USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 677 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 25 HIS HE2 : A 25 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 65 HIS HE2 : A 65 HIS NE2 : A 602 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 602 ZNZN :(H bumps) USER MOD Set 1.1: A 22 HIS : no HD1:sc= -1.62 K(o=-4.6,f=-5.5) USER MOD Set 1.2: A 69 MET CE :methyl 147:sc= -2.94! (180deg=-2.26) USER MOD Set 1.3: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0592) USER MOD Single : A 4 LYS NZ :NH3+ 152:sc= -0.0934 (180deg=-0.642) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00378 USER MOD Single : A 18 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.091) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -170:sc= -0.931 USER MOD Single : A 32 TYR OH : rot 28:sc= -1.35 USER MOD Single : A 33 HIS : no HD1:sc= -3.21 K(o=-3.2,f=-2.4) USER MOD Single : A 36 THR OG1 : rot 168:sc= 0.925 USER MOD Single : A 37 ASN : amide:sc= -0.77 K(o=-0.77,f=-4.8!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= 0.53 (180deg=0.427) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 41:sc= 0.283 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 22.663 8.693 -29.349 1.00 0.00 N ATOM 2 CA GLU A 1 23.007 7.881 -28.153 1.00 0.00 C ATOM 3 C GLU A 1 21.985 8.077 -27.039 1.00 0.00 C ATOM 4 O GLU A 1 21.745 9.200 -26.595 1.00 0.00 O ATOM 5 CB GLU A 1 24.400 8.291 -27.671 1.00 0.00 C ATOM 6 CG GLU A 1 25.206 7.142 -27.090 1.00 0.00 C ATOM 7 CD GLU A 1 24.865 6.867 -25.638 1.00 0.00 C ATOM 8 OE1 GLU A 1 25.011 7.789 -24.810 1.00 0.00 O ATOM 9 OE2 GLU A 1 24.454 5.729 -25.330 1.00 0.00 O ATOM 0 H1 GLU A 1 23.376 8.539 -30.090 1.00 0.00 H new ATOM 0 H2 GLU A 1 21.728 8.409 -29.704 1.00 0.00 H new ATOM 0 H3 GLU A 1 22.644 9.700 -29.091 1.00 0.00 H new ATOM 0 HA GLU A 1 22.997 6.825 -28.423 1.00 0.00 H new ATOM 0 HB2 GLU A 1 24.951 8.725 -28.506 1.00 0.00 H new ATOM 0 HB3 GLU A 1 24.299 9.071 -26.916 1.00 0.00 H new ATOM 0 HG2 GLU A 1 25.026 6.242 -27.678 1.00 0.00 H new ATOM 0 HG3 GLU A 1 26.269 7.370 -27.173 1.00 0.00 H new ATOM 18 N SER A 2 21.385 6.976 -26.592 1.00 0.00 N ATOM 19 CA SER A 2 20.387 7.021 -25.528 1.00 0.00 C ATOM 20 C SER A 2 19.164 7.826 -25.959 1.00 0.00 C ATOM 21 O SER A 2 18.139 7.258 -26.337 1.00 0.00 O ATOM 22 CB SER A 2 20.989 7.620 -24.254 1.00 0.00 C ATOM 23 OG SER A 2 21.958 6.754 -23.691 1.00 0.00 O ATOM 0 H SER A 2 21.574 6.040 -26.952 1.00 0.00 H new ATOM 0 HA SER A 2 20.070 5.999 -25.322 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.446 8.583 -24.482 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.198 7.807 -23.528 1.00 0.00 H new ATOM 0 HG SER A 2 22.328 7.161 -22.880 1.00 0.00 H new ATOM 29 N LYS A 3 19.276 9.148 -25.898 1.00 0.00 N ATOM 30 CA LYS A 3 18.176 10.027 -26.281 1.00 0.00 C ATOM 31 C LYS A 3 16.954 9.783 -25.401 1.00 0.00 C ATOM 32 O LYS A 3 15.817 9.886 -25.860 1.00 0.00 O ATOM 33 CB LYS A 3 17.813 9.813 -27.750 1.00 0.00 C ATOM 34 CG LYS A 3 17.311 11.071 -28.442 1.00 0.00 C ATOM 35 CD LYS A 3 15.792 11.111 -28.489 1.00 0.00 C ATOM 36 CE LYS A 3 15.293 12.085 -29.545 1.00 0.00 C ATOM 37 NZ LYS A 3 15.815 13.462 -29.321 1.00 0.00 N ATOM 0 H LYS A 3 20.117 9.635 -25.587 1.00 0.00 H new ATOM 0 HA LYS A 3 18.501 11.058 -26.142 1.00 0.00 H new ATOM 0 HB2 LYS A 3 18.689 9.441 -28.282 1.00 0.00 H new ATOM 0 HB3 LYS A 3 17.047 9.041 -27.818 1.00 0.00 H new ATOM 0 HG2 LYS A 3 17.683 11.950 -27.916 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.709 11.114 -29.456 1.00 0.00 H new ATOM 0 HD2 LYS A 3 15.407 10.114 -28.701 1.00 0.00 H new ATOM 0 HD3 LYS A 3 15.404 11.401 -27.513 1.00 0.00 H new ATOM 0 HE2 LYS A 3 15.597 11.737 -30.532 1.00 0.00 H new ATOM 0 HE3 LYS A 3 14.203 12.104 -29.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 15.336 14.124 -29.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 15.636 13.745 -28.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 16.838 13.480 -29.505 1.00 0.00 H new ATOM 51 N LYS A 4 17.198 9.461 -24.135 1.00 0.00 N ATOM 52 CA LYS A 4 16.117 9.202 -23.191 1.00 0.00 C ATOM 53 C LYS A 4 16.372 9.913 -21.864 1.00 0.00 C ATOM 54 O LYS A 4 17.512 10.013 -21.411 1.00 0.00 O ATOM 55 CB LYS A 4 15.964 7.698 -22.958 1.00 0.00 C ATOM 56 CG LYS A 4 14.917 7.048 -23.847 1.00 0.00 C ATOM 57 CD LYS A 4 14.905 5.537 -23.681 1.00 0.00 C ATOM 58 CE LYS A 4 14.412 4.842 -24.941 1.00 0.00 C ATOM 59 NZ LYS A 4 15.324 5.072 -26.095 1.00 0.00 N ATOM 0 H LYS A 4 18.134 9.373 -23.739 1.00 0.00 H new ATOM 0 HA LYS A 4 15.193 9.591 -23.619 1.00 0.00 H new ATOM 0 HB2 LYS A 4 16.925 7.213 -23.128 1.00 0.00 H new ATOM 0 HB3 LYS A 4 15.700 7.525 -21.915 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.933 7.449 -23.605 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.116 7.299 -24.889 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.909 5.188 -23.441 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.265 5.267 -22.841 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.325 3.772 -24.755 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.414 5.204 -25.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.260 4.269 -26.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 15.048 5.946 -26.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 16.302 5.162 -25.752 1.00 0.00 H new ATOM 73 N GLU A 5 15.303 10.405 -21.248 1.00 0.00 N ATOM 74 CA GLU A 5 15.409 11.106 -19.975 1.00 0.00 C ATOM 75 C GLU A 5 15.773 10.140 -18.849 1.00 0.00 C ATOM 76 O GLU A 5 15.702 8.923 -19.017 1.00 0.00 O ATOM 77 CB GLU A 5 14.093 11.818 -19.650 1.00 0.00 C ATOM 78 CG GLU A 5 14.136 13.318 -19.898 1.00 0.00 C ATOM 79 CD GLU A 5 13.205 14.086 -18.979 1.00 0.00 C ATOM 80 OE1 GLU A 5 12.814 13.532 -17.931 1.00 0.00 O ATOM 81 OE2 GLU A 5 12.868 15.243 -19.309 1.00 0.00 O ATOM 0 H GLU A 5 14.352 10.331 -21.610 1.00 0.00 H new ATOM 0 HA GLU A 5 16.203 11.848 -20.062 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.295 11.381 -20.251 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.840 11.638 -18.605 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.156 13.677 -19.759 1.00 0.00 H new ATOM 0 HG3 GLU A 5 13.866 13.519 -20.935 1.00 0.00 H new ATOM 88 N PRO A 6 16.171 10.675 -17.681 1.00 0.00 N ATOM 89 CA PRO A 6 16.547 9.854 -16.524 1.00 0.00 C ATOM 90 C PRO A 6 15.349 9.139 -15.909 1.00 0.00 C ATOM 91 O PRO A 6 14.247 9.172 -16.456 1.00 0.00 O ATOM 92 CB PRO A 6 17.127 10.871 -15.539 1.00 0.00 C ATOM 93 CG PRO A 6 16.484 12.163 -15.906 1.00 0.00 C ATOM 94 CD PRO A 6 16.284 12.118 -17.395 1.00 0.00 C ATOM 0 HA PRO A 6 17.243 9.061 -16.796 1.00 0.00 H new ATOM 0 HB2 PRO A 6 16.903 10.596 -14.508 1.00 0.00 H new ATOM 0 HB3 PRO A 6 18.212 10.930 -15.624 1.00 0.00 H new ATOM 0 HG2 PRO A 6 15.533 12.286 -15.388 1.00 0.00 H new ATOM 0 HG3 PRO A 6 17.113 13.007 -15.622 1.00 0.00 H new ATOM 0 HD2 PRO A 6 15.387 12.659 -17.697 1.00 0.00 H new ATOM 0 HD3 PRO A 6 17.122 12.569 -17.927 1.00 0.00 H new ATOM 102 N GLU A 7 15.573 8.493 -14.769 1.00 0.00 N ATOM 103 CA GLU A 7 14.510 7.770 -14.080 1.00 0.00 C ATOM 104 C GLU A 7 14.892 7.495 -12.629 1.00 0.00 C ATOM 105 O GLU A 7 15.594 6.528 -12.335 1.00 0.00 O ATOM 106 CB GLU A 7 14.210 6.454 -14.799 1.00 0.00 C ATOM 107 CG GLU A 7 15.455 5.663 -15.164 1.00 0.00 C ATOM 108 CD GLU A 7 15.148 4.461 -16.033 1.00 0.00 C ATOM 109 OE1 GLU A 7 14.425 3.557 -15.563 1.00 0.00 O ATOM 110 OE2 GLU A 7 15.630 4.421 -17.184 1.00 0.00 O ATOM 0 H GLU A 7 16.480 8.455 -14.303 1.00 0.00 H new ATOM 0 HA GLU A 7 13.615 8.393 -14.090 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.573 5.839 -14.163 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.645 6.666 -15.707 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.155 6.315 -15.687 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.950 5.330 -14.252 1.00 0.00 H new ATOM 117 N PHE A 8 14.424 8.352 -11.726 1.00 0.00 N ATOM 118 CA PHE A 8 14.716 8.201 -10.307 1.00 0.00 C ATOM 119 C PHE A 8 13.446 7.879 -9.521 1.00 0.00 C ATOM 120 O PHE A 8 12.815 8.770 -8.954 1.00 0.00 O ATOM 121 CB PHE A 8 15.357 9.477 -9.757 1.00 0.00 C ATOM 122 CG PHE A 8 16.278 9.237 -8.596 1.00 0.00 C ATOM 123 CD1 PHE A 8 17.492 8.594 -8.781 1.00 0.00 C ATOM 124 CD2 PHE A 8 15.931 9.650 -7.321 1.00 0.00 C ATOM 125 CE1 PHE A 8 18.342 8.368 -7.714 1.00 0.00 C ATOM 126 CE2 PHE A 8 16.776 9.427 -6.251 1.00 0.00 C ATOM 127 CZ PHE A 8 17.983 8.786 -6.447 1.00 0.00 C ATOM 0 H PHE A 8 13.841 9.158 -11.953 1.00 0.00 H new ATOM 0 HA PHE A 8 15.415 7.372 -10.193 1.00 0.00 H new ATOM 0 HB2 PHE A 8 15.914 9.967 -10.556 1.00 0.00 H new ATOM 0 HB3 PHE A 8 14.570 10.165 -9.449 1.00 0.00 H new ATOM 0 HD1 PHE A 8 17.777 8.266 -9.770 1.00 0.00 H new ATOM 0 HD2 PHE A 8 14.989 10.152 -7.161 1.00 0.00 H new ATOM 0 HE1 PHE A 8 19.285 7.866 -7.871 1.00 0.00 H new ATOM 0 HE2 PHE A 8 16.492 9.754 -5.262 1.00 0.00 H new ATOM 0 HZ PHE A 8 18.645 8.612 -5.612 1.00 0.00 H new ATOM 137 N PRO A 9 13.055 6.594 -9.478 1.00 0.00 N ATOM 138 CA PRO A 9 11.854 6.158 -8.758 1.00 0.00 C ATOM 139 C PRO A 9 12.017 6.262 -7.246 1.00 0.00 C ATOM 140 O PRO A 9 13.029 6.761 -6.753 1.00 0.00 O ATOM 141 CB PRO A 9 11.697 4.695 -9.180 1.00 0.00 C ATOM 142 CG PRO A 9 13.073 4.257 -9.546 1.00 0.00 C ATOM 143 CD PRO A 9 13.751 5.467 -10.127 1.00 0.00 C ATOM 0 HA PRO A 9 10.989 6.778 -8.995 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.292 4.090 -8.369 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.013 4.597 -10.023 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.611 3.890 -8.672 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.044 3.441 -10.268 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.819 5.474 -9.907 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.649 5.503 -11.212 1.00 0.00 H new ATOM 151 N VAL A 10 11.016 5.787 -6.513 1.00 0.00 N ATOM 152 CA VAL A 10 11.047 5.827 -5.056 1.00 0.00 C ATOM 153 C VAL A 10 11.041 4.419 -4.466 1.00 0.00 C ATOM 154 O VAL A 10 10.041 3.705 -4.548 1.00 0.00 O ATOM 155 CB VAL A 10 9.854 6.624 -4.489 1.00 0.00 C ATOM 156 CG1 VAL A 10 8.536 5.964 -4.867 1.00 0.00 C ATOM 157 CG2 VAL A 10 9.974 6.768 -2.980 1.00 0.00 C ATOM 0 H VAL A 10 10.172 5.369 -6.905 1.00 0.00 H new ATOM 0 HA VAL A 10 11.972 6.329 -4.772 1.00 0.00 H new ATOM 0 HB VAL A 10 9.870 7.622 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.708 6.543 -4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.448 5.924 -5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.507 4.952 -4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.123 7.333 -2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.988 5.780 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.897 7.294 -2.737 1.00 0.00 H new ATOM 167 N GLU A 11 12.162 4.028 -3.870 1.00 0.00 N ATOM 168 CA GLU A 11 12.286 2.707 -3.266 1.00 0.00 C ATOM 169 C GLU A 11 11.820 2.730 -1.811 1.00 0.00 C ATOM 170 O GLU A 11 12.430 3.389 -0.969 1.00 0.00 O ATOM 171 CB GLU A 11 13.736 2.224 -3.340 1.00 0.00 C ATOM 172 CG GLU A 11 14.743 3.247 -2.841 1.00 0.00 C ATOM 173 CD GLU A 11 15.492 3.927 -3.971 1.00 0.00 C ATOM 174 OE1 GLU A 11 15.682 3.288 -5.026 1.00 0.00 O ATOM 175 OE2 GLU A 11 15.889 5.099 -3.800 1.00 0.00 O ATOM 0 H GLU A 11 12.998 4.607 -3.792 1.00 0.00 H new ATOM 0 HA GLU A 11 11.651 2.018 -3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.837 1.311 -2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.973 1.967 -4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.226 4.001 -2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.457 2.756 -2.180 1.00 0.00 H new ATOM 182 N PRO A 12 10.728 2.008 -1.490 1.00 0.00 N ATOM 183 CA PRO A 12 10.193 1.959 -0.125 1.00 0.00 C ATOM 184 C PRO A 12 11.150 1.277 0.847 1.00 0.00 C ATOM 185 O PRO A 12 12.126 0.649 0.435 1.00 0.00 O ATOM 186 CB PRO A 12 8.907 1.139 -0.269 1.00 0.00 C ATOM 187 CG PRO A 12 9.097 0.341 -1.511 1.00 0.00 C ATOM 188 CD PRO A 12 9.935 1.190 -2.423 1.00 0.00 C ATOM 0 HA PRO A 12 10.032 2.957 0.282 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.752 0.493 0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 12 8.033 1.786 -0.345 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.592 -0.606 -1.295 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.139 0.102 -1.972 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.571 0.582 -3.066 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.319 1.808 -3.076 1.00 0.00 H new ATOM 196 N VAL A 13 10.865 1.406 2.138 1.00 0.00 N ATOM 197 CA VAL A 13 11.700 0.803 3.169 1.00 0.00 C ATOM 198 C VAL A 13 11.655 -0.720 3.090 1.00 0.00 C ATOM 199 O VAL A 13 10.596 -1.327 3.240 1.00 0.00 O ATOM 200 CB VAL A 13 11.267 1.255 4.579 1.00 0.00 C ATOM 201 CG1 VAL A 13 9.845 0.803 4.875 1.00 0.00 C ATOM 202 CG2 VAL A 13 12.233 0.729 5.630 1.00 0.00 C ATOM 0 H VAL A 13 10.062 1.923 2.495 1.00 0.00 H new ATOM 0 HA VAL A 13 12.721 1.140 2.990 1.00 0.00 H new ATOM 0 HB VAL A 13 11.289 2.344 4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.559 1.132 5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.165 1.237 4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.790 -0.284 4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.911 1.058 6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.248 -0.360 5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.234 1.112 5.429 1.00 0.00 H new ATOM 212 N GLY A 14 12.812 -1.329 2.854 1.00 0.00 N ATOM 213 CA GLY A 14 12.883 -2.776 2.760 1.00 0.00 C ATOM 214 C GLY A 14 13.593 -3.400 3.945 1.00 0.00 C ATOM 215 O GLY A 14 13.317 -4.542 4.312 1.00 0.00 O ATOM 0 H GLY A 14 13.702 -0.847 2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.874 -3.182 2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.402 -3.052 1.842 1.00 0.00 H new ATOM 219 N GLU A 15 14.508 -2.648 4.547 1.00 0.00 N ATOM 220 CA GLU A 15 15.261 -3.134 5.698 1.00 0.00 C ATOM 221 C GLU A 15 14.346 -3.330 6.902 1.00 0.00 C ATOM 222 O GLU A 15 14.442 -4.332 7.611 1.00 0.00 O ATOM 223 CB GLU A 15 16.383 -2.155 6.050 1.00 0.00 C ATOM 224 CG GLU A 15 17.660 -2.387 5.261 1.00 0.00 C ATOM 225 CD GLU A 15 18.635 -1.231 5.379 1.00 0.00 C ATOM 226 OE1 GLU A 15 18.292 -0.116 4.932 1.00 0.00 O ATOM 227 OE2 GLU A 15 19.742 -1.441 5.918 1.00 0.00 O ATOM 0 H GLU A 15 14.746 -1.700 4.257 1.00 0.00 H new ATOM 0 HA GLU A 15 15.698 -4.097 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.035 -1.137 5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.603 -2.235 7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.140 -3.300 5.613 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.411 -2.542 4.211 1.00 0.00 H new ATOM 234 N LYS A 16 13.458 -2.367 7.128 1.00 0.00 N ATOM 235 CA LYS A 16 12.525 -2.434 8.247 1.00 0.00 C ATOM 236 C LYS A 16 11.122 -2.025 7.811 1.00 0.00 C ATOM 237 O LYS A 16 10.699 -0.891 8.030 1.00 0.00 O ATOM 238 CB LYS A 16 12.999 -1.534 9.387 1.00 0.00 C ATOM 239 CG LYS A 16 14.045 -2.183 10.280 1.00 0.00 C ATOM 240 CD LYS A 16 13.412 -2.817 11.508 1.00 0.00 C ATOM 241 CE LYS A 16 13.081 -4.282 11.271 1.00 0.00 C ATOM 242 NZ LYS A 16 13.279 -5.103 12.498 1.00 0.00 N ATOM 0 H LYS A 16 13.365 -1.531 6.551 1.00 0.00 H new ATOM 0 HA LYS A 16 12.491 -3.466 8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.411 -0.616 8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.140 -1.249 9.995 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.587 -2.942 9.716 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.775 -1.435 10.590 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.092 -2.729 12.355 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.503 -2.275 11.771 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.047 -4.371 10.938 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.709 -4.671 10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.043 -6.095 12.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.272 -5.039 12.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.661 -4.749 13.256 1.00 0.00 H new ATOM 256 N SER A 17 10.405 -2.958 7.192 1.00 0.00 N ATOM 257 CA SER A 17 9.049 -2.694 6.726 1.00 0.00 C ATOM 258 C SER A 17 8.030 -3.480 7.545 1.00 0.00 C ATOM 259 O SER A 17 8.083 -4.708 7.610 1.00 0.00 O ATOM 260 CB SER A 17 8.917 -3.054 5.244 1.00 0.00 C ATOM 261 OG SER A 17 9.874 -4.027 4.868 1.00 0.00 O ATOM 0 H SER A 17 10.740 -3.902 7.002 1.00 0.00 H new ATOM 0 HA SER A 17 8.848 -1.630 6.853 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.914 -3.431 5.046 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.046 -2.158 4.636 1.00 0.00 H new ATOM 0 HG SER A 17 9.767 -4.240 3.917 1.00 0.00 H new ATOM 267 N ASN A 18 7.102 -2.761 8.168 1.00 0.00 N ATOM 268 CA ASN A 18 6.069 -3.388 8.981 1.00 0.00 C ATOM 269 C ASN A 18 4.909 -3.865 8.114 1.00 0.00 C ATOM 270 O ASN A 18 4.879 -3.612 6.911 1.00 0.00 O ATOM 271 CB ASN A 18 5.563 -2.407 10.042 1.00 0.00 C ATOM 272 CG ASN A 18 6.136 -2.695 11.416 1.00 0.00 C ATOM 273 OD1 ASN A 18 6.635 -1.798 12.095 1.00 0.00 O ATOM 274 ND2 ASN A 18 6.066 -3.955 11.833 1.00 0.00 N ATOM 0 H ASN A 18 7.045 -1.744 8.125 1.00 0.00 H new ATOM 0 HA ASN A 18 6.506 -4.255 9.477 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.825 -1.391 9.748 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.475 -2.455 10.088 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.435 -4.210 12.749 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.644 -4.667 11.237 1.00 0.00 H new ATOM 281 N TYR A 19 3.957 -4.557 8.731 1.00 0.00 N ATOM 282 CA TYR A 19 2.797 -5.065 8.006 1.00 0.00 C ATOM 283 C TYR A 19 1.524 -4.907 8.830 1.00 0.00 C ATOM 284 O TYR A 19 1.377 -5.513 9.892 1.00 0.00 O ATOM 285 CB TYR A 19 2.990 -6.539 7.624 1.00 0.00 C ATOM 286 CG TYR A 19 4.421 -7.024 7.719 1.00 0.00 C ATOM 287 CD1 TYR A 19 5.398 -6.542 6.858 1.00 0.00 C ATOM 288 CD2 TYR A 19 4.792 -7.965 8.671 1.00 0.00 C ATOM 289 CE1 TYR A 19 6.705 -6.983 6.943 1.00 0.00 C ATOM 290 CE2 TYR A 19 6.097 -8.411 8.763 1.00 0.00 C ATOM 291 CZ TYR A 19 7.049 -7.917 7.896 1.00 0.00 C ATOM 292 OH TYR A 19 8.349 -8.358 7.984 1.00 0.00 O ATOM 0 H TYR A 19 3.965 -4.778 9.727 1.00 0.00 H new ATOM 0 HA TYR A 19 2.698 -4.477 7.094 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.366 -7.155 8.272 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.635 -6.688 6.604 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.132 -5.810 6.109 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.048 -8.355 9.351 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.453 -6.598 6.266 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.370 -9.142 9.510 1.00 0.00 H new ATOM 0 HH TYR A 19 8.424 -9.014 8.708 1.00 0.00 H new ATOM 302 N ILE A 20 0.606 -4.091 8.327 1.00 0.00 N ATOM 303 CA ILE A 20 -0.660 -3.845 9.002 1.00 0.00 C ATOM 304 C ILE A 20 -1.608 -5.030 8.826 1.00 0.00 C ATOM 305 O ILE A 20 -2.076 -5.305 7.721 1.00 0.00 O ATOM 306 CB ILE A 20 -1.333 -2.566 8.457 1.00 0.00 C ATOM 307 CG1 ILE A 20 -0.504 -1.334 8.829 1.00 0.00 C ATOM 308 CG2 ILE A 20 -2.757 -2.427 8.979 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.503 -0.939 7.771 1.00 0.00 C ATOM 0 H ILE A 20 0.717 -3.586 7.448 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.448 -3.712 10.063 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.382 -2.645 7.371 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.176 -0.495 9.010 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.021 -1.529 9.764 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.204 -1.517 8.578 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.345 -3.289 8.666 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.742 -2.374 10.068 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.053 -0.059 8.103 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.199 -1.761 7.606 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.017 -0.712 6.840 1.00 0.00 H new ATOM 321 N CYS A 21 -1.890 -5.721 9.926 1.00 0.00 N ATOM 322 CA CYS A 21 -2.788 -6.867 9.896 1.00 0.00 C ATOM 323 C CYS A 21 -4.241 -6.406 9.942 1.00 0.00 C ATOM 324 O CYS A 21 -4.610 -5.565 10.762 1.00 0.00 O ATOM 325 CB CYS A 21 -2.494 -7.805 11.070 1.00 0.00 C ATOM 326 SG CYS A 21 -1.777 -9.393 10.585 1.00 0.00 S ATOM 0 H CYS A 21 -1.509 -5.507 10.848 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.624 -7.410 8.965 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.812 -7.306 11.758 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.420 -7.988 11.616 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.562 -10.114 11.645 1.00 0.00 H new ATOM 332 N HIS A 22 -5.062 -6.960 9.056 1.00 0.00 N ATOM 333 CA HIS A 22 -6.473 -6.599 8.999 1.00 0.00 C ATOM 334 C HIS A 22 -7.265 -7.617 8.185 1.00 0.00 C ATOM 335 O HIS A 22 -7.139 -7.677 6.964 1.00 0.00 O ATOM 336 CB HIS A 22 -6.639 -5.205 8.390 1.00 0.00 C ATOM 337 CG HIS A 22 -8.034 -4.670 8.493 1.00 0.00 C ATOM 338 ND1 HIS A 22 -8.579 -3.806 7.566 1.00 0.00 N ATOM 339 CD2 HIS A 22 -8.997 -4.878 9.422 1.00 0.00 C ATOM 340 CE1 HIS A 22 -9.817 -3.508 7.920 1.00 0.00 C ATOM 341 NE2 HIS A 22 -10.095 -4.144 9.040 1.00 0.00 N ATOM 0 H HIS A 22 -4.776 -7.658 8.370 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.861 -6.594 10.017 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.957 -4.516 8.888 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.348 -5.239 7.340 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.917 -5.503 10.299 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.487 -2.854 7.382 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.982 -4.099 9.542 1.00 0.00 H new ATOM 350 N LYS A 23 -8.092 -8.402 8.874 1.00 0.00 N ATOM 351 CA LYS A 23 -8.935 -9.420 8.239 1.00 0.00 C ATOM 352 C LYS A 23 -8.306 -10.005 6.972 1.00 0.00 C ATOM 353 O LYS A 23 -8.646 -9.604 5.860 1.00 0.00 O ATOM 354 CB LYS A 23 -10.306 -8.831 7.904 1.00 0.00 C ATOM 355 CG LYS A 23 -10.255 -7.375 7.468 1.00 0.00 C ATOM 356 CD LYS A 23 -11.402 -7.031 6.537 1.00 0.00 C ATOM 357 CE LYS A 23 -12.750 -7.259 7.201 1.00 0.00 C ATOM 358 NZ LYS A 23 -13.743 -6.222 6.809 1.00 0.00 N ATOM 0 H LYS A 23 -8.198 -8.352 9.887 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.039 -10.234 8.956 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.762 -9.423 7.111 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.952 -8.917 8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.292 -6.730 8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.307 -7.177 6.967 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.320 -5.989 6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.333 -7.638 5.634 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.127 -8.245 6.928 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.627 -7.253 8.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.649 -6.412 7.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.395 -5.284 7.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.880 -6.244 5.778 1.00 0.00 H new ATOM 372 N GLY A 24 -7.400 -10.962 7.146 1.00 0.00 N ATOM 373 CA GLY A 24 -6.758 -11.595 6.006 1.00 0.00 C ATOM 374 C GLY A 24 -5.934 -10.640 5.162 1.00 0.00 C ATOM 375 O GLY A 24 -5.513 -10.994 4.061 1.00 0.00 O ATOM 0 H GLY A 24 -7.098 -11.311 8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.114 -12.399 6.363 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.522 -12.054 5.378 1.00 0.00 H new ATOM 379 N HIS A 25 -5.696 -9.431 5.664 1.00 0.00 N ATOM 380 CA HIS A 25 -4.915 -8.449 4.919 1.00 0.00 C ATOM 381 C HIS A 25 -3.703 -7.972 5.711 1.00 0.00 C ATOM 382 O HIS A 25 -3.809 -7.613 6.883 1.00 0.00 O ATOM 383 CB HIS A 25 -5.792 -7.255 4.519 1.00 0.00 C ATOM 384 CG HIS A 25 -5.949 -7.132 3.043 1.00 0.00 C ATOM 385 ND1 HIS A 25 -6.949 -6.418 2.411 1.00 0.00 N ATOM 386 CD2 HIS A 25 -5.212 -7.689 2.064 1.00 0.00 C ATOM 387 CE1 HIS A 25 -6.782 -6.574 1.087 1.00 0.00 C ATOM 388 NE2 HIS A 25 -5.738 -7.341 0.837 1.00 0.00 N ATOM 0 H HIS A 25 -6.029 -9.111 6.573 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.550 -8.939 4.017 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.775 -7.360 4.978 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.353 -6.338 4.912 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -7.680 -5.872 2.866 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.343 -8.312 2.216 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.415 -6.132 0.332 1.00 0.00 H new ATOM 396 N GLU A 26 -2.551 -7.968 5.049 1.00 0.00 N ATOM 397 CA GLU A 26 -1.305 -7.529 5.667 1.00 0.00 C ATOM 398 C GLU A 26 -0.717 -6.356 4.889 1.00 0.00 C ATOM 399 O GLU A 26 0.312 -6.489 4.227 1.00 0.00 O ATOM 400 CB GLU A 26 -0.303 -8.683 5.725 1.00 0.00 C ATOM 401 CG GLU A 26 -0.268 -9.392 7.069 1.00 0.00 C ATOM 402 CD GLU A 26 -0.014 -10.881 6.936 1.00 0.00 C ATOM 403 OE1 GLU A 26 0.936 -11.259 6.220 1.00 0.00 O ATOM 404 OE2 GLU A 26 -0.765 -11.667 7.550 1.00 0.00 O ATOM 0 H GLU A 26 -2.454 -8.266 4.078 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.517 -7.203 6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.550 -9.407 4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.692 -8.300 5.499 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.511 -8.948 7.690 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.215 -9.233 7.584 1.00 0.00 H new ATOM 411 N PHE A 27 -1.386 -5.212 4.970 1.00 0.00 N ATOM 412 CA PHE A 27 -0.940 -4.012 4.270 1.00 0.00 C ATOM 413 C PHE A 27 0.458 -3.613 4.711 1.00 0.00 C ATOM 414 O PHE A 27 0.933 -4.030 5.765 1.00 0.00 O ATOM 415 CB PHE A 27 -1.915 -2.853 4.495 1.00 0.00 C ATOM 416 CG PHE A 27 -3.360 -3.260 4.448 1.00 0.00 C ATOM 417 CD1 PHE A 27 -3.927 -3.714 3.268 1.00 0.00 C ATOM 418 CD2 PHE A 27 -4.153 -3.188 5.583 1.00 0.00 C ATOM 419 CE1 PHE A 27 -5.257 -4.087 3.221 1.00 0.00 C ATOM 420 CE2 PHE A 27 -5.483 -3.558 5.542 1.00 0.00 C ATOM 421 CZ PHE A 27 -6.036 -4.009 4.359 1.00 0.00 C ATOM 0 H PHE A 27 -2.240 -5.089 5.514 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.914 -4.241 3.205 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.707 -2.398 5.463 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.737 -2.089 3.738 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.323 -3.777 2.375 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.725 -2.838 6.511 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.687 -4.439 2.295 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.090 -3.495 6.433 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.075 -4.300 4.324 1.00 0.00 H new ATOM 431 N ILE A 28 1.122 -2.814 3.886 1.00 0.00 N ATOM 432 CA ILE A 28 2.475 -2.368 4.182 1.00 0.00 C ATOM 433 C ILE A 28 2.589 -0.853 4.060 1.00 0.00 C ATOM 434 O ILE A 28 2.152 -0.266 3.071 1.00 0.00 O ATOM 435 CB ILE A 28 3.494 -3.027 3.237 1.00 0.00 C ATOM 436 CG1 ILE A 28 3.161 -4.514 3.048 1.00 0.00 C ATOM 437 CG2 ILE A 28 4.908 -2.845 3.772 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.606 -5.395 4.195 1.00 0.00 C ATOM 0 H ILE A 28 0.744 -2.462 3.006 1.00 0.00 H new ATOM 0 HA ILE A 28 2.695 -2.664 5.208 1.00 0.00 H new ATOM 0 HB ILE A 28 3.437 -2.541 2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.084 -4.621 2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.630 -4.867 2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.618 -3.317 3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.133 -1.781 3.851 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.987 -3.306 4.756 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.335 -6.430 3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.687 -5.320 4.313 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.117 -5.071 5.114 1.00 0.00 H new ATOM 450 N PRO A 29 3.184 -0.198 5.071 1.00 0.00 N ATOM 451 CA PRO A 29 3.351 1.256 5.072 1.00 0.00 C ATOM 452 C PRO A 29 4.359 1.726 4.036 1.00 0.00 C ATOM 453 O PRO A 29 5.545 1.411 4.118 1.00 0.00 O ATOM 454 CB PRO A 29 3.859 1.555 6.483 1.00 0.00 C ATOM 455 CG PRO A 29 4.507 0.293 6.933 1.00 0.00 C ATOM 456 CD PRO A 29 3.734 -0.822 6.286 1.00 0.00 C ATOM 0 HA PRO A 29 2.424 1.770 4.819 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.567 2.384 6.480 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.041 1.837 7.146 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.555 0.265 6.636 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.481 0.207 8.019 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.376 -1.670 6.047 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.944 -1.195 6.939 1.00 0.00 H new ATOM 464 N THR A 30 3.877 2.487 3.062 1.00 0.00 N ATOM 465 CA THR A 30 4.736 3.004 2.010 1.00 0.00 C ATOM 466 C THR A 30 4.131 4.257 1.381 1.00 0.00 C ATOM 467 O THR A 30 2.948 4.544 1.562 1.00 0.00 O ATOM 468 CB THR A 30 4.962 1.940 0.936 1.00 0.00 C ATOM 469 OG1 THR A 30 5.874 2.402 -0.043 1.00 0.00 O ATOM 470 CG2 THR A 30 3.690 1.533 0.224 1.00 0.00 C ATOM 0 H THR A 30 2.897 2.758 2.980 1.00 0.00 H new ATOM 0 HA THR A 30 5.695 3.268 2.456 1.00 0.00 H new ATOM 0 HB THR A 30 5.358 1.073 1.465 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.886 1.778 -0.799 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.919 0.775 -0.526 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.983 1.126 0.947 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.251 2.404 -0.263 1.00 0.00 H new ATOM 478 N LEU A 31 4.950 4.997 0.639 1.00 0.00 N ATOM 479 CA LEU A 31 4.495 6.213 -0.019 1.00 0.00 C ATOM 480 C LEU A 31 4.465 6.028 -1.534 1.00 0.00 C ATOM 481 O LEU A 31 5.208 5.217 -2.083 1.00 0.00 O ATOM 482 CB LEU A 31 5.408 7.384 0.347 1.00 0.00 C ATOM 483 CG LEU A 31 5.590 7.621 1.847 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.600 8.730 2.091 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.258 7.959 2.501 1.00 0.00 C ATOM 0 H LEU A 31 5.932 4.774 0.480 1.00 0.00 H new ATOM 0 HA LEU A 31 3.483 6.430 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.388 7.214 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.006 8.292 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 31 5.970 6.703 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.717 8.886 3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.560 8.450 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.248 9.651 1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.408 8.124 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.849 8.862 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.562 7.133 2.356 1.00 0.00 H new ATOM 497 N TYR A 32 3.596 6.782 -2.199 1.00 0.00 N ATOM 498 CA TYR A 32 3.469 6.698 -3.649 1.00 0.00 C ATOM 499 C TYR A 32 3.553 8.080 -4.288 1.00 0.00 C ATOM 500 O TYR A 32 2.662 8.912 -4.112 1.00 0.00 O ATOM 501 CB TYR A 32 2.146 6.027 -4.025 1.00 0.00 C ATOM 502 CG TYR A 32 2.144 4.532 -3.808 1.00 0.00 C ATOM 503 CD1 TYR A 32 2.826 3.684 -4.669 1.00 0.00 C ATOM 504 CD2 TYR A 32 1.458 3.967 -2.739 1.00 0.00 C ATOM 505 CE1 TYR A 32 2.829 2.317 -4.474 1.00 0.00 C ATOM 506 CE2 TYR A 32 1.455 2.601 -2.536 1.00 0.00 C ATOM 507 CZ TYR A 32 2.142 1.780 -3.406 1.00 0.00 C ATOM 508 OH TYR A 32 2.141 0.418 -3.208 1.00 0.00 O ATOM 0 H TYR A 32 2.971 7.457 -1.758 1.00 0.00 H new ATOM 0 HA TYR A 32 4.296 6.096 -4.027 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.343 6.472 -3.438 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.928 6.234 -5.073 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.364 4.101 -5.507 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.919 4.607 -2.056 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.366 1.672 -5.154 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.918 2.178 -1.700 1.00 0.00 H new ATOM 0 HH TYR A 32 2.964 0.033 -3.576 1.00 0.00 H new ATOM 518 N HIS A 33 4.629 8.317 -5.030 1.00 0.00 N ATOM 519 CA HIS A 33 4.832 9.597 -5.700 1.00 0.00 C ATOM 520 C HIS A 33 4.060 9.659 -7.018 1.00 0.00 C ATOM 521 O HIS A 33 3.871 10.736 -7.584 1.00 0.00 O ATOM 522 CB HIS A 33 6.321 9.830 -5.959 1.00 0.00 C ATOM 523 CG HIS A 33 7.130 9.980 -4.709 1.00 0.00 C ATOM 524 ND1 HIS A 33 7.070 9.087 -3.660 1.00 0.00 N ATOM 525 CD2 HIS A 33 8.026 10.928 -4.342 1.00 0.00 C ATOM 526 CE1 HIS A 33 7.894 9.479 -2.703 1.00 0.00 C ATOM 527 NE2 HIS A 33 8.485 10.593 -3.092 1.00 0.00 N ATOM 0 H HIS A 33 5.375 7.639 -5.183 1.00 0.00 H new ATOM 0 HA HIS A 33 4.454 10.381 -5.044 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.715 8.996 -6.539 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.439 10.726 -6.568 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.324 11.787 -4.924 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.056 8.973 -1.763 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.171 11.120 -2.552 1.00 0.00 H new ATOM 536 N PHE A 34 3.619 8.502 -7.502 1.00 0.00 N ATOM 537 CA PHE A 34 2.871 8.431 -8.754 1.00 0.00 C ATOM 538 C PHE A 34 1.393 8.161 -8.487 1.00 0.00 C ATOM 539 O PHE A 34 1.001 7.868 -7.357 1.00 0.00 O ATOM 540 CB PHE A 34 3.445 7.339 -9.662 1.00 0.00 C ATOM 541 CG PHE A 34 4.944 7.238 -9.613 1.00 0.00 C ATOM 542 CD1 PHE A 34 5.567 6.412 -8.693 1.00 0.00 C ATOM 543 CD2 PHE A 34 5.729 7.969 -10.492 1.00 0.00 C ATOM 544 CE1 PHE A 34 6.945 6.317 -8.647 1.00 0.00 C ATOM 545 CE2 PHE A 34 7.107 7.878 -10.451 1.00 0.00 C ATOM 546 CZ PHE A 34 7.716 7.049 -9.527 1.00 0.00 C ATOM 0 H PHE A 34 3.766 7.601 -7.047 1.00 0.00 H new ATOM 0 HA PHE A 34 2.964 9.393 -9.257 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.016 6.379 -9.377 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.136 7.534 -10.689 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.969 5.835 -8.003 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.258 8.617 -11.217 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.418 5.670 -7.923 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.708 8.454 -11.140 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.793 6.974 -9.494 1.00 0.00 H new ATOM 556 N PRO A 35 0.550 8.257 -9.529 1.00 0.00 N ATOM 557 CA PRO A 35 -0.893 8.023 -9.405 1.00 0.00 C ATOM 558 C PRO A 35 -1.218 6.603 -8.952 1.00 0.00 C ATOM 559 O PRO A 35 -1.044 5.646 -9.708 1.00 0.00 O ATOM 560 CB PRO A 35 -1.429 8.267 -10.821 1.00 0.00 C ATOM 561 CG PRO A 35 -0.365 9.051 -11.512 1.00 0.00 C ATOM 562 CD PRO A 35 0.932 8.602 -10.908 1.00 0.00 C ATOM 0 HA PRO A 35 -1.339 8.672 -8.651 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.622 7.326 -11.336 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.370 8.816 -10.797 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.380 8.868 -12.586 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.513 10.121 -11.369 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.350 7.746 -11.438 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.684 9.390 -10.934 1.00 0.00 H new ATOM 570 N THR A 36 -1.699 6.474 -7.721 1.00 0.00 N ATOM 571 CA THR A 36 -2.060 5.175 -7.170 1.00 0.00 C ATOM 572 C THR A 36 -3.539 5.161 -6.789 1.00 0.00 C ATOM 573 O THR A 36 -3.997 5.990 -6.005 1.00 0.00 O ATOM 574 CB THR A 36 -1.178 4.852 -5.957 1.00 0.00 C ATOM 575 OG1 THR A 36 0.099 4.406 -6.376 1.00 0.00 O ATOM 576 CG2 THR A 36 -1.752 3.788 -5.045 1.00 0.00 C ATOM 0 H THR A 36 -1.848 7.257 -7.084 1.00 0.00 H new ATOM 0 HA THR A 36 -1.894 4.407 -7.926 1.00 0.00 H new ATOM 0 HB THR A 36 -1.118 5.785 -5.397 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.709 4.394 -5.609 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.070 3.616 -4.212 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.717 4.119 -4.662 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.882 2.861 -5.604 1.00 0.00 H new ATOM 584 N ASN A 37 -4.284 4.221 -7.360 1.00 0.00 N ATOM 585 CA ASN A 37 -5.713 4.110 -7.086 1.00 0.00 C ATOM 586 C ASN A 37 -5.974 3.265 -5.844 1.00 0.00 C ATOM 587 O ASN A 37 -5.719 2.060 -5.834 1.00 0.00 O ATOM 588 CB ASN A 37 -6.435 3.504 -8.291 1.00 0.00 C ATOM 589 CG ASN A 37 -6.114 4.232 -9.583 1.00 0.00 C ATOM 590 OD1 ASN A 37 -5.207 5.061 -9.633 1.00 0.00 O ATOM 591 ND2 ASN A 37 -6.863 3.924 -10.637 1.00 0.00 N ATOM 0 H ASN A 37 -3.924 3.526 -8.014 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.099 5.113 -6.902 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.155 2.455 -8.389 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.511 3.532 -8.119 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.696 4.382 -11.533 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.605 3.230 -10.550 1.00 0.00 H new ATOM 598 N CYS A 38 -6.496 3.904 -4.800 1.00 0.00 N ATOM 599 CA CYS A 38 -6.805 3.211 -3.555 1.00 0.00 C ATOM 600 C CYS A 38 -7.898 2.167 -3.791 1.00 0.00 C ATOM 601 O CYS A 38 -8.728 2.318 -4.688 1.00 0.00 O ATOM 602 CB CYS A 38 -7.219 4.228 -2.476 1.00 0.00 C ATOM 603 SG CYS A 38 -8.841 3.921 -1.691 1.00 0.00 S ATOM 0 H CYS A 38 -6.713 4.901 -4.793 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.916 2.689 -3.201 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.455 4.239 -1.699 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.233 5.222 -2.924 1.00 0.00 H new ATOM 608 N GLU A 39 -7.886 1.106 -2.992 1.00 0.00 N ATOM 609 CA GLU A 39 -8.870 0.036 -3.126 1.00 0.00 C ATOM 610 C GLU A 39 -10.125 0.320 -2.304 1.00 0.00 C ATOM 611 O GLU A 39 -11.218 -0.127 -2.651 1.00 0.00 O ATOM 612 CB GLU A 39 -8.256 -1.301 -2.698 1.00 0.00 C ATOM 613 CG GLU A 39 -8.144 -2.308 -3.831 1.00 0.00 C ATOM 614 CD GLU A 39 -9.494 -2.715 -4.385 1.00 0.00 C ATOM 615 OE1 GLU A 39 -10.021 -1.991 -5.256 1.00 0.00 O ATOM 616 OE2 GLU A 39 -10.027 -3.756 -3.948 1.00 0.00 O ATOM 0 H GLU A 39 -7.207 0.963 -2.245 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.162 -0.017 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.264 -1.120 -2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.861 -1.730 -1.900 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.540 -1.882 -4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.620 -3.194 -3.474 1.00 0.00 H new ATOM 623 N ALA A 40 -9.963 1.055 -1.209 1.00 0.00 N ATOM 624 CA ALA A 40 -11.086 1.383 -0.339 1.00 0.00 C ATOM 625 C ALA A 40 -12.073 2.329 -1.029 1.00 0.00 C ATOM 626 O ALA A 40 -13.008 1.880 -1.691 1.00 0.00 O ATOM 627 CB ALA A 40 -10.582 1.980 0.969 1.00 0.00 C ATOM 0 H ALA A 40 -9.067 1.434 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.623 0.461 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.430 2.221 1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.939 1.259 1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.016 2.888 0.760 1.00 0.00 H new ATOM 633 N CYS A 41 -11.867 3.635 -0.869 1.00 0.00 N ATOM 634 CA CYS A 41 -12.748 4.626 -1.477 1.00 0.00 C ATOM 635 C CYS A 41 -12.406 4.840 -2.948 1.00 0.00 C ATOM 636 O CYS A 41 -11.548 4.153 -3.504 1.00 0.00 O ATOM 637 CB CYS A 41 -12.664 5.955 -0.715 1.00 0.00 C ATOM 638 SG CYS A 41 -11.139 6.913 -1.022 1.00 0.00 S ATOM 0 H CYS A 41 -11.100 4.029 -0.325 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.769 4.248 -1.418 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.523 6.569 -0.985 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.741 5.752 0.353 1.00 0.00 H new ATOM 643 N MET A 42 -13.084 5.798 -3.571 1.00 0.00 N ATOM 644 CA MET A 42 -12.856 6.109 -4.978 1.00 0.00 C ATOM 645 C MET A 42 -11.831 7.230 -5.130 1.00 0.00 C ATOM 646 O MET A 42 -11.190 7.358 -6.174 1.00 0.00 O ATOM 647 CB MET A 42 -14.170 6.509 -5.651 1.00 0.00 C ATOM 648 CG MET A 42 -15.271 5.472 -5.497 1.00 0.00 C ATOM 649 SD MET A 42 -15.441 4.417 -6.949 1.00 0.00 S ATOM 650 CE MET A 42 -15.497 2.797 -6.186 1.00 0.00 C ATOM 0 H MET A 42 -13.797 6.374 -3.123 1.00 0.00 H new ATOM 0 HA MET A 42 -12.463 5.215 -5.463 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.511 7.455 -5.230 1.00 0.00 H new ATOM 0 HB3 MET A 42 -13.988 6.679 -6.712 1.00 0.00 H new ATOM 0 HG2 MET A 42 -15.061 4.852 -4.625 1.00 0.00 H new ATOM 0 HG3 MET A 42 -16.218 5.978 -5.308 1.00 0.00 H new ATOM 0 HE1 MET A 42 -15.601 2.035 -6.958 1.00 0.00 H new ATOM 0 HE2 MET A 42 -14.576 2.626 -5.628 1.00 0.00 H new ATOM 0 HE3 MET A 42 -16.348 2.744 -5.507 1.00 0.00 H new ATOM 660 N LYS A 43 -11.681 8.041 -4.085 1.00 0.00 N ATOM 661 CA LYS A 43 -10.733 9.151 -4.104 1.00 0.00 C ATOM 662 C LYS A 43 -9.343 8.679 -4.527 1.00 0.00 C ATOM 663 O LYS A 43 -8.953 7.545 -4.249 1.00 0.00 O ATOM 664 CB LYS A 43 -10.666 9.814 -2.725 1.00 0.00 C ATOM 665 CG LYS A 43 -10.906 11.315 -2.757 1.00 0.00 C ATOM 666 CD LYS A 43 -9.725 12.084 -2.186 1.00 0.00 C ATOM 667 CE LYS A 43 -10.182 13.263 -1.341 1.00 0.00 C ATOM 668 NZ LYS A 43 -9.991 14.559 -2.047 1.00 0.00 N ATOM 0 H LYS A 43 -12.204 7.950 -3.214 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.082 9.881 -4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.406 9.350 -2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.687 9.621 -2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.086 11.633 -3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.805 11.552 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.114 11.416 -1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.095 12.442 -3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.235 13.140 -1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.626 13.275 -0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.315 15.337 -1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.983 14.689 -2.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.542 14.558 -2.929 1.00 0.00 H new ATOM 682 N PRO A 44 -8.575 9.546 -5.210 1.00 0.00 N ATOM 683 CA PRO A 44 -7.226 9.210 -5.673 1.00 0.00 C ATOM 684 C PRO A 44 -6.226 9.112 -4.525 1.00 0.00 C ATOM 685 O PRO A 44 -6.355 9.799 -3.513 1.00 0.00 O ATOM 686 CB PRO A 44 -6.866 10.376 -6.596 1.00 0.00 C ATOM 687 CG PRO A 44 -7.683 11.517 -6.100 1.00 0.00 C ATOM 688 CD PRO A 44 -8.965 10.919 -5.587 1.00 0.00 C ATOM 0 HA PRO A 44 -7.195 8.236 -6.162 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.801 10.603 -6.551 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -7.099 10.145 -7.635 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.161 12.056 -5.310 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.879 12.233 -6.899 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.355 11.475 -4.734 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.743 10.920 -6.351 1.00 0.00 H new ATOM 696 N LEU A 45 -5.227 8.252 -4.693 1.00 0.00 N ATOM 697 CA LEU A 45 -4.199 8.061 -3.675 1.00 0.00 C ATOM 698 C LEU A 45 -2.806 8.289 -4.261 1.00 0.00 C ATOM 699 O LEU A 45 -2.292 7.450 -4.997 1.00 0.00 O ATOM 700 CB LEU A 45 -4.292 6.653 -3.084 1.00 0.00 C ATOM 701 CG LEU A 45 -3.503 6.440 -1.790 1.00 0.00 C ATOM 702 CD1 LEU A 45 -3.928 5.149 -1.112 1.00 0.00 C ATOM 703 CD2 LEU A 45 -2.011 6.425 -2.073 1.00 0.00 C ATOM 0 H LEU A 45 -5.107 7.675 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.366 8.791 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.341 6.424 -2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.939 5.939 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.718 7.269 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.356 5.015 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.991 5.196 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.743 4.309 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.466 6.273 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.780 5.615 -2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.715 7.376 -2.515 1.00 0.00 H new ATOM 715 N TRP A 46 -2.203 9.430 -3.930 1.00 0.00 N ATOM 716 CA TRP A 46 -0.865 9.767 -4.423 1.00 0.00 C ATOM 717 C TRP A 46 -0.521 11.224 -4.125 1.00 0.00 C ATOM 718 O TRP A 46 -1.309 11.949 -3.518 1.00 0.00 O ATOM 719 CB TRP A 46 -0.755 9.514 -5.929 1.00 0.00 C ATOM 720 CG TRP A 46 -1.883 10.105 -6.717 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.062 9.500 -7.044 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.938 11.422 -7.279 1.00 0.00 C ATOM 723 NE1 TRP A 46 -3.846 10.358 -7.777 1.00 0.00 N ATOM 724 CE2 TRP A 46 -3.179 11.544 -7.933 1.00 0.00 C ATOM 725 CE3 TRP A 46 -1.059 12.509 -7.292 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -3.561 12.710 -8.593 1.00 0.00 C ATOM 727 CZ3 TRP A 46 -1.440 13.665 -7.947 1.00 0.00 C ATOM 728 CH2 TRP A 46 -2.682 13.758 -8.589 1.00 0.00 C ATOM 0 H TRP A 46 -2.618 10.137 -3.323 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.156 9.123 -3.903 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.186 9.927 -6.291 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.721 8.439 -6.108 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.338 8.493 -6.767 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.773 10.146 -8.145 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.100 12.447 -6.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.517 12.784 -9.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -0.769 14.511 -7.964 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.951 14.676 -9.091 1.00 0.00 H new ATOM 739 N HIS A 47 0.662 11.642 -4.564 1.00 0.00 N ATOM 740 CA HIS A 47 1.121 13.010 -4.354 1.00 0.00 C ATOM 741 C HIS A 47 2.495 13.219 -4.984 1.00 0.00 C ATOM 742 O HIS A 47 3.211 12.258 -5.266 1.00 0.00 O ATOM 743 CB HIS A 47 1.173 13.334 -2.859 1.00 0.00 C ATOM 744 CG HIS A 47 0.367 14.537 -2.479 1.00 0.00 C ATOM 745 ND1 HIS A 47 -0.778 14.464 -1.713 1.00 0.00 N ATOM 746 CD2 HIS A 47 0.545 15.849 -2.762 1.00 0.00 C ATOM 747 CE1 HIS A 47 -1.269 15.680 -1.545 1.00 0.00 C ATOM 748 NE2 HIS A 47 -0.484 16.538 -2.169 1.00 0.00 N ATOM 0 H HIS A 47 1.322 11.050 -5.069 1.00 0.00 H new ATOM 0 HA HIS A 47 0.412 13.684 -4.834 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.813 12.473 -2.296 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.211 13.495 -2.566 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.348 16.275 -3.346 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.162 15.929 -0.991 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.620 17.548 -2.205 1.00 0.00 H new ATOM 757 N MET A 48 2.860 14.478 -5.206 1.00 0.00 N ATOM 758 CA MET A 48 4.150 14.804 -5.806 1.00 0.00 C ATOM 759 C MET A 48 5.068 15.485 -4.800 1.00 0.00 C ATOM 760 O MET A 48 6.217 15.081 -4.620 1.00 0.00 O ATOM 761 CB MET A 48 3.964 15.706 -7.031 1.00 0.00 C ATOM 762 CG MET A 48 2.815 16.694 -6.901 1.00 0.00 C ATOM 763 SD MET A 48 2.490 17.582 -8.436 1.00 0.00 S ATOM 764 CE MET A 48 1.044 16.705 -9.029 1.00 0.00 C ATOM 0 H MET A 48 2.282 15.288 -4.980 1.00 0.00 H new ATOM 0 HA MET A 48 4.613 13.869 -6.120 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.887 16.259 -7.206 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.795 15.081 -7.908 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.915 16.161 -6.596 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.044 17.411 -6.112 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.719 17.137 -9.975 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.291 15.654 -9.176 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.241 16.790 -8.297 1.00 0.00 H new ATOM 774 N PHE A 49 4.560 16.526 -4.152 1.00 0.00 N ATOM 775 CA PHE A 49 5.342 17.267 -3.171 1.00 0.00 C ATOM 776 C PHE A 49 5.478 16.483 -1.869 1.00 0.00 C ATOM 777 O PHE A 49 6.588 16.219 -1.407 1.00 0.00 O ATOM 778 CB PHE A 49 4.699 18.626 -2.897 1.00 0.00 C ATOM 779 CG PHE A 49 4.832 19.593 -4.039 1.00 0.00 C ATOM 780 CD1 PHE A 49 5.937 20.423 -4.138 1.00 0.00 C ATOM 781 CD2 PHE A 49 3.851 19.671 -5.016 1.00 0.00 C ATOM 782 CE1 PHE A 49 6.061 21.313 -5.187 1.00 0.00 C ATOM 783 CE2 PHE A 49 3.970 20.559 -6.067 1.00 0.00 C ATOM 784 CZ PHE A 49 5.076 21.381 -6.153 1.00 0.00 C ATOM 0 H PHE A 49 3.611 16.876 -4.288 1.00 0.00 H new ATOM 0 HA PHE A 49 6.339 17.420 -3.584 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.642 18.481 -2.676 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.154 19.062 -2.007 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.711 20.373 -3.386 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.984 19.030 -4.954 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.927 21.955 -5.252 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.199 20.610 -6.821 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.171 22.076 -6.974 1.00 0.00 H new ATOM 794 N LYS A 50 4.345 16.119 -1.277 1.00 0.00 N ATOM 795 CA LYS A 50 4.346 15.371 -0.026 1.00 0.00 C ATOM 796 C LYS A 50 3.427 14.156 -0.109 1.00 0.00 C ATOM 797 O LYS A 50 2.228 14.256 0.152 1.00 0.00 O ATOM 798 CB LYS A 50 3.909 16.274 1.130 1.00 0.00 C ATOM 799 CG LYS A 50 4.863 17.428 1.395 1.00 0.00 C ATOM 800 CD LYS A 50 6.197 16.934 1.933 1.00 0.00 C ATOM 801 CE LYS A 50 7.364 17.702 1.329 1.00 0.00 C ATOM 802 NZ LYS A 50 8.413 16.790 0.796 1.00 0.00 N ATOM 0 H LYS A 50 3.416 16.330 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 50 5.362 15.020 0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.919 16.675 0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.818 15.673 2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.025 17.987 0.473 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.413 18.117 2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.214 17.039 3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.307 15.872 1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.000 18.344 0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.800 18.354 2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.282 17.330 0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.610 16.043 1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.080 16.359 -0.090 1.00 0.00 H new ATOM 816 N PRO A 51 3.978 12.982 -0.471 1.00 0.00 N ATOM 817 CA PRO A 51 3.198 11.745 -0.581 1.00 0.00 C ATOM 818 C PRO A 51 2.685 11.264 0.774 1.00 0.00 C ATOM 819 O PRO A 51 3.463 11.082 1.710 1.00 0.00 O ATOM 820 CB PRO A 51 4.198 10.740 -1.162 1.00 0.00 C ATOM 821 CG PRO A 51 5.536 11.273 -0.784 1.00 0.00 C ATOM 822 CD PRO A 51 5.401 12.769 -0.797 1.00 0.00 C ATOM 0 HA PRO A 51 2.307 11.879 -1.194 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.039 9.742 -0.752 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.095 10.660 -2.244 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.834 10.916 0.202 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.301 10.944 -1.487 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.057 13.239 -0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.658 13.188 -1.770 1.00 0.00 H new ATOM 830 N PRO A 52 1.363 11.052 0.900 1.00 0.00 N ATOM 831 CA PRO A 52 0.753 10.591 2.151 1.00 0.00 C ATOM 832 C PRO A 52 1.095 9.136 2.462 1.00 0.00 C ATOM 833 O PRO A 52 1.408 8.358 1.562 1.00 0.00 O ATOM 834 CB PRO A 52 -0.746 10.744 1.892 1.00 0.00 C ATOM 835 CG PRO A 52 -0.888 10.642 0.412 1.00 0.00 C ATOM 836 CD PRO A 52 0.361 11.245 -0.166 1.00 0.00 C ATOM 0 HA PRO A 52 1.111 11.157 3.011 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.317 9.966 2.399 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.116 11.701 2.260 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.000 9.603 0.101 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.774 11.175 0.067 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.657 10.747 -1.089 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.225 12.300 -0.402 1.00 0.00 H new ATOM 844 N PRO A 53 1.037 8.751 3.749 1.00 0.00 N ATOM 845 CA PRO A 53 1.341 7.380 4.177 1.00 0.00 C ATOM 846 C PRO A 53 0.320 6.374 3.659 1.00 0.00 C ATOM 847 O PRO A 53 -0.727 6.170 4.267 1.00 0.00 O ATOM 848 CB PRO A 53 1.285 7.458 5.705 1.00 0.00 C ATOM 849 CG PRO A 53 0.422 8.636 5.997 1.00 0.00 C ATOM 850 CD PRO A 53 0.671 9.616 4.885 1.00 0.00 C ATOM 0 HA PRO A 53 2.302 7.039 3.791 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.867 6.546 6.132 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.281 7.582 6.131 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.629 8.350 6.037 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.671 9.072 6.965 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.215 10.212 4.668 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.471 10.313 5.134 1.00 0.00 H new ATOM 858 N ALA A 54 0.637 5.747 2.530 1.00 0.00 N ATOM 859 CA ALA A 54 -0.250 4.761 1.928 1.00 0.00 C ATOM 860 C ALA A 54 0.087 3.355 2.406 1.00 0.00 C ATOM 861 O ALA A 54 1.179 3.107 2.917 1.00 0.00 O ATOM 862 CB ALA A 54 -0.170 4.837 0.410 1.00 0.00 C ATOM 0 H ALA A 54 1.503 5.905 2.014 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.269 4.988 2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.838 4.095 -0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.467 5.832 0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.853 4.639 0.089 1.00 0.00 H new ATOM 868 N LEU A 55 -0.858 2.437 2.239 1.00 0.00 N ATOM 869 CA LEU A 55 -0.660 1.052 2.654 1.00 0.00 C ATOM 870 C LEU A 55 -0.841 0.104 1.476 1.00 0.00 C ATOM 871 O LEU A 55 -1.917 0.037 0.882 1.00 0.00 O ATOM 872 CB LEU A 55 -1.634 0.689 3.776 1.00 0.00 C ATOM 873 CG LEU A 55 -1.665 1.667 4.952 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.585 1.150 6.050 1.00 0.00 C ATOM 875 CD2 LEU A 55 -0.260 1.892 5.495 1.00 0.00 C ATOM 0 H LEU A 55 -1.768 2.626 1.820 1.00 0.00 H new ATOM 0 HA LEU A 55 0.360 0.950 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.637 0.619 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.376 -0.301 4.154 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.054 2.621 4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.596 1.858 6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.595 1.038 5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.224 0.184 6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.301 2.590 6.331 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.155 0.943 5.835 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.372 2.304 4.709 1.00 0.00 H new ATOM 887 N GLU A 56 0.220 -0.623 1.137 1.00 0.00 N ATOM 888 CA GLU A 56 0.181 -1.561 0.020 1.00 0.00 C ATOM 889 C GLU A 56 0.112 -3.005 0.509 1.00 0.00 C ATOM 890 O GLU A 56 0.835 -3.399 1.422 1.00 0.00 O ATOM 891 CB GLU A 56 1.413 -1.378 -0.867 1.00 0.00 C ATOM 892 CG GLU A 56 1.328 -2.125 -2.187 1.00 0.00 C ATOM 893 CD GLU A 56 2.673 -2.652 -2.648 1.00 0.00 C ATOM 894 OE1 GLU A 56 3.079 -3.736 -2.177 1.00 0.00 O ATOM 895 OE2 GLU A 56 3.320 -1.981 -3.479 1.00 0.00 O ATOM 0 H GLU A 56 1.117 -0.580 1.620 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.719 -1.351 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.551 -0.316 -1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.295 -1.716 -0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.632 -2.957 -2.085 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.921 -1.461 -2.950 1.00 0.00 H new ATOM 902 N CYS A 57 -0.757 -3.794 -0.117 1.00 0.00 N ATOM 903 CA CYS A 57 -0.913 -5.198 0.245 1.00 0.00 C ATOM 904 C CYS A 57 0.248 -6.020 -0.299 1.00 0.00 C ATOM 905 O CYS A 57 0.649 -5.858 -1.450 1.00 0.00 O ATOM 906 CB CYS A 57 -2.231 -5.750 -0.299 1.00 0.00 C ATOM 907 SG CYS A 57 -2.584 -7.464 0.195 1.00 0.00 S ATOM 0 H CYS A 57 -1.363 -3.484 -0.877 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.921 -5.268 1.333 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.047 -5.111 0.040 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.213 -5.694 -1.387 1.00 0.00 H new ATOM 912 N ARG A 58 0.781 -6.903 0.535 1.00 0.00 N ATOM 913 CA ARG A 58 1.892 -7.752 0.129 1.00 0.00 C ATOM 914 C ARG A 58 1.387 -9.119 -0.329 1.00 0.00 C ATOM 915 O ARG A 58 2.087 -10.123 -0.207 1.00 0.00 O ATOM 916 CB ARG A 58 2.891 -7.904 1.279 1.00 0.00 C ATOM 917 CG ARG A 58 2.333 -8.653 2.479 1.00 0.00 C ATOM 918 CD ARG A 58 3.399 -8.886 3.538 1.00 0.00 C ATOM 919 NE ARG A 58 3.582 -10.308 3.822 1.00 0.00 N ATOM 920 CZ ARG A 58 4.686 -10.820 4.363 1.00 0.00 C ATOM 921 NH1 ARG A 58 5.706 -10.034 4.683 1.00 0.00 N ATOM 922 NH2 ARG A 58 4.769 -12.125 4.585 1.00 0.00 N ATOM 0 H ARG A 58 0.463 -7.049 1.493 1.00 0.00 H new ATOM 0 HA ARG A 58 2.400 -7.279 -0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.775 -8.428 0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.216 -6.914 1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.508 -8.087 2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.926 -9.611 2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.344 -8.458 3.203 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.121 -8.365 4.454 1.00 0.00 H new ATOM 0 HE ARG A 58 2.820 -10.946 3.592 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.648 -9.030 4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.548 -10.434 5.097 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.988 -12.734 4.341 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.614 -12.519 4.999 1.00 0.00 H new ATOM 936 N ARG A 59 0.165 -9.144 -0.861 1.00 0.00 N ATOM 937 CA ARG A 59 -0.442 -10.381 -1.343 1.00 0.00 C ATOM 938 C ARG A 59 -1.116 -10.166 -2.700 1.00 0.00 C ATOM 939 O ARG A 59 -0.611 -10.611 -3.728 1.00 0.00 O ATOM 940 CB ARG A 59 -1.463 -10.927 -0.331 1.00 0.00 C ATOM 941 CG ARG A 59 -1.380 -10.300 1.054 1.00 0.00 C ATOM 942 CD ARG A 59 -0.283 -10.923 1.890 1.00 0.00 C ATOM 943 NE ARG A 59 -0.502 -12.352 2.120 1.00 0.00 N ATOM 944 CZ ARG A 59 0.034 -13.318 1.374 1.00 0.00 C ATOM 945 NH1 ARG A 59 0.810 -13.021 0.340 1.00 0.00 N ATOM 946 NH2 ARG A 59 -0.210 -14.588 1.665 1.00 0.00 N ATOM 0 H ARG A 59 -0.424 -8.318 -0.968 1.00 0.00 H new ATOM 0 HA ARG A 59 0.356 -11.114 -1.461 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.466 -10.771 -0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.322 -12.004 -0.237 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.200 -9.229 0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.336 -10.418 1.564 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.676 -10.780 1.391 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.223 -10.408 2.849 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.101 -12.625 2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.001 -12.046 0.109 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.215 -13.768 -0.225 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.807 -14.824 2.458 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.199 -15.329 1.096 1.00 0.00 H new ATOM 960 N CYS A 60 -2.260 -9.479 -2.693 1.00 0.00 N ATOM 961 CA CYS A 60 -2.998 -9.211 -3.927 1.00 0.00 C ATOM 962 C CYS A 60 -2.552 -7.898 -4.573 1.00 0.00 C ATOM 963 O CYS A 60 -2.992 -7.560 -5.673 1.00 0.00 O ATOM 964 CB CYS A 60 -4.506 -9.174 -3.653 1.00 0.00 C ATOM 965 SG CYS A 60 -5.074 -7.700 -2.744 1.00 0.00 S ATOM 0 H CYS A 60 -2.693 -9.100 -1.851 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.781 -10.022 -4.623 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.036 -9.225 -4.604 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.781 -10.063 -3.086 1.00 0.00 H new ATOM 970 N HIS A 61 -1.677 -7.162 -3.890 1.00 0.00 N ATOM 971 CA HIS A 61 -1.172 -5.892 -4.403 1.00 0.00 C ATOM 972 C HIS A 61 -2.281 -4.846 -4.498 1.00 0.00 C ATOM 973 O HIS A 61 -2.930 -4.703 -5.534 1.00 0.00 O ATOM 974 CB HIS A 61 -0.522 -6.091 -5.777 1.00 0.00 C ATOM 975 CG HIS A 61 0.960 -6.296 -5.712 1.00 0.00 C ATOM 976 ND1 HIS A 61 1.851 -5.605 -6.506 1.00 0.00 N ATOM 977 CD2 HIS A 61 1.707 -7.122 -4.941 1.00 0.00 C ATOM 978 CE1 HIS A 61 3.082 -5.997 -6.226 1.00 0.00 C ATOM 979 NE2 HIS A 61 3.022 -6.916 -5.281 1.00 0.00 N ATOM 0 H HIS A 61 -1.303 -7.425 -2.978 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.422 -5.528 -3.701 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.979 -6.952 -6.265 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.734 -5.222 -6.400 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.338 -7.813 -4.198 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.984 -5.628 -6.692 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.823 -7.396 -4.870 1.00 0.00 H new ATOM 988 N ILE A 62 -2.480 -4.108 -3.410 1.00 0.00 N ATOM 989 CA ILE A 62 -3.493 -3.057 -3.359 1.00 0.00 C ATOM 990 C ILE A 62 -3.047 -1.944 -2.425 1.00 0.00 C ATOM 991 O ILE A 62 -2.503 -2.206 -1.353 1.00 0.00 O ATOM 992 CB ILE A 62 -4.860 -3.593 -2.886 1.00 0.00 C ATOM 993 CG1 ILE A 62 -4.756 -4.173 -1.472 1.00 0.00 C ATOM 994 CG2 ILE A 62 -5.382 -4.638 -3.854 1.00 0.00 C ATOM 995 CD1 ILE A 62 -5.875 -3.729 -0.556 1.00 0.00 C ATOM 0 H ILE A 62 -1.949 -4.219 -2.546 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.608 -2.674 -4.373 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.564 -2.762 -2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.757 -5.261 -1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.801 -3.879 -1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.347 -5.006 -3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.498 -4.193 -4.842 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.676 -5.467 -3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.739 -4.177 0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.862 -2.643 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.832 -4.047 -0.970 1.00 0.00 H new ATOM 1007 N LYS A 63 -3.264 -0.699 -2.829 1.00 0.00 N ATOM 1008 CA LYS A 63 -2.859 0.431 -2.005 1.00 0.00 C ATOM 1009 C LYS A 63 -4.053 1.088 -1.328 1.00 0.00 C ATOM 1010 O LYS A 63 -5.154 1.125 -1.876 1.00 0.00 O ATOM 1011 CB LYS A 63 -2.101 1.463 -2.838 1.00 0.00 C ATOM 1012 CG LYS A 63 -1.172 0.850 -3.874 1.00 0.00 C ATOM 1013 CD LYS A 63 -1.821 0.806 -5.250 1.00 0.00 C ATOM 1014 CE LYS A 63 -1.938 -0.618 -5.770 1.00 0.00 C ATOM 1015 NZ LYS A 63 -1.585 -0.714 -7.212 1.00 0.00 N ATOM 0 H LYS A 63 -3.712 -0.448 -3.710 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.199 0.045 -1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.820 2.107 -3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.518 2.098 -2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.249 1.428 -3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.899 -0.160 -3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.812 1.258 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.234 1.402 -5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.283 -1.270 -5.192 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.957 -0.976 -5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.678 -1.701 -7.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.226 -0.112 -7.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.604 -0.397 -7.351 1.00 0.00 H new ATOM 1029 N CYS A 64 -3.819 1.610 -0.128 1.00 0.00 N ATOM 1030 CA CYS A 64 -4.860 2.276 0.644 1.00 0.00 C ATOM 1031 C CYS A 64 -4.241 3.218 1.672 1.00 0.00 C ATOM 1032 O CYS A 64 -3.413 2.801 2.483 1.00 0.00 O ATOM 1033 CB CYS A 64 -5.739 1.245 1.350 1.00 0.00 C ATOM 1034 SG CYS A 64 -6.959 0.446 0.283 1.00 0.00 S ATOM 0 H CYS A 64 -2.910 1.583 0.333 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.476 2.858 -0.042 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -5.099 0.478 1.787 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.259 1.733 2.174 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.418 0.175 -0.867 1.00 0.00 H new ATOM 1040 N HIS A 65 -4.639 4.486 1.635 1.00 0.00 N ATOM 1041 CA HIS A 65 -4.108 5.482 2.571 1.00 0.00 C ATOM 1042 C HIS A 65 -4.126 4.950 3.991 1.00 0.00 C ATOM 1043 O HIS A 65 -5.108 4.353 4.430 1.00 0.00 O ATOM 1044 CB HIS A 65 -4.896 6.807 2.544 1.00 0.00 C ATOM 1045 CG HIS A 65 -5.890 6.926 1.435 1.00 0.00 C ATOM 1046 ND1 HIS A 65 -5.818 7.820 0.387 1.00 0.00 N ATOM 1047 CD2 HIS A 65 -7.013 6.223 1.246 1.00 0.00 C ATOM 1048 CE1 HIS A 65 -6.901 7.621 -0.390 1.00 0.00 C ATOM 1049 NE2 HIS A 65 -7.656 6.654 0.099 1.00 0.00 N ATOM 0 H HIS A 65 -5.323 4.851 0.972 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.086 5.679 2.247 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.418 6.922 3.494 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.188 7.632 2.468 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.080 8.506 0.229 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.366 5.434 1.894 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.121 8.176 -1.290 1.00 0.00 H new ATOM 1057 N LYS A 66 -3.050 5.206 4.718 1.00 0.00 N ATOM 1058 CA LYS A 66 -2.959 4.790 6.104 1.00 0.00 C ATOM 1059 C LYS A 66 -4.200 5.267 6.852 1.00 0.00 C ATOM 1060 O LYS A 66 -4.655 4.633 7.804 1.00 0.00 O ATOM 1061 CB LYS A 66 -1.691 5.355 6.747 1.00 0.00 C ATOM 1062 CG LYS A 66 -1.587 5.083 8.239 1.00 0.00 C ATOM 1063 CD LYS A 66 -0.338 4.281 8.575 1.00 0.00 C ATOM 1064 CE LYS A 66 -0.624 3.211 9.617 1.00 0.00 C ATOM 1065 NZ LYS A 66 -0.062 3.567 10.948 1.00 0.00 N ATOM 0 H LYS A 66 -2.229 5.700 4.369 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.906 3.702 6.155 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.821 4.929 6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.659 6.432 6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.570 6.028 8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.471 4.539 8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.050 3.814 7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.437 4.952 8.945 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.701 3.068 9.704 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.202 2.261 9.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.279 2.812 11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.969 3.678 10.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.483 4.460 11.275 1.00 0.00 H new ATOM 1079 N ASP A 67 -4.737 6.401 6.401 1.00 0.00 N ATOM 1080 CA ASP A 67 -5.925 6.992 7.004 1.00 0.00 C ATOM 1081 C ASP A 67 -7.067 5.980 7.116 1.00 0.00 C ATOM 1082 O ASP A 67 -7.712 5.886 8.160 1.00 0.00 O ATOM 1083 CB ASP A 67 -6.381 8.204 6.190 1.00 0.00 C ATOM 1084 CG ASP A 67 -5.929 9.514 6.805 1.00 0.00 C ATOM 1085 OD1 ASP A 67 -6.309 9.789 7.963 1.00 0.00 O ATOM 1086 OD2 ASP A 67 -5.193 10.264 6.129 1.00 0.00 O ATOM 0 H ASP A 67 -4.362 6.930 5.614 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.660 7.309 8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.988 8.127 5.176 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.468 8.198 6.112 1.00 0.00 H new ATOM 1091 N HIS A 68 -7.325 5.225 6.045 1.00 0.00 N ATOM 1092 CA HIS A 68 -8.413 4.237 6.076 1.00 0.00 C ATOM 1093 C HIS A 68 -8.239 3.273 7.247 1.00 0.00 C ATOM 1094 O HIS A 68 -9.200 2.949 7.946 1.00 0.00 O ATOM 1095 CB HIS A 68 -8.501 3.443 4.769 1.00 0.00 C ATOM 1096 CG HIS A 68 -9.112 4.215 3.640 1.00 0.00 C ATOM 1097 ND1 HIS A 68 -10.128 5.134 3.795 1.00 0.00 N ATOM 1098 CD2 HIS A 68 -8.771 4.252 2.332 1.00 0.00 C ATOM 1099 CE1 HIS A 68 -10.361 5.695 2.598 1.00 0.00 C ATOM 1100 NE2 HIS A 68 -9.560 5.195 1.677 1.00 0.00 N ATOM 0 H HIS A 68 -6.812 5.273 5.165 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.342 4.794 6.201 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.500 3.123 4.480 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.087 2.540 4.940 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -10.616 5.349 4.665 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.007 3.646 1.868 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.106 6.455 2.413 1.00 0.00 H new ATOM 1108 N MET A 69 -7.007 2.822 7.457 1.00 0.00 N ATOM 1109 CA MET A 69 -6.707 1.897 8.544 1.00 0.00 C ATOM 1110 C MET A 69 -6.809 2.598 9.897 1.00 0.00 C ATOM 1111 O MET A 69 -7.510 2.132 10.796 1.00 0.00 O ATOM 1112 CB MET A 69 -5.309 1.304 8.362 1.00 0.00 C ATOM 1113 CG MET A 69 -4.854 0.436 9.526 1.00 0.00 C ATOM 1114 SD MET A 69 -5.923 -0.994 9.790 1.00 0.00 S ATOM 1115 CE MET A 69 -6.219 -1.520 8.105 1.00 0.00 C ATOM 0 H MET A 69 -6.200 3.082 6.889 1.00 0.00 H new ATOM 0 HA MET A 69 -7.440 1.091 8.519 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.293 0.709 7.449 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.595 2.116 8.226 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.836 0.094 9.342 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.829 1.038 10.434 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.321 -2.605 8.075 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.135 -1.059 7.735 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.381 -1.217 7.477 1.00 0.00 H new ATOM 1125 N ASP A 70 -6.105 3.718 10.033 1.00 0.00 N ATOM 1126 CA ASP A 70 -6.116 4.482 11.276 1.00 0.00 C ATOM 1127 C ASP A 70 -7.540 4.866 11.667 1.00 0.00 C ATOM 1128 O ASP A 70 -7.869 4.947 12.851 1.00 0.00 O ATOM 1129 CB ASP A 70 -5.256 5.739 11.133 1.00 0.00 C ATOM 1130 CG ASP A 70 -4.494 6.066 12.402 1.00 0.00 C ATOM 1131 OD1 ASP A 70 -3.358 5.572 12.557 1.00 0.00 O ATOM 1132 OD2 ASP A 70 -5.034 6.818 13.240 1.00 0.00 O ATOM 0 H ASP A 70 -5.520 4.116 9.298 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.700 3.854 12.064 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.550 5.602 10.314 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.892 6.583 10.867 1.00 0.00 H new ATOM 1137 N LYS A 71 -8.379 5.100 10.665 1.00 0.00 N ATOM 1138 CA LYS A 71 -9.768 5.476 10.900 1.00 0.00 C ATOM 1139 C LYS A 71 -10.647 4.241 11.084 1.00 0.00 C ATOM 1140 O LYS A 71 -11.731 4.320 11.662 1.00 0.00 O ATOM 1141 CB LYS A 71 -10.295 6.321 9.739 1.00 0.00 C ATOM 1142 CG LYS A 71 -9.518 7.610 9.524 1.00 0.00 C ATOM 1143 CD LYS A 71 -10.408 8.833 9.684 1.00 0.00 C ATOM 1144 CE LYS A 71 -9.587 10.099 9.867 1.00 0.00 C ATOM 1145 NZ LYS A 71 -10.290 11.298 9.335 1.00 0.00 N ATOM 0 H LYS A 71 -8.121 5.036 9.680 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.805 6.065 11.816 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.261 5.729 8.825 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.342 6.564 9.923 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.695 7.663 10.237 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.077 7.608 8.527 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.047 8.936 8.807 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.065 8.697 10.543 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.374 10.243 10.926 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.628 9.986 9.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.697 12.140 9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.471 11.172 8.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.194 11.421 9.835 1.00 0.00 H new ATOM 1159 N LYS A 72 -10.176 3.102 10.586 1.00 0.00 N ATOM 1160 CA LYS A 72 -10.922 1.853 10.693 1.00 0.00 C ATOM 1161 C LYS A 72 -12.233 1.937 9.917 1.00 0.00 C ATOM 1162 O LYS A 72 -13.269 1.455 10.375 1.00 0.00 O ATOM 1163 CB LYS A 72 -11.197 1.520 12.161 1.00 0.00 C ATOM 1164 CG LYS A 72 -10.853 0.089 12.532 1.00 0.00 C ATOM 1165 CD LYS A 72 -11.679 -0.905 11.731 1.00 0.00 C ATOM 1166 CE LYS A 72 -11.208 -2.333 11.962 1.00 0.00 C ATOM 1167 NZ LYS A 72 -12.332 -3.307 11.896 1.00 0.00 N ATOM 0 H LYS A 72 -9.281 3.018 10.104 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.316 1.057 10.260 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.624 2.199 12.793 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.251 1.699 12.375 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.793 -0.090 12.354 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.028 -0.065 13.597 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.729 -0.817 12.011 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.611 -0.665 10.670 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.458 -2.593 11.215 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.724 -2.402 12.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.969 -4.268 12.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.036 -3.075 12.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.778 -3.260 10.958 1.00 0.00 H new ATOM 1181 N GLU A 73 -12.176 2.551 8.740 1.00 0.00 N ATOM 1182 CA GLU A 73 -13.354 2.699 7.897 1.00 0.00 C ATOM 1183 C GLU A 73 -13.925 1.341 7.519 1.00 0.00 C ATOM 1184 O GLU A 73 -13.189 0.374 7.328 1.00 0.00 O ATOM 1185 CB GLU A 73 -13.005 3.482 6.629 1.00 0.00 C ATOM 1186 CG GLU A 73 -12.615 4.927 6.892 1.00 0.00 C ATOM 1187 CD GLU A 73 -13.270 5.893 5.925 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -12.707 6.110 4.831 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -14.345 6.433 6.260 1.00 0.00 O ATOM 0 H GLU A 73 -11.325 2.954 8.349 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.106 3.248 8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.184 2.980 6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.860 3.463 5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.893 5.195 7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.532 5.026 6.821 1.00 0.00 H new ATOM 1196 N GLU A 74 -15.246 1.279 7.399 1.00 0.00 N ATOM 1197 CA GLU A 74 -15.923 0.043 7.026 1.00 0.00 C ATOM 1198 C GLU A 74 -16.007 -0.074 5.507 1.00 0.00 C ATOM 1199 O GLU A 74 -17.058 -0.390 4.952 1.00 0.00 O ATOM 1200 CB GLU A 74 -17.326 0.001 7.635 1.00 0.00 C ATOM 1201 CG GLU A 74 -18.222 1.141 7.177 1.00 0.00 C ATOM 1202 CD GLU A 74 -19.690 0.868 7.432 1.00 0.00 C ATOM 1203 OE1 GLU A 74 -20.188 -0.179 6.968 1.00 0.00 O ATOM 1204 OE2 GLU A 74 -20.343 1.700 8.098 1.00 0.00 O ATOM 0 H GLU A 74 -15.870 2.071 7.555 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.348 -0.799 7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.797 -0.947 7.376 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.243 0.029 8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.932 2.056 7.693 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.068 1.313 6.112 1.00 0.00 H new ATOM 1211 N ILE A 75 -14.887 0.197 4.845 1.00 0.00 N ATOM 1212 CA ILE A 75 -14.817 0.140 3.393 1.00 0.00 C ATOM 1213 C ILE A 75 -13.802 -0.902 2.927 1.00 0.00 C ATOM 1214 O ILE A 75 -13.959 -1.504 1.866 1.00 0.00 O ATOM 1215 CB ILE A 75 -14.441 1.519 2.814 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -13.062 1.954 3.323 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -15.500 2.546 3.190 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -12.743 3.411 3.060 1.00 0.00 C ATOM 0 H ILE A 75 -14.011 0.460 5.297 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.803 -0.148 3.029 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.396 1.446 1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.006 1.768 4.395 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.299 1.334 2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -15.227 3.517 2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.465 2.238 2.787 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.567 2.619 4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.751 3.642 3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.765 3.600 1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.483 4.040 3.555 1.00 0.00 H new ATOM 1230 N ILE A 76 -12.763 -1.110 3.732 1.00 0.00 N ATOM 1231 CA ILE A 76 -11.725 -2.082 3.408 1.00 0.00 C ATOM 1232 C ILE A 76 -12.240 -3.509 3.582 1.00 0.00 C ATOM 1233 O ILE A 76 -12.986 -3.800 4.516 1.00 0.00 O ATOM 1234 CB ILE A 76 -10.478 -1.881 4.297 1.00 0.00 C ATOM 1235 CG1 ILE A 76 -9.902 -0.478 4.091 1.00 0.00 C ATOM 1236 CG2 ILE A 76 -9.423 -2.940 3.999 1.00 0.00 C ATOM 1237 CD1 ILE A 76 -9.217 0.081 5.319 1.00 0.00 C ATOM 0 H ILE A 76 -12.618 -0.618 4.614 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.449 -1.924 2.365 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.779 -1.987 5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.189 -0.504 3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.706 0.196 3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.554 -2.778 4.637 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.836 -3.930 4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.123 -2.871 2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.833 1.077 5.100 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.932 0.140 6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.391 -0.571 5.604 1.00 0.00 H new ATOM 1249 N ALA A 77 -11.834 -4.395 2.678 1.00 0.00 N ATOM 1250 CA ALA A 77 -12.253 -5.790 2.737 1.00 0.00 C ATOM 1251 C ALA A 77 -11.052 -6.720 2.855 1.00 0.00 C ATOM 1252 O ALA A 77 -9.916 -6.323 2.597 1.00 0.00 O ATOM 1253 CB ALA A 77 -13.075 -6.157 1.511 1.00 0.00 C ATOM 0 H ALA A 77 -11.216 -4.172 1.897 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.872 -5.912 3.626 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.377 -7.202 1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.962 -5.525 1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.476 -6.007 0.613 1.00 0.00 H new ATOM 1259 N PRO A 78 -11.295 -7.980 3.247 1.00 0.00 N ATOM 1260 CA PRO A 78 -10.235 -8.977 3.397 1.00 0.00 C ATOM 1261 C PRO A 78 -9.556 -9.308 2.072 1.00 0.00 C ATOM 1262 O PRO A 78 -10.140 -9.130 1.004 1.00 0.00 O ATOM 1263 CB PRO A 78 -10.968 -10.208 3.938 1.00 0.00 C ATOM 1264 CG PRO A 78 -12.397 -10.009 3.568 1.00 0.00 C ATOM 1265 CD PRO A 78 -12.624 -8.527 3.573 1.00 0.00 C ATOM 0 HA PRO A 78 -9.437 -8.620 4.048 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.573 -11.125 3.501 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.850 -10.293 5.018 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.608 -10.433 2.586 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.057 -10.507 4.279 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.372 -8.232 2.837 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.976 -8.177 4.543 1.00 0.00 H new ATOM 1273 N CYS A 79 -8.323 -9.796 2.150 1.00 0.00 N ATOM 1274 CA CYS A 79 -7.568 -10.157 0.955 1.00 0.00 C ATOM 1275 C CYS A 79 -8.268 -11.277 0.193 1.00 0.00 C ATOM 1276 O CYS A 79 -8.905 -12.145 0.790 1.00 0.00 O ATOM 1277 CB CYS A 79 -6.149 -10.585 1.332 1.00 0.00 C ATOM 1278 SG CYS A 79 -4.944 -10.415 -0.029 1.00 0.00 S ATOM 0 H CYS A 79 -7.825 -9.951 3.027 1.00 0.00 H new ATOM 0 HA CYS A 79 -7.512 -9.281 0.309 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.812 -9.988 2.180 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.168 -11.624 1.661 1.00 0.00 H new ATOM 1283 N LYS A 80 -8.154 -11.250 -1.133 1.00 0.00 N ATOM 1284 CA LYS A 80 -8.786 -12.261 -1.977 1.00 0.00 C ATOM 1285 C LYS A 80 -7.806 -13.370 -2.350 1.00 0.00 C ATOM 1286 O LYS A 80 -8.200 -14.523 -2.522 1.00 0.00 O ATOM 1287 CB LYS A 80 -9.347 -11.614 -3.245 1.00 0.00 C ATOM 1288 CG LYS A 80 -8.331 -10.773 -4.001 1.00 0.00 C ATOM 1289 CD LYS A 80 -8.855 -10.362 -5.368 1.00 0.00 C ATOM 1290 CE LYS A 80 -8.426 -11.342 -6.449 1.00 0.00 C ATOM 1291 NZ LYS A 80 -7.342 -10.785 -7.305 1.00 0.00 N ATOM 0 H LYS A 80 -7.631 -10.540 -1.645 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.601 -12.708 -1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.723 -12.395 -3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.197 -10.987 -2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.089 -9.883 -3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.406 -11.337 -4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.943 -10.304 -5.339 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.489 -9.365 -5.614 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.083 -12.267 -5.985 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.285 -11.596 -7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.078 -11.483 -8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.677 -9.916 -7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.513 -10.566 -6.717 1.00 0.00 H new ATOM 1305 N VAL A 81 -6.532 -13.016 -2.481 1.00 0.00 N ATOM 1306 CA VAL A 81 -5.505 -13.989 -2.843 1.00 0.00 C ATOM 1307 C VAL A 81 -5.266 -15.005 -1.727 1.00 0.00 C ATOM 1308 O VAL A 81 -4.591 -16.013 -1.934 1.00 0.00 O ATOM 1309 CB VAL A 81 -4.169 -13.301 -3.187 1.00 0.00 C ATOM 1310 CG1 VAL A 81 -4.337 -12.381 -4.387 1.00 0.00 C ATOM 1311 CG2 VAL A 81 -3.635 -12.533 -1.985 1.00 0.00 C ATOM 0 H VAL A 81 -6.186 -12.067 -2.343 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.878 -14.511 -3.724 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.442 -14.070 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.384 -11.904 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.668 -12.962 -5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.080 -11.617 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.692 -12.055 -2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.357 -11.772 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.473 -13.222 -1.156 1.00 0.00 H new ATOM 1321 N TYR A 82 -5.818 -14.739 -0.546 1.00 0.00 N ATOM 1322 CA TYR A 82 -5.653 -15.639 0.593 1.00 0.00 C ATOM 1323 C TYR A 82 -6.649 -16.798 0.541 1.00 0.00 C ATOM 1324 O TYR A 82 -6.697 -17.621 1.456 1.00 0.00 O ATOM 1325 CB TYR A 82 -5.814 -14.867 1.905 1.00 0.00 C ATOM 1326 CG TYR A 82 -4.586 -14.909 2.786 1.00 0.00 C ATOM 1327 CD1 TYR A 82 -3.941 -16.111 3.054 1.00 0.00 C ATOM 1328 CD2 TYR A 82 -4.071 -13.748 3.350 1.00 0.00 C ATOM 1329 CE1 TYR A 82 -2.818 -16.155 3.859 1.00 0.00 C ATOM 1330 CE2 TYR A 82 -2.949 -13.784 4.156 1.00 0.00 C ATOM 1331 CZ TYR A 82 -2.327 -14.988 4.407 1.00 0.00 C ATOM 1332 OH TYR A 82 -1.208 -15.028 5.209 1.00 0.00 O ATOM 0 H TYR A 82 -6.381 -13.911 -0.353 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.648 -16.058 0.543 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.053 -13.828 1.679 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.661 -15.276 2.456 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.324 -17.026 2.626 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.555 -12.803 3.155 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.328 -17.097 4.058 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.561 -12.873 4.587 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.992 -14.122 5.514 1.00 0.00 H new ATOM 1342 N TYR A 83 -7.442 -16.863 -0.526 1.00 0.00 N ATOM 1343 CA TYR A 83 -8.427 -17.927 -0.680 1.00 0.00 C ATOM 1344 C TYR A 83 -7.872 -19.063 -1.535 1.00 0.00 C ATOM 1345 O TYR A 83 -8.088 -20.238 -1.238 1.00 0.00 O ATOM 1346 CB TYR A 83 -9.711 -17.377 -1.308 1.00 0.00 C ATOM 1347 CG TYR A 83 -10.825 -17.155 -0.312 1.00 0.00 C ATOM 1348 CD1 TYR A 83 -10.841 -16.031 0.505 1.00 0.00 C ATOM 1349 CD2 TYR A 83 -11.865 -18.070 -0.187 1.00 0.00 C ATOM 1350 CE1 TYR A 83 -11.857 -15.824 1.417 1.00 0.00 C ATOM 1351 CE2 TYR A 83 -12.886 -17.871 0.722 1.00 0.00 C ATOM 1352 CZ TYR A 83 -12.878 -16.747 1.521 1.00 0.00 C ATOM 1353 OH TYR A 83 -13.893 -16.545 2.427 1.00 0.00 O ATOM 0 H TYR A 83 -7.421 -16.192 -1.294 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.657 -18.321 0.310 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -9.487 -16.434 -1.806 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.055 -18.069 -2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -10.044 -15.306 0.425 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -11.875 -18.951 -0.811 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -11.853 -14.945 2.045 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -13.686 -18.592 0.806 1.00 0.00 H new ATOM 0 HH TYR A 83 -14.532 -17.286 2.373 1.00 0.00 H new ATOM 1363 N ASP A 84 -7.157 -18.704 -2.595 1.00 0.00 N ATOM 1364 CA ASP A 84 -6.572 -19.693 -3.494 1.00 0.00 C ATOM 1365 C ASP A 84 -5.603 -20.603 -2.745 1.00 0.00 C ATOM 1366 O ASP A 84 -5.642 -20.692 -1.519 1.00 0.00 O ATOM 1367 CB ASP A 84 -5.850 -18.998 -4.650 1.00 0.00 C ATOM 1368 CG ASP A 84 -6.094 -19.682 -5.980 1.00 0.00 C ATOM 1369 OD1 ASP A 84 -6.256 -20.920 -5.989 1.00 0.00 O ATOM 1370 OD2 ASP A 84 -6.126 -18.980 -7.013 1.00 0.00 O ATOM 0 H ASP A 84 -6.968 -17.736 -2.853 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.379 -20.305 -3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.182 -17.962 -4.711 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.779 -18.978 -4.446 1.00 0.00 H new TER 1375 ASP A 84 HETATM 1376 ZN ZN A 601 -4.638 -8.182 -0.548 1.00 1.00 ZN HETATM 1377 ZN ZN A 602 -9.366 5.659 -0.280 1.00 1.00 ZN