1152 CD2 LEU A 71 -6.025 -5.829 -2.842 1.00 0.00 C ATOM 0 H LEU A 71 -4.927 -3.185 -1.095 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.377 -5.355 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.039 -3.067 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.792 -3.796 -4.430 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.299 -4.595 -4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.506 -6.812 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.454 -5.499 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.940 -6.511 -4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.720 -6.596 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.208 -6.298 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.547 -5.131 -2.188 1.00 0.00 H new ATOM 1164 N LEU A 72 -1.248 -4.125 -2.326 1.00 0.00 N ATOM 1165 CA LEU A 72 0.044 -3.453 -2.328 1.00 0.00 C ATOM 1166 C LEU A 72 1.153 -4.452 -2.649 1.00 0.00 C ATOM 1167 O LEU A 72 2.188 -4.490 -1.982 1.00 0.00 O ATOM 1168 CB LEU A 72 0.308 -2.781 -0.979 1.00 0.00 C ATOM 1169 CG LEU A 72 0.454 -3.739 0.205 1.00 0.00 C ATOM 1170 CD1 LEU A 72 1.396 -3.158 1.248 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -0.906 -4.037 0.819 1.00 0.00 C ATOM 0 H LEU A 72 -1.189 -5.143 -2.316 1.00 0.00 H new ATOM 0 HA LEU A 72 0.031 -2.680 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.217 -2.185 -1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.508 -2.090 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 72 0.880 -4.674 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.488 -3.853 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.377 -2.995 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.999 -2.209 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.784 -4.720 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.359 -3.109 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.551 -4.496 0.070 1.00 0.00 H new ATOM 1183 N LYS A 73 0.915 -5.271 -3.671 1.00 0.00 N ATOM 1184 CA LYS A 73 1.873 -6.293 -4.087 1.00 0.00 C ATOM 1185 C LYS A 73 2.731 -5.825 -5.254 1.00 0.00 C ATOM 1186 O LYS A 73 2.677 -4.668 -5.668 1.00 0.00 O ATOM 1187 CB LYS A 73 1.133 -7.578 -4.468 1.00 0.00 C ATOM 1188 CG LYS A 73 1.315 -8.702 -3.461 1.00 0.00 C ATOM 1189 CD LYS A 73 0.903 -8.270 -2.062 1.00 0.00 C ATOM 1190 CE LYS A 73 -0.568 -7.892 -2.009 1.00 0.00 C ATOM 1191 NZ LYS A 73 -0.970 -7.408 -0.658 1.00 0.00 N ATOM 0 H LYS A 73 0.062 -5.246 -4.229 1.00 0.00 H new ATOM 0 HA LYS A 73 2.537 -6.486 -3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.070 -7.360 -4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.483 -7.914 -5.444 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.722 -9.564 -3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.358 -9.019 -3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.098 -9.079 -1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.510 -7.421 -1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.770 -7.116 -2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.175 -8.756 -2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.940 -7.034 -0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.930 -8.196 0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.321 -6.655 -0.352 1.00 0.00 H new ATOM 1205 N GLU A 74 3.532 -6.753 -5.766 1.00 0.00 N ATOM 1206 CA GLU A 74 4.439 -6.490 -6.885 1.00 0.00 C ATOM 1207 C GLU A 74 3.794 -5.617 -7.958 1.00 0.00 C ATOM 1208 O GLU A 74 4.476 -4.868 -8.652 1.00 0.00 O ATOM 1209 CB GLU A 74 4.912 -7.808 -7.502 1.00 0.00 C ATOM 1210 CG GLU A 74 6.402 -7.838 -7.803 1.00 0.00 C ATOM 1211 CD GLU A 74 7.252 -7.697 -6.555 1.00 0.00 C ATOM 1212 OE1 GLU A 74 7.232 -8.621 -5.715 1.00 0.00 O ATOM 1213 OE2 GLU A 74 7.938 -6.662 -6.418 1.00 0.00 O ATOM 0 H GLU A 74 3.573 -7.711 -5.419 1.00 0.00 H new ATOM 0 HA GLU A 74 5.294 -5.943 -6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.670 -8.625 -6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.360 -7.987 -8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.649 -8.775 -8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.645 -7.033 -8.497 1.00 0.00 H new ATOM 1220 N ASN A 75 2.485 -5.718 -8.094 1.00 0.00 N ATOM 1221 CA ASN A 75 1.763 -4.928 -9.089 1.00 0.00 C ATOM 1222 C ASN A 75 1.607 -3.486 -8.623 1.00 0.00 C ATOM 1223 O ASN A 75 1.791 -2.542 -9.391 1.00 0.00 O ATOM 1224 CB ASN A 75 0.386 -5.538 -9.353 1.00 0.00 C ATOM 1225 CG ASN A 75 0.476 -6.901 -10.008 1.00 0.00 C ATOM 1226 OD1 ASN A 75 0.888 -7.021 -11.162 1.00 0.00 O ATOM 1227 ND2 ASN A 75 0.089 -7.937 -9.273 1.00 0.00 N ATOM 0 H ASN A 75 1.897 -6.335 -7.533 1.00 0.00 H new ATOM 0 HA ASN A 75 2.341 -4.936 -10.013 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.157 -5.625 -8.412 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.189 -4.868 -9.992 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.126 -8.880 -9.661 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.246 -7.790 -8.321 1.00 0.00 H new ATOM 1234 N ALA A 76 1.249 -3.343 -7.358 1.00 0.00 N ATOM 1235 CA ALA A 76 1.031 -2.051 -6.730 1.00 0.00 C ATOM 1236 C ALA A 76 2.019 -0.982 -7.180 1.00 0.00 C ATOM 1237 O ALA A 76 3.155 -1.279 -7.547 1.00 0.00 O ATOM 1238 CB ALA A 76 1.072 -2.206 -5.221 1.00 0.00 C ATOM 0 H ALA A 76 1.100 -4.132 -6.730 1.00 0.00 H new ATOM 0 HA ALA A 76 0.047 -1.706 -7.048 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.908 -1.236 -4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.292 -2.899 -4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.045 -2.595 -4.921 1.00 0.00 H new ATOM 1244 N VAL A 77 1.556 0.269 -7.139 1.00 0.00 N ATOM 1245 CA VAL A 77 2.359 1.422 -7.528 1.00 0.00 C ATOM 1246 C VAL A 77 1.604 2.724 -7.206 1.00 0.00 C ATOM 1247 O VAL A 77 0.397 2.814 -7.428 1.00 0.00 O ATOM 1248 CB VAL A 77 2.696 1.359 -9.039 1.00 0.00 C ATOM 1249 CG1 VAL A 77 2.856 2.748 -9.646 1.00 0.00 C ATOM 1250 CG2 VAL A 77 3.950 0.533 -9.272 1.00 0.00 C ATOM 0 H VAL A 77 0.612 0.508 -6.834 1.00 0.00 H new ATOM 0 HA VAL A 77 3.291 1.406 -6.963 1.00 0.00 H new ATOM 0 HB VAL A 77 1.855 0.877 -9.539 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.092 2.657 -10.706 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.927 3.306 -9.527 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.664 3.276 -9.139 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.171 0.500 -10.339 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.788 0.986 -8.742 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.792 -0.480 -8.903 1.00 0.00 H new ATOM 1260 N PRO A 78 2.301 3.753 -6.679 1.00 0.00 N ATOM 1261 CA PRO A 78 1.693 5.039 -6.331 1.00 0.00 C ATOM 1262 C PRO A 78 1.669 6.028 -7.500 1.00 0.00 C ATOM 1263 O PRO A 78 1.816 7.233 -7.298 1.00 0.00 O ATOM 1264 CB PRO A 78 2.605 5.546 -5.233 1.00 0.00 C ATOM 1265 CG PRO A 78 3.957 5.026 -5.595 1.00 0.00 C ATOM 1266 CD PRO A 78 3.742 3.749 -6.375 1.00 0.00 C ATOM 0 HA PRO A 78 0.647 4.932 -6.043 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.599 6.635 -5.184 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.289 5.182 -4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.504 5.756 -6.192 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.550 4.837 -4.700 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.341 3.732 -7.285 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.024 2.873 -5.791 1.00 0.00 H new ATOM 1274 N THR A 79 1.499 5.492 -8.710 1.00 0.00 N ATOM 1275 CA THR A 79 1.457 6.270 -9.961 1.00 0.00 C ATOM 1276 C THR A 79 1.454 7.792 -9.762 1.00 0.00 C ATOM 1277 O THR A 79 2.298 8.491 -10.322 1.00 0.00 O ATOM 1278 CB THR A 79 0.229 5.863 -10.784 1.00 0.00 C ATOM 1279 OG1 THR A 79 -0.507 4.846 -10.128 1.00 0.00 O ATOM 1280 CG2 THR A 79 0.577 5.355 -12.167 1.00 0.00 C ATOM 0 H THR A 79 1.384 4.489 -8.856 1.00 0.00 H new ATOM 0 HA THR A 79 2.381 6.033 -10.488 1.00 0.00 H new ATOM 0 HB THR A 79 -0.362 6.774 -10.884 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.547 4.051 -10.699 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.337 5.084 -12.696 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.099 6.135 -12.721 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.220 4.479 -12.082 1.00 0.00 H new ATOM 1288 N ILE A 80 0.486 8.303 -9.002 1.00 0.00 N ATOM 1289 CA ILE A 80 0.356 9.735 -8.776 1.00 0.00 C ATOM 1290 C ILE A 80 1.701 10.442 -8.568 1.00 0.00 C ATOM 1291 O ILE A 80 1.840 11.622 -8.889 1.00 0.00 O ATOM 1292 CB ILE A 80 -0.588 10.029 -7.606 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -2.010 9.877 -8.116 1.00 0.00 C ATOM 1294 CG2 ILE A 80 -0.375 11.433 -7.045 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -3.045 10.006 -7.043 1.00 0.00 C ATOM 0 H ILE A 80 -0.222 7.739 -8.531 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.074 10.142 -9.691 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.387 9.332 -6.792 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.196 10.630 -8.882 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.114 8.903 -8.595 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.063 11.602 -6.217 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.651 11.531 -6.690 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.560 12.169 -7.827 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.037 9.887 -7.478 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.885 9.236 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.968 10.990 -6.580 1.00 0.00 H new ATOM 1307 N PHE A 81 2.690 9.728 -8.031 1.00 0.00 N ATOM 1308 CA PHE A 81 4.000 10.309 -7.794 1.00 0.00 C ATOM 1309 C PHE A 81 5.065 9.663 -8.679 1.00 0.00 C ATOM 1310 O PHE A 81 6.149 10.217 -8.858 1.00 0.00 O ATOM 1311 CB PHE A 81 4.404 10.203 -6.315 1.00 0.00 C ATOM 1312 CG PHE A 81 3.350 10.675 -5.354 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.084 10.112 -5.358 1.00 0.00 C ATOM 1314 CD2 PHE A 81 3.630 11.676 -4.438 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.122 10.537 -4.469 1.00 0.00 C ATOM 1316 CE2 PHE A 81 2.668 12.106 -3.546 1.00 0.00 C ATOM 1317 CZ PHE A 81 1.411 11.534 -3.562 1.00 0.00 C ATOM 0 H PHE A 81 2.604 8.750 -7.755 1.00 0.00 H new ATOM 0 HA PHE A 81 3.931 11.365 -8.055 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.647 9.165 -6.090 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.312 10.784 -6.155 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.849 9.331 -6.066 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.612 12.125 -4.422 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.140 10.089 -4.482 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.898 12.888 -2.837 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.656 11.867 -2.865 1.00 0.00 H new ATOM 1327 N LEU A 82 4.753 8.496 -9.236 1.00 0.00 N ATOM 1328 CA LEU A 82 5.692 7.793 -10.106 1.00 0.00 C ATOM 1329 C LEU A 82 5.757 8.460 -11.475 1.00 0.00 C ATOM 1330 O LEU A 82 4.911 8.218 -12.336 1.00 0.00 O ATOM 1331 CB LEU A 82 5.284 6.327 -10.257 1.00 0.00 C ATOM 1332 CG LEU A 82 6.172 5.505 -11.193 1.00 0.00 C ATOM 1333 CD1 LEU A 82 7.336 4.895 -10.425 1.00 0.00 C ATOM 1334 CD2 LEU A 82 5.357 4.422 -11.884 1.00 0.00 C ATOM 0 H LEU A 82 3.862 8.019 -9.102 1.00 0.00 H new ATOM 0 HA LEU A 82 6.680 7.838 -9.649 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.289 5.860 -9.272 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.258 6.286 -10.624 1.00 0.00 H new ATOM 0 HG LEU A 82 6.577 6.169 -11.957 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.957 4.314 -11.107 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.933 5.690 -9.978 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.952 4.244 -9.639 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.004 3.847 -12.546 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.923 3.760 -11.135 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.559 4.883 -12.467 1.00 0.00 H new ATOM 1346 N GLU A 83 6.764 9.305 -11.669 1.00 0.00 N ATOM 1347 CA GLU A 83 6.938 10.012 -12.933 1.00 0.00 C ATOM 1348 C GLU A 83 7.345 9.056 -14.049 1.00 0.00 C ATOM 1349 O GLU A 83 6.978 9.250 -15.208 1.00 0.00 O ATOM 1350 CB GLU A 83 7.989 11.113 -12.783 1.00 0.00 C ATOM 1351 CG GLU A 83 7.756 12.017 -11.583 1.00 0.00 C ATOM 1352 CD GLU A 83 6.494 12.847 -11.716 1.00 0.00 C ATOM 1353 OE1 GLU A 83 6.149 13.225 -12.856 1.00 0.00 O ATOM 1354 OE2 GLU A 83 5.851 13.121 -10.680 1.00 0.00 O ATOM 0 H GLU A 83 7.473 9.517 -10.967 1.00 0.00 H new ATOM 0 HA GLU A 83 5.981 10.461 -13.200 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.974 10.654 -12.696 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.999 11.720 -13.688 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.693 11.408 -10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.612 12.681 -11.461 1.00 0.00 H new ATOM 1361 N LEU A 84 8.107 8.026 -13.696 1.00 0.00 N ATOM 1362 CA LEU A 84 8.564 7.046 -14.675 1.00 0.00 C ATOM 1363 C LEU A 84 7.904 5.690 -14.444 1.00 0.00 C ATOM 1364 O LEU A 84 8.001 5.117 -13.359 1.00 0.00 O ATOM 1365 CB LEU A 84 10.086 6.904 -14.611 1.00 0.00 C ATOM 1366 CG LEU A 84 10.860 7.792 -15.587 1.00 0.00 C ATOM 1367 CD1 LEU A 84 12.343 7.801 -15.242 1.00 0.00 C ATOM 1368 CD2 LEU A 84 10.646 7.320 -17.017 1.00 0.00 C ATOM 0 H LEU A 84 8.421 7.848 -12.742 1.00 0.00 H new ATOM 0 HA LEU A 84 8.279 7.401 -15.665 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.415 7.132 -13.597 1.00 0.00 H new ATOM 0 HB3 LEU A 84 10.347 5.864 -14.805 1.00 0.00 H new ATOM 0 HG LEU A 84 10.483 8.811 -15.500 1.00 0.00 H new ATOM 0 HD11 LEU A 84 12.877 8.438 -15.947 1.00 0.00 H new ATOM 0 HD12 LEU A 84 12.479 8.185 -14.231 1.00 0.00 H new ATOM 0 HD13 LEU A 84 12.736 6.786 -15.300 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.203 7.962 -17.699 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.997 6.293 -17.117 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.585 7.366 -17.260 1.00 0.00 H new ATOM 1380 N VAL A 85 7.236 5.181 -15.475 1.00 0.00 N ATOM 1381 CA VAL A 85 6.563 3.890 -15.389 1.00 0.00 C ATOM 1382 C VAL A 85 7.521 2.752 -15.736 1.00 0.00 C ATOM 1383 O VAL A 85 8.382 2.902 -16.602 1.00 0.00 O ATOM 1384 CB VAL A 85 5.347 3.828 -16.335 1.00 0.00 C ATOM 1385 CG1 VAL A 85 4.535 2.567 -16.084 1.00 0.00 C ATOM 1386 CG2 VAL A 85 4.482 5.069 -16.175 1.00 0.00 C ATOM 0 H VAL A 85 7.147 5.643 -16.380 1.00 0.00 H new ATOM 0 HA VAL A 85 6.220 3.776 -14.361 1.00 0.00 H new ATOM 0 HB VAL A 85 5.712 3.797 -17.362 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.682 2.543 -16.762 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.160 1.691 -16.257 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.180 2.562 -15.053 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.629 5.007 -16.851 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.127 5.135 -15.147 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.070 5.955 -16.413 1.00 0.00 H new ATOM 1396 N PRO A 86 7.386 1.593 -15.066 1.00 0.00 N ATOM 1397 CA PRO A 86 8.245 0.425 -15.307 1.00 0.00 C ATOM 1398 C PRO A 86 8.211 -0.035 -16.761 1.00 0.00 C ATOM 1399 O PRO A 86 7.260 -0.683 -17.196 1.00 0.00 O ATOM 1400 CB PRO A 86 7.623 -0.631 -14.388 1.00 0.00 C ATOM 1401 CG PRO A 86 7.041 0.171 -13.292 1.00 0.00 C ATOM 1402 CD PRO A 86 6.392 1.304 -14.015 1.00 0.00 C ATOM 0 HA PRO A 86 9.298 0.629 -15.110 1.00 0.00 H new ATOM 0 HB2 PRO A 86 6.863 -1.217 -14.905 1.00 0.00 H new ATOM 0 HB3 PRO A 86 8.370 -1.333 -14.019 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.320 -0.403 -12.711 1.00 0.00 H new ATOM 0 HG3 PRO A 86 7.805 0.520 -12.597 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.425 1.024 -14.432 1.00 0.00 H new ATOM 0 HD3 PRO A 86 6.222 2.162 -13.364 1.00 0.00 H new ATOM 1410 N ARG A 87 9.259 0.304 -17.507 1.00 0.00 N ATOM 1411 CA ARG A 87 9.351 -0.075 -18.912 1.00 0.00 C ATOM 1412 C ARG A 87 10.213 -1.322 -19.082 1.00 0.00 C ATOM 1413 O ARG A 87 9.643 -2.407 -19.320 1.00 0.00 O ATOM 1414 CB ARG A 87 9.928 1.077 -19.738 1.00 0.00 C ATOM 1415 CG ARG A 87 10.057 0.761 -21.220 1.00 0.00 C ATOM 1416 CD ARG A 87 8.940 1.403 -22.027 1.00 0.00 C ATOM 1417 NE ARG A 87 9.358 2.669 -22.629 1.00 0.00 N ATOM 1418 CZ ARG A 87 8.739 3.240 -23.659 1.00 0.00 C ATOM 1419 NH1 ARG A 87 7.674 2.666 -24.205 1.00 0.00 N ATOM 1420 NH2 ARG A 87 9.184 4.391 -24.143 1.00 0.00 N ATOM 1421 OXT ARG A 87 11.452 -1.201 -18.978 1.00 0.00 O ATOM 0 H ARG A 87 10.055 0.840 -17.162 1.00 0.00 H new ATOM 0 HA ARG A 87 8.346 -0.298 -19.269 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.292 1.954 -19.616 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.910 1.339 -19.344 1.00 0.00 H new ATOM 0 HG2 ARG A 87 11.021 1.115 -21.586 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.038 -0.319 -21.366 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.619 0.717 -22.811 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.079 1.575 -21.381 1.00 0.00 H new ATOM 0 HE ARG A 87 10.172 3.142 -22.236 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.325 1.782 -23.835 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.204 3.109 -24.994 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.000 4.838 -23.726 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.710 4.830 -24.933 1.00 0.00 H new TER 1435 ARG A 87 HETATM 1436 ZN ZN A 88 -1.994 9.727 1.108 1.00 0.00 ZN