USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN :FLIP amide:sc= -2.41! C(o=-3.8!,f=-2.4!) USER MOD Single : A -1 SER OG : rot 39:sc= 0.623 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot -55:sc= 0.264 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 134:sc= 0.0106 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -170:sc= -0.793 USER MOD Single : A 16 GLN : amide:sc= -0.0298 K(o=-0.03,f=-0.6) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -108:sc= 0.36 (180deg=0) USER MOD Single : A 31 CYS SG : rot 34:sc= 0.188 USER MOD Single : A 35 LYS NZ :NH3+ 161:sc= -0.0602 (180deg=-0.473) USER MOD Single : A 36 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.0077) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -5.7! C(o=-5.7!,f=-9.2!) USER MOD Single : A 45 LYS NZ :NH3+ -128:sc= 0.304 (180deg=-0.393) USER MOD Single : A 54 ASN : amide:sc= 0.159 X(o=0.16,f=0) USER MOD Single : A 56 HIS : no HD1:sc= 0.245 K(o=0.25,f=-5.2!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00154) USER MOD Single : A 61 HIS : no HD1:sc= -2.76! X(o=-2.8!,f=-2.4) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -171:sc=-0.00764 (180deg=-0.143) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.137 F(o=-0.72,f=-0.14) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00491) USER MOD Single : A 77 SER OG : rot -60:sc= 0.462 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -5.295 24.178 2.738 1.00 0.00 N ATOM 2 CA GLY A -6 -5.250 25.071 3.881 1.00 0.00 C ATOM 3 C GLY A -6 -6.525 25.877 4.037 1.00 0.00 C ATOM 4 O GLY A -6 -7.115 26.314 3.049 1.00 0.00 O ATOM 0 H1 GLY A -6 -4.406 24.254 2.203 1.00 0.00 H new ATOM 0 H2 GLY A -6 -5.419 23.199 3.067 1.00 0.00 H new ATOM 0 H3 GLY A -6 -6.092 24.440 2.124 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -5.079 24.489 4.787 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -4.405 25.751 3.774 1.00 0.00 H new ATOM 8 N SER A -5 -6.951 26.072 5.280 1.00 0.00 N ATOM 9 CA SER A -5 -8.167 26.826 5.562 1.00 0.00 C ATOM 10 C SER A -5 -8.081 28.233 4.979 1.00 0.00 C ATOM 11 O SER A -5 -7.578 29.154 5.622 1.00 0.00 O ATOM 12 CB SER A -5 -8.408 26.901 7.071 1.00 0.00 C ATOM 13 OG SER A -5 -8.612 25.610 7.620 1.00 0.00 O ATOM 0 H SER A -5 -6.472 25.718 6.108 1.00 0.00 H new ATOM 0 HA SER A -5 -9.003 26.307 5.093 1.00 0.00 H new ATOM 0 HB2 SER A -5 -7.554 27.375 7.556 1.00 0.00 H new ATOM 0 HB3 SER A -5 -9.277 27.527 7.273 1.00 0.00 H new ATOM 0 HG SER A -5 -8.762 25.685 8.586 1.00 0.00 H new ATOM 19 N SER A -4 -8.578 28.391 3.756 1.00 0.00 N ATOM 20 CA SER A -4 -8.555 29.684 3.083 1.00 0.00 C ATOM 21 C SER A -4 -7.160 30.301 3.138 1.00 0.00 C ATOM 22 O SER A -4 -7.008 31.498 3.374 1.00 0.00 O ATOM 23 CB SER A -4 -9.570 30.634 3.722 1.00 0.00 C ATOM 24 OG SER A -4 -9.757 31.791 2.926 1.00 0.00 O ATOM 0 H SER A -4 -9.001 27.640 3.211 1.00 0.00 H new ATOM 0 HA SER A -4 -8.823 29.526 2.038 1.00 0.00 H new ATOM 0 HB2 SER A -4 -10.522 30.120 3.851 1.00 0.00 H new ATOM 0 HB3 SER A -4 -9.227 30.924 4.715 1.00 0.00 H new ATOM 0 HG SER A -4 -8.890 32.217 2.759 1.00 0.00 H new ATOM 30 N GLY A -3 -6.144 29.472 2.919 1.00 0.00 N ATOM 31 CA GLY A -3 -4.775 29.952 2.948 1.00 0.00 C ATOM 32 C GLY A -3 -4.011 29.603 1.686 1.00 0.00 C ATOM 33 O GLY A -3 -4.279 30.154 0.618 1.00 0.00 O ATOM 0 H GLY A -3 -6.245 28.476 2.722 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -4.775 31.034 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -4.262 29.525 3.810 1.00 0.00 H new ATOM 37 N SER A -2 -3.056 28.687 1.808 1.00 0.00 N ATOM 38 CA SER A -2 -2.247 28.269 0.669 1.00 0.00 C ATOM 39 C SER A -2 -2.318 26.757 0.477 1.00 0.00 C ATOM 40 O SER A -2 -1.836 25.992 1.312 1.00 0.00 O ATOM 41 CB SER A -2 -0.792 28.702 0.864 1.00 0.00 C ATOM 42 OG SER A -2 -0.003 28.358 -0.262 1.00 0.00 O ATOM 0 H SER A -2 -2.823 28.220 2.684 1.00 0.00 H new ATOM 0 HA SER A -2 -2.646 28.750 -0.224 1.00 0.00 H new ATOM 0 HB2 SER A -2 -0.748 29.779 1.027 1.00 0.00 H new ATOM 0 HB3 SER A -2 -0.384 28.227 1.757 1.00 0.00 H new ATOM 0 HG SER A -2 0.922 28.646 -0.114 1.00 0.00 H new ATOM 48 N SER A -1 -2.923 26.335 -0.628 1.00 0.00 N ATOM 49 CA SER A -1 -3.062 24.915 -0.929 1.00 0.00 C ATOM 50 C SER A -1 -1.819 24.144 -0.496 1.00 0.00 C ATOM 51 O SER A -1 -0.751 24.281 -1.091 1.00 0.00 O ATOM 52 CB SER A -1 -3.306 24.711 -2.426 1.00 0.00 C ATOM 53 OG SER A -1 -2.237 25.236 -3.194 1.00 0.00 O ATOM 0 H SER A -1 -3.325 26.956 -1.330 1.00 0.00 H new ATOM 0 HA SER A -1 -3.918 24.533 -0.373 1.00 0.00 H new ATOM 0 HB2 SER A -1 -3.422 23.648 -2.637 1.00 0.00 H new ATOM 0 HB3 SER A -1 -4.238 25.197 -2.715 1.00 0.00 H new ATOM 0 HG SER A -1 -1.388 25.053 -2.740 1.00 0.00 H new ATOM 59 N GLY A 0 -1.967 23.333 0.547 1.00 0.00 N ATOM 60 CA GLY A 0 -0.849 22.552 1.044 1.00 0.00 C ATOM 61 C GLY A 0 -0.942 21.091 0.649 1.00 0.00 C ATOM 62 O GLY A 0 -1.182 20.770 -0.514 1.00 0.00 O ATOM 0 H GLY A 0 -2.841 23.203 1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 0 0.082 22.970 0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -0.810 22.630 2.131 1.00 0.00 H new ATOM 66 N MET A 1 -0.749 20.204 1.620 1.00 0.00 N ATOM 67 CA MET A 1 -0.812 18.769 1.367 1.00 0.00 C ATOM 68 C MET A 1 -1.673 18.070 2.414 1.00 0.00 C ATOM 69 O MET A 1 -2.131 18.692 3.372 1.00 0.00 O ATOM 70 CB MET A 1 0.595 18.169 1.362 1.00 0.00 C ATOM 71 CG MET A 1 1.284 18.223 2.716 1.00 0.00 C ATOM 72 SD MET A 1 2.046 19.824 3.044 1.00 0.00 S ATOM 73 CE MET A 1 3.726 19.515 2.508 1.00 0.00 C ATOM 0 H MET A 1 -0.548 20.453 2.588 1.00 0.00 H new ATOM 0 HA MET A 1 -1.267 18.617 0.388 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.537 17.131 1.034 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.205 18.701 0.632 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.557 18.004 3.498 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.047 17.446 2.763 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.324 20.415 2.649 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.151 18.701 3.095 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.727 19.240 1.453 1.00 0.00 H new ATOM 83 N VAL A 2 -1.889 16.772 2.224 1.00 0.00 N ATOM 84 CA VAL A 2 -2.694 15.987 3.153 1.00 0.00 C ATOM 85 C VAL A 2 -2.163 14.563 3.273 1.00 0.00 C ATOM 86 O VAL A 2 -2.283 13.764 2.344 1.00 0.00 O ATOM 87 CB VAL A 2 -4.169 15.939 2.714 1.00 0.00 C ATOM 88 CG1 VAL A 2 -5.019 15.251 3.772 1.00 0.00 C ATOM 89 CG2 VAL A 2 -4.687 17.341 2.431 1.00 0.00 C ATOM 0 H VAL A 2 -1.518 16.242 1.435 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.628 16.478 4.124 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.237 15.359 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.058 15.226 3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.661 14.232 3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.947 15.801 4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.731 17.288 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.606 17.948 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.096 17.794 1.635 1.00 0.00 H new ATOM 99 N LYS A 3 -1.577 14.251 4.423 1.00 0.00 N ATOM 100 CA LYS A 3 -1.028 12.923 4.668 1.00 0.00 C ATOM 101 C LYS A 3 -2.138 11.878 4.723 1.00 0.00 C ATOM 102 O LYS A 3 -3.299 12.203 4.979 1.00 0.00 O ATOM 103 CB LYS A 3 -0.234 12.909 5.976 1.00 0.00 C ATOM 104 CG LYS A 3 0.825 11.822 6.033 1.00 0.00 C ATOM 105 CD LYS A 3 1.900 12.144 7.058 1.00 0.00 C ATOM 106 CE LYS A 3 2.992 11.086 7.071 1.00 0.00 C ATOM 107 NZ LYS A 3 4.033 11.376 8.096 1.00 0.00 N ATOM 0 H LYS A 3 -1.470 14.901 5.202 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.360 12.676 3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.245 13.879 6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.924 12.776 6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.357 10.870 6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.281 11.705 5.050 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.337 13.117 6.835 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.450 12.216 8.048 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.549 10.110 7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.457 11.032 6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.759 10.632 8.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.473 12.296 7.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.594 11.403 9.039 1.00 0.00 H new ATOM 121 N LEU A 4 -1.775 10.623 4.483 1.00 0.00 N ATOM 122 CA LEU A 4 -2.741 9.529 4.507 1.00 0.00 C ATOM 123 C LEU A 4 -2.167 8.312 5.226 1.00 0.00 C ATOM 124 O LEU A 4 -1.092 7.823 4.880 1.00 0.00 O ATOM 125 CB LEU A 4 -3.147 9.149 3.082 1.00 0.00 C ATOM 126 CG LEU A 4 -3.799 10.256 2.253 1.00 0.00 C ATOM 127 CD1 LEU A 4 -3.705 9.937 0.769 1.00 0.00 C ATOM 128 CD2 LEU A 4 -5.251 10.448 2.668 1.00 0.00 C ATOM 0 H LEU A 4 -0.819 10.337 4.270 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.623 9.868 5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.260 8.801 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.837 8.307 3.134 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.263 11.187 2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.174 10.736 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.657 9.850 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.216 8.996 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.699 11.240 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.800 9.519 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.295 10.723 3.722 1.00 0.00 H new ATOM 140 N PHE A 5 -2.893 7.827 6.229 1.00 0.00 N ATOM 141 CA PHE A 5 -2.457 6.667 6.996 1.00 0.00 C ATOM 142 C PHE A 5 -2.990 5.376 6.380 1.00 0.00 C ATOM 143 O PHE A 5 -4.201 5.183 6.269 1.00 0.00 O ATOM 144 CB PHE A 5 -2.925 6.783 8.448 1.00 0.00 C ATOM 145 CG PHE A 5 -2.760 5.515 9.235 1.00 0.00 C ATOM 146 CD1 PHE A 5 -1.559 4.824 9.217 1.00 0.00 C ATOM 147 CD2 PHE A 5 -3.806 5.013 9.992 1.00 0.00 C ATOM 148 CE1 PHE A 5 -1.404 3.656 9.941 1.00 0.00 C ATOM 149 CE2 PHE A 5 -3.657 3.846 10.718 1.00 0.00 C ATOM 150 CZ PHE A 5 -2.455 3.167 10.691 1.00 0.00 C ATOM 0 H PHE A 5 -3.785 8.220 6.529 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.368 6.637 6.974 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.367 7.581 8.938 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.975 7.075 8.460 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.734 5.202 8.631 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.749 5.539 10.015 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.463 3.127 9.920 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.480 3.466 11.306 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.337 2.254 11.256 1.00 0.00 H new ATOM 160 N ILE A 6 -2.077 4.497 5.982 1.00 0.00 N ATOM 161 CA ILE A 6 -2.455 3.225 5.378 1.00 0.00 C ATOM 162 C ILE A 6 -1.890 2.051 6.170 1.00 0.00 C ATOM 163 O ILE A 6 -0.684 1.965 6.398 1.00 0.00 O ATOM 164 CB ILE A 6 -1.968 3.127 3.920 1.00 0.00 C ATOM 165 CG1 ILE A 6 -2.414 4.357 3.127 1.00 0.00 C ATOM 166 CG2 ILE A 6 -2.490 1.854 3.271 1.00 0.00 C ATOM 167 CD1 ILE A 6 -1.759 4.471 1.768 1.00 0.00 C ATOM 0 H ILE A 6 -1.071 4.642 6.067 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.544 3.180 5.393 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.879 3.092 3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.496 4.323 2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.190 5.253 3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.137 1.800 2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.128 0.988 3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.580 1.861 3.281 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.122 5.366 1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.678 4.537 1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.004 3.593 1.171 1.00 0.00 H new ATOM 179 N GLY A 7 -2.771 1.146 6.587 1.00 0.00 N ATOM 180 CA GLY A 7 -2.342 -0.012 7.348 1.00 0.00 C ATOM 181 C GLY A 7 -2.741 -1.318 6.690 1.00 0.00 C ATOM 182 O GLY A 7 -3.406 -1.322 5.656 1.00 0.00 O ATOM 0 H GLY A 7 -3.774 1.195 6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.259 0.016 7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.773 0.034 8.348 1.00 0.00 H new ATOM 186 N ASN A 8 -2.332 -2.431 7.292 1.00 0.00 N ATOM 187 CA ASN A 8 -2.650 -3.750 6.757 1.00 0.00 C ATOM 188 C ASN A 8 -2.086 -3.916 5.349 1.00 0.00 C ATOM 189 O ASN A 8 -2.765 -4.416 4.451 1.00 0.00 O ATOM 190 CB ASN A 8 -4.164 -3.965 6.740 1.00 0.00 C ATOM 191 CG ASN A 8 -4.554 -5.284 6.101 1.00 0.00 C ATOM 192 OD1 ASN A 8 -3.729 -6.306 6.303 1.00 0.00 O flip ATOM 193 ND2 ASN A 8 -5.584 -5.383 5.434 1.00 0.00 N flip ATOM 0 H ASN A 8 -1.780 -2.445 8.150 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.191 -4.497 7.404 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.544 -3.933 7.761 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.638 -3.147 6.197 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.188 -4.571 5.305 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.833 -6.277 5.010 1.00 0.00 H new ATOM 200 N LEU A 9 -0.840 -3.493 5.163 1.00 0.00 N ATOM 201 CA LEU A 9 -0.184 -3.595 3.864 1.00 0.00 C ATOM 202 C LEU A 9 0.534 -4.933 3.720 1.00 0.00 C ATOM 203 O LEU A 9 1.139 -5.446 4.663 1.00 0.00 O ATOM 204 CB LEU A 9 0.811 -2.447 3.682 1.00 0.00 C ATOM 205 CG LEU A 9 0.204 -1.059 3.477 1.00 0.00 C ATOM 206 CD1 LEU A 9 1.250 0.020 3.706 1.00 0.00 C ATOM 207 CD2 LEU A 9 -0.392 -0.939 2.082 1.00 0.00 C ATOM 0 H LEU A 9 -0.264 -3.076 5.895 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.950 -3.530 3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.459 -2.412 4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.445 -2.675 2.825 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.595 -0.922 4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.800 1.001 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.630 -0.052 4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.071 -0.114 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.820 0.055 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.389 -1.097 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.173 -1.689 1.954 1.00 0.00 H new ATOM 219 N PRO A 10 0.469 -5.513 2.513 1.00 0.00 N ATOM 220 CA PRO A 10 1.110 -6.798 2.216 1.00 0.00 C ATOM 221 C PRO A 10 2.607 -6.655 1.967 1.00 0.00 C ATOM 222 O PRO A 10 3.172 -5.573 2.127 1.00 0.00 O ATOM 223 CB PRO A 10 0.398 -7.264 0.944 1.00 0.00 C ATOM 224 CG PRO A 10 -0.036 -6.008 0.271 1.00 0.00 C ATOM 225 CD PRO A 10 -0.234 -4.959 1.344 1.00 0.00 C ATOM 0 HA PRO A 10 1.026 -7.497 3.048 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.065 -7.844 0.307 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.454 -7.902 1.178 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.713 -5.681 -0.450 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.961 -6.170 -0.282 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.184 -3.998 1.045 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.291 -4.796 1.554 1.00 0.00 H new ATOM 233 N ARG A 11 3.245 -7.754 1.575 1.00 0.00 N ATOM 234 CA ARG A 11 4.677 -7.750 1.304 1.00 0.00 C ATOM 235 C ARG A 11 4.963 -7.239 -0.105 1.00 0.00 C ATOM 236 O ARG A 11 5.966 -6.566 -0.339 1.00 0.00 O ATOM 237 CB ARG A 11 5.253 -9.157 1.474 1.00 0.00 C ATOM 238 CG ARG A 11 6.703 -9.171 1.932 1.00 0.00 C ATOM 239 CD ARG A 11 7.436 -10.402 1.423 1.00 0.00 C ATOM 240 NE ARG A 11 7.277 -10.577 -0.018 1.00 0.00 N ATOM 241 CZ ARG A 11 7.729 -11.634 -0.684 1.00 0.00 C ATOM 242 NH1 ARG A 11 8.364 -12.604 -0.042 1.00 0.00 N ATOM 243 NH2 ARG A 11 7.546 -11.721 -1.996 1.00 0.00 N ATOM 0 H ARG A 11 2.792 -8.658 1.438 1.00 0.00 H new ATOM 0 HA ARG A 11 5.155 -7.080 2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.647 -9.703 2.197 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.175 -9.689 0.526 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.207 -8.273 1.575 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.742 -9.147 3.021 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.496 -10.318 1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.061 -11.286 1.939 1.00 0.00 H new ATOM 0 HE ARG A 11 6.793 -9.848 -0.542 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.507 -12.540 0.966 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.710 -13.414 -0.556 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.058 -10.976 -2.493 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.893 -12.533 -2.507 1.00 0.00 H new ATOM 257 N GLU A 12 4.075 -7.564 -1.039 1.00 0.00 N ATOM 258 CA GLU A 12 4.233 -7.139 -2.424 1.00 0.00 C ATOM 259 C GLU A 12 4.056 -5.628 -2.553 1.00 0.00 C ATOM 260 O GLU A 12 4.611 -5.003 -3.456 1.00 0.00 O ATOM 261 CB GLU A 12 3.225 -7.860 -3.321 1.00 0.00 C ATOM 262 CG GLU A 12 3.528 -9.337 -3.512 1.00 0.00 C ATOM 263 CD GLU A 12 2.304 -10.136 -3.917 1.00 0.00 C ATOM 264 OE1 GLU A 12 2.016 -10.207 -5.130 1.00 0.00 O ATOM 265 OE2 GLU A 12 1.634 -10.690 -3.020 1.00 0.00 O ATOM 0 H GLU A 12 3.239 -8.120 -0.861 1.00 0.00 H new ATOM 0 HA GLU A 12 5.242 -7.398 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.229 -7.755 -2.892 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.205 -7.373 -4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.300 -9.450 -4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.933 -9.744 -2.585 1.00 0.00 H new ATOM 272 N ALA A 13 3.278 -5.050 -1.645 1.00 0.00 N ATOM 273 CA ALA A 13 3.028 -3.614 -1.655 1.00 0.00 C ATOM 274 C ALA A 13 4.331 -2.831 -1.775 1.00 0.00 C ATOM 275 O ALA A 13 5.327 -3.158 -1.129 1.00 0.00 O ATOM 276 CB ALA A 13 2.275 -3.200 -0.400 1.00 0.00 C ATOM 0 H ALA A 13 2.809 -5.554 -0.892 1.00 0.00 H new ATOM 0 HA ALA A 13 2.414 -3.383 -2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.095 -2.125 -0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.322 -3.726 -0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.868 -3.451 0.480 1.00 0.00 H new ATOM 282 N THR A 14 4.319 -1.795 -2.608 1.00 0.00 N ATOM 283 CA THR A 14 5.500 -0.966 -2.814 1.00 0.00 C ATOM 284 C THR A 14 5.143 0.516 -2.789 1.00 0.00 C ATOM 285 O THR A 14 3.981 0.886 -2.953 1.00 0.00 O ATOM 286 CB THR A 14 6.189 -1.294 -4.153 1.00 0.00 C ATOM 287 OG1 THR A 14 5.243 -1.209 -5.224 1.00 0.00 O ATOM 288 CG2 THR A 14 6.802 -2.685 -4.119 1.00 0.00 C ATOM 0 H THR A 14 3.504 -1.510 -3.151 1.00 0.00 H new ATOM 0 HA THR A 14 6.187 -1.185 -1.996 1.00 0.00 H new ATOM 0 HB THR A 14 6.986 -0.568 -4.315 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.643 -1.569 -6.043 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.283 -2.894 -5.075 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.543 -2.737 -3.321 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.021 -3.423 -3.937 1.00 0.00 H new ATOM 296 N GLU A 15 6.150 1.358 -2.582 1.00 0.00 N ATOM 297 CA GLU A 15 5.941 2.801 -2.535 1.00 0.00 C ATOM 298 C GLU A 15 5.354 3.309 -3.848 1.00 0.00 C ATOM 299 O GLU A 15 4.543 4.234 -3.861 1.00 0.00 O ATOM 300 CB GLU A 15 7.259 3.520 -2.240 1.00 0.00 C ATOM 301 CG GLU A 15 7.559 3.658 -0.757 1.00 0.00 C ATOM 302 CD GLU A 15 9.010 4.005 -0.485 1.00 0.00 C ATOM 303 OE1 GLU A 15 9.867 3.675 -1.331 1.00 0.00 O ATOM 304 OE2 GLU A 15 9.288 4.605 0.574 1.00 0.00 O ATOM 0 H GLU A 15 7.118 1.067 -2.444 1.00 0.00 H new ATOM 0 HA GLU A 15 5.232 3.014 -1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.074 2.977 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.230 4.512 -2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.919 4.430 -0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.312 2.724 -0.252 1.00 0.00 H new ATOM 311 N GLN A 16 5.772 2.696 -4.952 1.00 0.00 N ATOM 312 CA GLN A 16 5.289 3.087 -6.271 1.00 0.00 C ATOM 313 C GLN A 16 3.862 2.598 -6.495 1.00 0.00 C ATOM 314 O GLN A 16 2.994 3.361 -6.920 1.00 0.00 O ATOM 315 CB GLN A 16 6.208 2.530 -7.359 1.00 0.00 C ATOM 316 CG GLN A 16 6.867 1.213 -6.984 1.00 0.00 C ATOM 317 CD GLN A 16 7.460 0.495 -8.180 1.00 0.00 C ATOM 318 OE1 GLN A 16 6.865 0.463 -9.258 1.00 0.00 O ATOM 319 NE2 GLN A 16 8.640 -0.085 -7.998 1.00 0.00 N ATOM 0 H GLN A 16 6.443 1.928 -4.959 1.00 0.00 H new ATOM 0 HA GLN A 16 5.293 4.176 -6.324 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.631 2.391 -8.273 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.983 3.264 -7.579 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.652 1.400 -6.251 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.131 0.567 -6.505 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.098 -0.034 -7.088 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.088 -0.581 -8.768 1.00 0.00 H new ATOM 328 N GLU A 17 3.626 1.322 -6.207 1.00 0.00 N ATOM 329 CA GLU A 17 2.304 0.732 -6.379 1.00 0.00 C ATOM 330 C GLU A 17 1.246 1.541 -5.634 1.00 0.00 C ATOM 331 O GLU A 17 0.207 1.889 -6.195 1.00 0.00 O ATOM 332 CB GLU A 17 2.298 -0.715 -5.882 1.00 0.00 C ATOM 333 CG GLU A 17 2.775 -1.717 -6.920 1.00 0.00 C ATOM 334 CD GLU A 17 2.710 -3.148 -6.422 1.00 0.00 C ATOM 335 OE1 GLU A 17 1.905 -3.421 -5.507 1.00 0.00 O ATOM 336 OE2 GLU A 17 3.463 -3.994 -6.947 1.00 0.00 O ATOM 0 H GLU A 17 4.333 0.677 -5.854 1.00 0.00 H new ATOM 0 HA GLU A 17 2.065 0.744 -7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.932 -0.790 -4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.287 -0.979 -5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.166 -1.621 -7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.801 -1.481 -7.203 1.00 0.00 H new ATOM 343 N ILE A 18 1.519 1.836 -4.367 1.00 0.00 N ATOM 344 CA ILE A 18 0.592 2.605 -3.546 1.00 0.00 C ATOM 345 C ILE A 18 0.478 4.042 -4.043 1.00 0.00 C ATOM 346 O ILE A 18 -0.622 4.549 -4.262 1.00 0.00 O ATOM 347 CB ILE A 18 1.026 2.617 -2.068 1.00 0.00 C ATOM 348 CG1 ILE A 18 1.140 1.187 -1.536 1.00 0.00 C ATOM 349 CG2 ILE A 18 0.042 3.422 -1.233 1.00 0.00 C ATOM 350 CD1 ILE A 18 -0.135 0.386 -1.679 1.00 0.00 C ATOM 0 H ILE A 18 2.374 1.554 -3.887 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.380 2.118 -3.627 1.00 0.00 H new ATOM 0 HB ILE A 18 2.005 3.091 -1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.943 0.674 -2.065 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.422 1.221 -0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.363 3.421 -0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.007 4.448 -1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.949 2.975 -1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.019 -0.617 -1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.937 0.876 -1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.408 0.321 -2.732 1.00 0.00 H new ATOM 362 N ARG A 19 1.623 4.693 -4.220 1.00 0.00 N ATOM 363 CA ARG A 19 1.652 6.072 -4.692 1.00 0.00 C ATOM 364 C ARG A 19 0.848 6.223 -5.980 1.00 0.00 C ATOM 365 O ARG A 19 0.122 7.201 -6.159 1.00 0.00 O ATOM 366 CB ARG A 19 3.095 6.524 -4.923 1.00 0.00 C ATOM 367 CG ARG A 19 3.211 7.794 -5.750 1.00 0.00 C ATOM 368 CD ARG A 19 3.322 7.484 -7.234 1.00 0.00 C ATOM 369 NE ARG A 19 4.491 6.662 -7.535 1.00 0.00 N ATOM 370 CZ ARG A 19 4.713 6.107 -8.722 1.00 0.00 C ATOM 371 NH1 ARG A 19 3.851 6.287 -9.713 1.00 0.00 N ATOM 372 NH2 ARG A 19 5.800 5.371 -8.919 1.00 0.00 N ATOM 0 H ARG A 19 2.542 4.288 -4.044 1.00 0.00 H new ATOM 0 HA ARG A 19 1.199 6.701 -3.926 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.575 6.684 -3.958 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.642 5.724 -5.422 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.340 8.425 -5.573 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.086 8.360 -5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.421 6.968 -7.565 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.380 8.416 -7.796 1.00 0.00 H new ATOM 0 HE ARG A 19 5.174 6.505 -6.794 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.015 6.853 -9.565 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.024 5.860 -10.623 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.466 5.231 -8.159 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.969 4.945 -9.830 1.00 0.00 H new ATOM 386 N SER A 20 0.983 5.249 -6.873 1.00 0.00 N ATOM 387 CA SER A 20 0.273 5.275 -8.147 1.00 0.00 C ATOM 388 C SER A 20 -1.237 5.254 -7.927 1.00 0.00 C ATOM 389 O SER A 20 -1.979 6.006 -8.561 1.00 0.00 O ATOM 390 CB SER A 20 0.690 4.085 -9.013 1.00 0.00 C ATOM 391 OG SER A 20 -0.026 4.068 -10.235 1.00 0.00 O ATOM 0 H SER A 20 1.578 4.431 -6.738 1.00 0.00 H new ATOM 0 HA SER A 20 0.536 6.199 -8.662 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.760 4.136 -9.215 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.512 3.156 -8.471 1.00 0.00 H new ATOM 0 HG SER A 20 0.260 3.299 -10.771 1.00 0.00 H new ATOM 397 N LEU A 21 -1.685 4.389 -7.025 1.00 0.00 N ATOM 398 CA LEU A 21 -3.106 4.268 -6.720 1.00 0.00 C ATOM 399 C LEU A 21 -3.711 5.630 -6.394 1.00 0.00 C ATOM 400 O LEU A 21 -4.905 5.854 -6.591 1.00 0.00 O ATOM 401 CB LEU A 21 -3.317 3.310 -5.546 1.00 0.00 C ATOM 402 CG LEU A 21 -3.233 1.819 -5.873 1.00 0.00 C ATOM 403 CD1 LEU A 21 -3.216 0.992 -4.597 1.00 0.00 C ATOM 404 CD2 LEU A 21 -4.394 1.403 -6.764 1.00 0.00 C ATOM 0 H LEU A 21 -1.085 3.760 -6.491 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.608 3.869 -7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.575 3.536 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.296 3.511 -5.110 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.303 1.637 -6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.156 -0.066 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.352 1.271 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.128 1.178 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.318 0.339 -6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.335 1.600 -6.251 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.361 1.972 -7.693 1.00 0.00 H new ATOM 416 N PHE A 22 -2.877 6.538 -5.896 1.00 0.00 N ATOM 417 CA PHE A 22 -3.329 7.879 -5.544 1.00 0.00 C ATOM 418 C PHE A 22 -3.199 8.826 -6.734 1.00 0.00 C ATOM 419 O PHE A 22 -3.962 9.782 -6.865 1.00 0.00 O ATOM 420 CB PHE A 22 -2.525 8.416 -4.359 1.00 0.00 C ATOM 421 CG PHE A 22 -2.898 7.787 -3.047 1.00 0.00 C ATOM 422 CD1 PHE A 22 -3.975 8.263 -2.317 1.00 0.00 C ATOM 423 CD2 PHE A 22 -2.172 6.720 -2.544 1.00 0.00 C ATOM 424 CE1 PHE A 22 -4.320 7.687 -1.109 1.00 0.00 C ATOM 425 CE2 PHE A 22 -2.512 6.139 -1.337 1.00 0.00 C ATOM 426 CZ PHE A 22 -3.589 6.623 -0.619 1.00 0.00 C ATOM 0 H PHE A 22 -1.885 6.369 -5.727 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.380 7.820 -5.263 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.464 8.249 -4.544 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.670 9.494 -4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.552 9.094 -2.696 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.330 6.337 -3.102 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.161 8.069 -0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.937 5.308 -0.956 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.858 6.170 0.324 1.00 0.00 H new ATOM 436 N GLU A 23 -2.225 8.552 -7.596 1.00 0.00 N ATOM 437 CA GLU A 23 -1.994 9.381 -8.774 1.00 0.00 C ATOM 438 C GLU A 23 -3.220 9.392 -9.681 1.00 0.00 C ATOM 439 O GLU A 23 -3.314 10.200 -10.604 1.00 0.00 O ATOM 440 CB GLU A 23 -0.776 8.874 -9.550 1.00 0.00 C ATOM 441 CG GLU A 23 0.541 9.089 -8.824 1.00 0.00 C ATOM 442 CD GLU A 23 1.713 9.242 -9.774 1.00 0.00 C ATOM 443 OE1 GLU A 23 2.054 8.256 -10.460 1.00 0.00 O ATOM 444 OE2 GLU A 23 2.288 10.349 -9.832 1.00 0.00 O ATOM 0 H GLU A 23 -1.584 7.764 -7.501 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.804 10.400 -8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.901 7.810 -9.751 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.735 9.378 -10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.466 9.979 -8.199 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.726 8.246 -8.158 1.00 0.00 H new ATOM 451 N GLN A 24 -4.157 8.490 -9.410 1.00 0.00 N ATOM 452 CA GLN A 24 -5.378 8.395 -10.203 1.00 0.00 C ATOM 453 C GLN A 24 -6.438 9.362 -9.687 1.00 0.00 C ATOM 454 O GLN A 24 -7.320 9.787 -10.434 1.00 0.00 O ATOM 455 CB GLN A 24 -5.919 6.964 -10.175 1.00 0.00 C ATOM 456 CG GLN A 24 -5.017 5.959 -10.873 1.00 0.00 C ATOM 457 CD GLN A 24 -5.672 4.602 -11.037 1.00 0.00 C ATOM 458 OE1 GLN A 24 -5.979 4.179 -12.152 1.00 0.00 O ATOM 459 NE2 GLN A 24 -5.890 3.911 -9.924 1.00 0.00 N ATOM 0 H GLN A 24 -4.095 7.815 -8.648 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.136 8.664 -11.231 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.057 6.657 -9.138 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.902 6.947 -10.646 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.740 6.345 -11.854 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.095 5.847 -10.303 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.619 4.300 -9.021 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.328 2.991 -9.972 1.00 0.00 H new ATOM 468 N TYR A 25 -6.347 9.705 -8.407 1.00 0.00 N ATOM 469 CA TYR A 25 -7.300 10.620 -7.791 1.00 0.00 C ATOM 470 C TYR A 25 -6.624 11.933 -7.406 1.00 0.00 C ATOM 471 O TYR A 25 -7.267 12.849 -6.895 1.00 0.00 O ATOM 472 CB TYR A 25 -7.931 9.977 -6.555 1.00 0.00 C ATOM 473 CG TYR A 25 -8.409 8.561 -6.787 1.00 0.00 C ATOM 474 CD1 TYR A 25 -7.530 7.488 -6.711 1.00 0.00 C ATOM 475 CD2 TYR A 25 -9.741 8.297 -7.081 1.00 0.00 C ATOM 476 CE1 TYR A 25 -7.963 6.194 -6.923 1.00 0.00 C ATOM 477 CE2 TYR A 25 -10.183 7.005 -7.293 1.00 0.00 C ATOM 478 CZ TYR A 25 -9.290 5.957 -7.213 1.00 0.00 C ATOM 479 OH TYR A 25 -9.726 4.669 -7.423 1.00 0.00 O ATOM 0 H TYR A 25 -5.623 9.363 -7.776 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.082 10.835 -8.520 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.203 9.978 -5.744 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.773 10.587 -6.228 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.490 7.669 -6.482 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.443 9.115 -7.145 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.266 5.372 -6.862 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.222 6.817 -7.520 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.687 4.676 -7.615 1.00 0.00 H new ATOM 489 N GLY A 26 -5.321 12.016 -7.657 1.00 0.00 N ATOM 490 CA GLY A 26 -4.579 13.220 -7.332 1.00 0.00 C ATOM 491 C GLY A 26 -3.088 12.968 -7.216 1.00 0.00 C ATOM 492 O GLY A 26 -2.663 11.883 -6.818 1.00 0.00 O ATOM 0 H GLY A 26 -4.766 11.271 -8.079 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.759 13.972 -8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.950 13.629 -6.392 1.00 0.00 H new ATOM 496 N LYS A 27 -2.291 13.972 -7.567 1.00 0.00 N ATOM 497 CA LYS A 27 -0.839 13.856 -7.501 1.00 0.00 C ATOM 498 C LYS A 27 -0.379 13.583 -6.073 1.00 0.00 C ATOM 499 O LYS A 27 -1.044 13.970 -5.111 1.00 0.00 O ATOM 500 CB LYS A 27 -0.181 15.133 -8.026 1.00 0.00 C ATOM 501 CG LYS A 27 1.185 14.902 -8.650 1.00 0.00 C ATOM 502 CD LYS A 27 1.960 16.201 -8.793 1.00 0.00 C ATOM 503 CE LYS A 27 2.796 16.491 -7.556 1.00 0.00 C ATOM 504 NZ LYS A 27 4.068 15.717 -7.553 1.00 0.00 N ATOM 0 H LYS A 27 -2.627 14.876 -7.900 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.538 13.016 -8.127 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.836 15.591 -8.767 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.081 15.844 -7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.753 14.204 -8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.065 14.439 -9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.609 16.144 -9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.265 17.023 -8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.019 17.557 -7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.220 16.247 -6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.015 14.965 -6.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.218 15.292 -8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.861 16.352 -7.330 1.00 0.00 H new ATOM 518 N VAL A 28 0.763 12.916 -5.941 1.00 0.00 N ATOM 519 CA VAL A 28 1.313 12.594 -4.629 1.00 0.00 C ATOM 520 C VAL A 28 2.603 13.365 -4.371 1.00 0.00 C ATOM 521 O VAL A 28 3.286 13.785 -5.305 1.00 0.00 O ATOM 522 CB VAL A 28 1.593 11.086 -4.493 1.00 0.00 C ATOM 523 CG1 VAL A 28 2.437 10.809 -3.258 1.00 0.00 C ATOM 524 CG2 VAL A 28 0.289 10.305 -4.443 1.00 0.00 C ATOM 0 H VAL A 28 1.325 12.588 -6.726 1.00 0.00 H new ATOM 0 HA VAL A 28 0.565 12.885 -3.891 1.00 0.00 H new ATOM 0 HB VAL A 28 2.154 10.758 -5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.625 9.738 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.386 11.339 -3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.906 11.151 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.506 9.241 -4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.300 10.634 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.275 10.479 -5.360 1.00 0.00 H new ATOM 534 N LEU A 29 2.931 13.548 -3.096 1.00 0.00 N ATOM 535 CA LEU A 29 4.140 14.268 -2.713 1.00 0.00 C ATOM 536 C LEU A 29 5.132 13.338 -2.022 1.00 0.00 C ATOM 537 O LEU A 29 6.299 13.266 -2.405 1.00 0.00 O ATOM 538 CB LEU A 29 3.790 15.436 -1.789 1.00 0.00 C ATOM 539 CG LEU A 29 2.641 16.334 -2.248 1.00 0.00 C ATOM 540 CD1 LEU A 29 2.378 17.429 -1.226 1.00 0.00 C ATOM 541 CD2 LEU A 29 2.946 16.936 -3.612 1.00 0.00 C ATOM 0 H LEU A 29 2.376 13.208 -2.311 1.00 0.00 H new ATOM 0 HA LEU A 29 4.605 14.656 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.540 15.034 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.680 16.053 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 29 1.742 15.724 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.557 18.058 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.114 16.978 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.275 18.037 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.117 17.572 -3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.857 17.531 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.082 16.137 -4.340 1.00 0.00 H new ATOM 553 N GLU A 30 4.658 12.625 -1.005 1.00 0.00 N ATOM 554 CA GLU A 30 5.504 11.699 -0.262 1.00 0.00 C ATOM 555 C GLU A 30 4.837 10.331 -0.142 1.00 0.00 C ATOM 556 O GLU A 30 3.620 10.234 0.019 1.00 0.00 O ATOM 557 CB GLU A 30 5.808 12.255 1.131 1.00 0.00 C ATOM 558 CG GLU A 30 6.920 13.290 1.143 1.00 0.00 C ATOM 559 CD GLU A 30 7.177 13.853 2.528 1.00 0.00 C ATOM 560 OE1 GLU A 30 7.326 13.052 3.475 1.00 0.00 O ATOM 561 OE2 GLU A 30 7.228 15.093 2.664 1.00 0.00 O ATOM 0 H GLU A 30 3.693 12.671 -0.677 1.00 0.00 H new ATOM 0 HA GLU A 30 6.439 11.582 -0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.902 12.702 1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.082 11.431 1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.836 12.838 0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.661 14.104 0.466 1.00 0.00 H new ATOM 568 N CYS A 31 5.643 9.278 -0.221 1.00 0.00 N ATOM 569 CA CYS A 31 5.132 7.915 -0.123 1.00 0.00 C ATOM 570 C CYS A 31 6.142 7.005 0.570 1.00 0.00 C ATOM 571 O CYS A 31 7.192 6.688 0.011 1.00 0.00 O ATOM 572 CB CYS A 31 4.805 7.369 -1.513 1.00 0.00 C ATOM 573 SG CYS A 31 6.249 7.158 -2.582 1.00 0.00 S ATOM 0 H CYS A 31 6.652 9.342 -0.353 1.00 0.00 H new ATOM 0 HA CYS A 31 4.220 7.937 0.474 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.303 6.408 -1.405 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.101 8.044 -2.000 1.00 0.00 H new ATOM 0 HG CYS A 31 7.276 6.817 -1.862 1.00 0.00 H new ATOM 579 N ASP A 32 5.817 6.590 1.789 1.00 0.00 N ATOM 580 CA ASP A 32 6.695 5.717 2.559 1.00 0.00 C ATOM 581 C ASP A 32 5.969 4.439 2.967 1.00 0.00 C ATOM 582 O ASP A 32 4.740 4.371 2.926 1.00 0.00 O ATOM 583 CB ASP A 32 7.210 6.444 3.802 1.00 0.00 C ATOM 584 CG ASP A 32 8.498 7.199 3.539 1.00 0.00 C ATOM 585 OD1 ASP A 32 8.474 8.150 2.731 1.00 0.00 O ATOM 586 OD2 ASP A 32 9.532 6.838 4.141 1.00 0.00 O ATOM 0 H ASP A 32 4.952 6.844 2.265 1.00 0.00 H new ATOM 0 HA ASP A 32 7.542 5.447 1.928 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.449 7.141 4.153 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.373 5.721 4.601 1.00 0.00 H new ATOM 591 N ILE A 33 6.737 3.428 3.358 1.00 0.00 N ATOM 592 CA ILE A 33 6.167 2.152 3.773 1.00 0.00 C ATOM 593 C ILE A 33 7.006 1.505 4.869 1.00 0.00 C ATOM 594 O ILE A 33 8.098 0.998 4.610 1.00 0.00 O ATOM 595 CB ILE A 33 6.050 1.176 2.587 1.00 0.00 C ATOM 596 CG1 ILE A 33 5.139 1.759 1.506 1.00 0.00 C ATOM 597 CG2 ILE A 33 5.524 -0.171 3.060 1.00 0.00 C ATOM 598 CD1 ILE A 33 4.930 0.834 0.327 1.00 0.00 C ATOM 0 H ILE A 33 7.756 3.467 3.396 1.00 0.00 H new ATOM 0 HA ILE A 33 5.170 2.363 4.160 1.00 0.00 H new ATOM 0 HB ILE A 33 7.041 1.028 2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.171 1.996 1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.565 2.697 1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.447 -0.850 2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.208 -0.590 3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.540 -0.040 3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.274 1.313 -0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.891 0.617 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.475 -0.095 0.670 1.00 0.00 H new ATOM 610 N ILE A 34 6.488 1.524 6.092 1.00 0.00 N ATOM 611 CA ILE A 34 7.189 0.936 7.227 1.00 0.00 C ATOM 612 C ILE A 34 6.208 0.328 8.224 1.00 0.00 C ATOM 613 O ILE A 34 5.007 0.593 8.170 1.00 0.00 O ATOM 614 CB ILE A 34 8.060 1.979 7.952 1.00 0.00 C ATOM 615 CG1 ILE A 34 8.835 2.822 6.938 1.00 0.00 C ATOM 616 CG2 ILE A 34 9.014 1.292 8.918 1.00 0.00 C ATOM 617 CD1 ILE A 34 9.420 4.088 7.526 1.00 0.00 C ATOM 0 H ILE A 34 5.586 1.940 6.323 1.00 0.00 H new ATOM 0 HA ILE A 34 7.832 0.151 6.829 1.00 0.00 H new ATOM 0 HB ILE A 34 7.409 2.641 8.523 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.641 2.220 6.518 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.171 3.086 6.115 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.623 2.042 9.423 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.442 0.731 9.657 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.661 0.610 8.367 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.956 4.636 6.751 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.617 4.710 7.921 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.109 3.831 8.330 1.00 0.00 H new ATOM 629 N LYS A 35 6.728 -0.488 9.135 1.00 0.00 N ATOM 630 CA LYS A 35 5.900 -1.133 10.147 1.00 0.00 C ATOM 631 C LYS A 35 4.525 -1.480 9.585 1.00 0.00 C ATOM 632 O LYS A 35 3.500 -1.085 10.138 1.00 0.00 O ATOM 633 CB LYS A 35 5.748 -0.221 11.367 1.00 0.00 C ATOM 634 CG LYS A 35 6.952 -0.240 12.294 1.00 0.00 C ATOM 635 CD LYS A 35 6.955 0.959 13.227 1.00 0.00 C ATOM 636 CE LYS A 35 8.286 1.098 13.950 1.00 0.00 C ATOM 637 NZ LYS A 35 9.408 1.351 13.003 1.00 0.00 N ATOM 0 H LYS A 35 7.720 -0.718 9.193 1.00 0.00 H new ATOM 0 HA LYS A 35 6.393 -2.057 10.450 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.577 0.801 11.028 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.863 -0.523 11.928 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.947 -1.159 12.880 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.868 -0.245 11.703 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.753 1.866 12.657 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.152 0.856 13.957 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.226 1.916 14.668 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.488 0.190 14.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.216 1.752 13.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.693 0.456 12.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.099 2.021 12.270 1.00 0.00 H new ATOM 651 N ASN A 36 4.512 -2.223 8.483 1.00 0.00 N ATOM 652 CA ASN A 36 3.263 -2.625 7.846 1.00 0.00 C ATOM 653 C ASN A 36 2.314 -1.437 7.714 1.00 0.00 C ATOM 654 O ASN A 36 1.117 -1.553 7.981 1.00 0.00 O ATOM 655 CB ASN A 36 2.593 -3.740 8.651 1.00 0.00 C ATOM 656 CG ASN A 36 3.599 -4.651 9.326 1.00 0.00 C ATOM 657 OD1 ASN A 36 4.101 -5.598 8.719 1.00 0.00 O ATOM 658 ND2 ASN A 36 3.899 -4.369 10.588 1.00 0.00 N ATOM 0 H ASN A 36 5.352 -2.559 8.013 1.00 0.00 H new ATOM 0 HA ASN A 36 3.495 -2.995 6.847 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.943 -3.299 9.406 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.959 -4.331 7.990 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.570 -4.947 11.094 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.459 -3.574 11.052 1.00 0.00 H new ATOM 665 N TYR A 37 2.855 -0.298 7.299 1.00 0.00 N ATOM 666 CA TYR A 37 2.058 0.911 7.132 1.00 0.00 C ATOM 667 C TYR A 37 2.664 1.822 6.069 1.00 0.00 C ATOM 668 O TYR A 37 3.873 1.809 5.840 1.00 0.00 O ATOM 669 CB TYR A 37 1.948 1.662 8.460 1.00 0.00 C ATOM 670 CG TYR A 37 3.148 2.530 8.766 1.00 0.00 C ATOM 671 CD1 TYR A 37 3.440 3.644 7.988 1.00 0.00 C ATOM 672 CD2 TYR A 37 3.989 2.237 9.832 1.00 0.00 C ATOM 673 CE1 TYR A 37 4.536 4.439 8.263 1.00 0.00 C ATOM 674 CE2 TYR A 37 5.086 3.027 10.115 1.00 0.00 C ATOM 675 CZ TYR A 37 5.355 4.127 9.328 1.00 0.00 C ATOM 676 OH TYR A 37 6.448 4.917 9.606 1.00 0.00 O ATOM 0 H TYR A 37 3.843 -0.186 7.072 1.00 0.00 H new ATOM 0 HA TYR A 37 1.061 0.615 6.805 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.054 2.286 8.442 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.817 0.940 9.266 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.800 3.892 7.155 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.781 1.376 10.450 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.750 5.300 7.647 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.729 2.785 10.948 1.00 0.00 H new ATOM 0 HH TYR A 37 6.919 4.560 10.388 1.00 0.00 H new ATOM 686 N GLY A 38 1.814 2.614 5.422 1.00 0.00 N ATOM 687 CA GLY A 38 2.283 3.520 4.391 1.00 0.00 C ATOM 688 C GLY A 38 1.688 4.908 4.524 1.00 0.00 C ATOM 689 O GLY A 38 0.508 5.057 4.844 1.00 0.00 O ATOM 0 H GLY A 38 0.809 2.644 5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.370 3.588 4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.031 3.113 3.412 1.00 0.00 H new ATOM 693 N PHE A 39 2.505 5.927 4.280 1.00 0.00 N ATOM 694 CA PHE A 39 2.053 7.310 4.378 1.00 0.00 C ATOM 695 C PHE A 39 2.073 7.986 3.010 1.00 0.00 C ATOM 696 O PHE A 39 3.116 8.071 2.362 1.00 0.00 O ATOM 697 CB PHE A 39 2.933 8.089 5.357 1.00 0.00 C ATOM 698 CG PHE A 39 2.769 7.656 6.786 1.00 0.00 C ATOM 699 CD1 PHE A 39 1.509 7.426 7.313 1.00 0.00 C ATOM 700 CD2 PHE A 39 3.875 7.480 7.601 1.00 0.00 C ATOM 701 CE1 PHE A 39 1.354 7.027 8.628 1.00 0.00 C ATOM 702 CE2 PHE A 39 3.727 7.080 8.916 1.00 0.00 C ATOM 703 CZ PHE A 39 2.465 6.855 9.430 1.00 0.00 C ATOM 0 H PHE A 39 3.484 5.821 4.013 1.00 0.00 H new ATOM 0 HA PHE A 39 1.028 7.306 4.747 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.977 7.971 5.068 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.699 9.151 5.278 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.637 7.560 6.690 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.864 7.657 7.205 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.366 6.850 9.027 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.597 6.944 9.541 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.347 6.545 10.458 1.00 0.00 H new ATOM 713 N VAL A 40 0.911 8.465 2.576 1.00 0.00 N ATOM 714 CA VAL A 40 0.794 9.134 1.286 1.00 0.00 C ATOM 715 C VAL A 40 0.293 10.565 1.453 1.00 0.00 C ATOM 716 O VAL A 40 -0.712 10.809 2.121 1.00 0.00 O ATOM 717 CB VAL A 40 -0.160 8.375 0.345 1.00 0.00 C ATOM 718 CG1 VAL A 40 -0.318 9.121 -0.971 1.00 0.00 C ATOM 719 CG2 VAL A 40 0.342 6.959 0.108 1.00 0.00 C ATOM 0 H VAL A 40 0.038 8.402 3.099 1.00 0.00 H new ATOM 0 HA VAL A 40 1.791 9.150 0.846 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.139 8.314 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.996 8.569 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.726 10.114 -0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.654 9.215 -1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.344 6.437 -0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.332 6.995 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.398 6.429 1.059 1.00 0.00 H new ATOM 729 N HIS A 41 1.001 11.508 0.840 1.00 0.00 N ATOM 730 CA HIS A 41 0.628 12.916 0.919 1.00 0.00 C ATOM 731 C HIS A 41 0.085 13.411 -0.418 1.00 0.00 C ATOM 732 O HIS A 41 0.848 13.693 -1.343 1.00 0.00 O ATOM 733 CB HIS A 41 1.832 13.762 1.338 1.00 0.00 C ATOM 734 CG HIS A 41 2.564 13.214 2.524 1.00 0.00 C ATOM 735 ND1 HIS A 41 3.003 11.909 2.601 1.00 0.00 N ATOM 736 CD2 HIS A 41 2.937 13.804 3.684 1.00 0.00 C ATOM 737 CE1 HIS A 41 3.611 11.720 3.758 1.00 0.00 C ATOM 738 NE2 HIS A 41 3.585 12.854 4.434 1.00 0.00 N ATOM 0 H HIS A 41 1.836 11.323 0.283 1.00 0.00 H new ATOM 0 HA HIS A 41 -0.156 13.016 1.669 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.523 13.838 0.498 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.494 14.773 1.565 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.758 14.831 3.967 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.054 10.794 4.094 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.982 13.000 5.362 1.00 0.00 H new ATOM 746 N ILE A 42 -1.236 13.512 -0.514 1.00 0.00 N ATOM 747 CA ILE A 42 -1.880 13.973 -1.738 1.00 0.00 C ATOM 748 C ILE A 42 -1.698 15.475 -1.923 1.00 0.00 C ATOM 749 O ILE A 42 -1.293 16.179 -0.999 1.00 0.00 O ATOM 750 CB ILE A 42 -3.385 13.644 -1.740 1.00 0.00 C ATOM 751 CG1 ILE A 42 -3.934 13.677 -3.167 1.00 0.00 C ATOM 752 CG2 ILE A 42 -4.141 14.622 -0.853 1.00 0.00 C ATOM 753 CD1 ILE A 42 -5.235 12.923 -3.332 1.00 0.00 C ATOM 0 H ILE A 42 -1.882 13.281 0.241 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.401 13.448 -2.564 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.524 12.639 -1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.084 14.714 -3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.191 13.255 -3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.203 14.377 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.764 14.554 0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.999 15.636 -1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.565 12.989 -4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.086 11.877 -3.065 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.993 13.359 -2.681 1.00 0.00 H new ATOM 765 N GLU A 43 -2.003 15.959 -3.123 1.00 0.00 N ATOM 766 CA GLU A 43 -1.874 17.379 -3.428 1.00 0.00 C ATOM 767 C GLU A 43 -2.918 18.195 -2.671 1.00 0.00 C ATOM 768 O GLU A 43 -2.595 18.902 -1.716 1.00 0.00 O ATOM 769 CB GLU A 43 -2.020 17.615 -4.933 1.00 0.00 C ATOM 770 CG GLU A 43 -2.504 19.011 -5.286 1.00 0.00 C ATOM 771 CD GLU A 43 -2.075 19.444 -6.675 1.00 0.00 C ATOM 772 OE1 GLU A 43 -0.868 19.350 -6.978 1.00 0.00 O ATOM 773 OE2 GLU A 43 -2.947 19.876 -7.458 1.00 0.00 O ATOM 0 H GLU A 43 -2.341 15.389 -3.899 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.883 17.704 -3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.058 17.441 -5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.718 16.884 -5.341 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.592 19.042 -5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.120 19.721 -4.553 1.00 0.00 H new ATOM 780 N ASP A 44 -4.169 18.093 -3.105 1.00 0.00 N ATOM 781 CA ASP A 44 -5.261 18.820 -2.469 1.00 0.00 C ATOM 782 C ASP A 44 -6.166 17.871 -1.690 1.00 0.00 C ATOM 783 O ASP A 44 -6.348 16.715 -2.073 1.00 0.00 O ATOM 784 CB ASP A 44 -6.078 19.577 -3.518 1.00 0.00 C ATOM 785 CG ASP A 44 -6.507 18.688 -4.669 1.00 0.00 C ATOM 786 OD1 ASP A 44 -5.675 17.884 -5.139 1.00 0.00 O ATOM 787 OD2 ASP A 44 -7.673 18.798 -5.101 1.00 0.00 O ATOM 0 H ASP A 44 -4.452 17.514 -3.895 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.828 19.536 -1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.961 20.007 -3.046 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.487 20.408 -3.905 1.00 0.00 H new ATOM 792 N LYS A 45 -6.731 18.366 -0.594 1.00 0.00 N ATOM 793 CA LYS A 45 -7.617 17.563 0.240 1.00 0.00 C ATOM 794 C LYS A 45 -8.752 16.969 -0.587 1.00 0.00 C ATOM 795 O LYS A 45 -8.935 15.752 -0.627 1.00 0.00 O ATOM 796 CB LYS A 45 -8.190 18.412 1.377 1.00 0.00 C ATOM 797 CG LYS A 45 -8.934 17.604 2.425 1.00 0.00 C ATOM 798 CD LYS A 45 -9.881 18.475 3.233 1.00 0.00 C ATOM 799 CE LYS A 45 -11.146 18.796 2.453 1.00 0.00 C ATOM 800 NZ LYS A 45 -12.200 17.763 2.655 1.00 0.00 N ATOM 0 H LYS A 45 -6.591 19.320 -0.263 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.034 16.746 0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.377 18.955 1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.866 19.157 0.957 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.497 16.807 1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.218 17.127 3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.144 17.966 4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.378 19.402 3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.527 19.769 2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.909 18.870 1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.543 17.432 1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.803 16.961 3.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.991 18.174 3.190 1.00 0.00 H new ATOM 814 N THR A 46 -9.513 17.836 -1.248 1.00 0.00 N ATOM 815 CA THR A 46 -10.630 17.397 -2.075 1.00 0.00 C ATOM 816 C THR A 46 -10.266 16.153 -2.876 1.00 0.00 C ATOM 817 O THR A 46 -11.130 15.341 -3.207 1.00 0.00 O ATOM 818 CB THR A 46 -11.080 18.506 -3.046 1.00 0.00 C ATOM 819 OG1 THR A 46 -11.843 19.493 -2.343 1.00 0.00 O ATOM 820 CG2 THR A 46 -11.913 17.927 -4.179 1.00 0.00 C ATOM 0 H THR A 46 -9.376 18.847 -1.226 1.00 0.00 H new ATOM 0 HA THR A 46 -11.451 17.162 -1.398 1.00 0.00 H new ATOM 0 HB THR A 46 -10.190 18.970 -3.470 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.124 20.195 -2.967 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.219 18.728 -4.852 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.320 17.197 -4.730 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.797 17.440 -3.768 1.00 0.00 H new ATOM 828 N ALA A 47 -8.982 16.008 -3.185 1.00 0.00 N ATOM 829 CA ALA A 47 -8.503 14.861 -3.945 1.00 0.00 C ATOM 830 C ALA A 47 -8.477 13.603 -3.083 1.00 0.00 C ATOM 831 O ALA A 47 -8.818 12.515 -3.546 1.00 0.00 O ATOM 832 CB ALA A 47 -7.120 15.143 -4.512 1.00 0.00 C ATOM 0 H ALA A 47 -8.254 16.672 -2.920 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.194 14.690 -4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.775 14.277 -5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.166 16.011 -5.170 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.426 15.343 -3.696 1.00 0.00 H new ATOM 838 N ALA A 48 -8.070 13.760 -1.828 1.00 0.00 N ATOM 839 CA ALA A 48 -8.001 12.637 -0.901 1.00 0.00 C ATOM 840 C ALA A 48 -9.361 11.965 -0.750 1.00 0.00 C ATOM 841 O ALA A 48 -9.484 10.751 -0.908 1.00 0.00 O ATOM 842 CB ALA A 48 -7.487 13.102 0.454 1.00 0.00 C ATOM 0 H ALA A 48 -7.783 14.654 -1.430 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.306 11.903 -1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.441 12.253 1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.491 13.529 0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.161 13.857 0.859 1.00 0.00 H new ATOM 848 N GLU A 49 -10.379 12.763 -0.444 1.00 0.00 N ATOM 849 CA GLU A 49 -11.731 12.243 -0.271 1.00 0.00 C ATOM 850 C GLU A 49 -12.126 11.353 -1.446 1.00 0.00 C ATOM 851 O GLU A 49 -12.892 10.402 -1.288 1.00 0.00 O ATOM 852 CB GLU A 49 -12.730 13.393 -0.129 1.00 0.00 C ATOM 853 CG GLU A 49 -12.791 13.976 1.273 1.00 0.00 C ATOM 854 CD GLU A 49 -14.057 14.774 1.518 1.00 0.00 C ATOM 855 OE1 GLU A 49 -15.121 14.152 1.721 1.00 0.00 O ATOM 856 OE2 GLU A 49 -13.984 16.020 1.506 1.00 0.00 O ATOM 0 H GLU A 49 -10.294 13.771 -0.311 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.748 11.643 0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.464 14.183 -0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.722 13.038 -0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.729 13.168 2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.925 14.618 1.434 1.00 0.00 H new ATOM 863 N ASP A 50 -11.599 11.670 -2.623 1.00 0.00 N ATOM 864 CA ASP A 50 -11.896 10.900 -3.826 1.00 0.00 C ATOM 865 C ASP A 50 -11.203 9.542 -3.786 1.00 0.00 C ATOM 866 O ASP A 50 -11.834 8.506 -3.996 1.00 0.00 O ATOM 867 CB ASP A 50 -11.460 11.673 -5.072 1.00 0.00 C ATOM 868 CG ASP A 50 -12.557 12.571 -5.610 1.00 0.00 C ATOM 869 OD1 ASP A 50 -13.665 12.060 -5.875 1.00 0.00 O ATOM 870 OD2 ASP A 50 -12.307 13.784 -5.765 1.00 0.00 O ATOM 0 H ASP A 50 -10.964 12.455 -2.770 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.973 10.737 -3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.585 12.277 -4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.159 10.968 -5.847 1.00 0.00 H new ATOM 875 N ALA A 51 -9.902 9.554 -3.516 1.00 0.00 N ATOM 876 CA ALA A 51 -9.124 8.323 -3.448 1.00 0.00 C ATOM 877 C ALA A 51 -9.442 7.543 -2.178 1.00 0.00 C ATOM 878 O ALA A 51 -9.959 6.426 -2.237 1.00 0.00 O ATOM 879 CB ALA A 51 -7.637 8.634 -3.520 1.00 0.00 C ATOM 0 H ALA A 51 -9.364 10.403 -3.341 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.396 7.703 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.068 7.706 -3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.417 9.143 -4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.359 9.277 -2.685 1.00 0.00 H new ATOM 885 N ILE A 52 -9.130 8.136 -1.030 1.00 0.00 N ATOM 886 CA ILE A 52 -9.384 7.495 0.254 1.00 0.00 C ATOM 887 C ILE A 52 -10.661 6.663 0.211 1.00 0.00 C ATOM 888 O ILE A 52 -10.630 5.449 0.417 1.00 0.00 O ATOM 889 CB ILE A 52 -9.498 8.532 1.387 1.00 0.00 C ATOM 890 CG1 ILE A 52 -8.152 9.221 1.616 1.00 0.00 C ATOM 891 CG2 ILE A 52 -9.982 7.866 2.667 1.00 0.00 C ATOM 892 CD1 ILE A 52 -8.214 10.353 2.617 1.00 0.00 C ATOM 0 H ILE A 52 -8.701 9.059 -0.963 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.535 6.841 0.454 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.227 9.288 1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.429 8.482 1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.785 9.607 0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.058 8.611 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.961 7.417 2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.275 7.092 2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.224 10.795 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.912 11.112 2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -8.551 9.969 3.580 1.00 0.00 H new ATOM 904 N ARG A 53 -11.782 7.323 -0.061 1.00 0.00 N ATOM 905 CA ARG A 53 -13.070 6.644 -0.132 1.00 0.00 C ATOM 906 C ARG A 53 -12.932 5.286 -0.815 1.00 0.00 C ATOM 907 O ARG A 53 -13.167 4.245 -0.202 1.00 0.00 O ATOM 908 CB ARG A 53 -14.084 7.505 -0.887 1.00 0.00 C ATOM 909 CG ARG A 53 -15.488 6.923 -0.901 1.00 0.00 C ATOM 910 CD ARG A 53 -16.543 8.015 -0.974 1.00 0.00 C ATOM 911 NE ARG A 53 -17.828 7.504 -1.445 1.00 0.00 N ATOM 912 CZ ARG A 53 -18.895 8.269 -1.642 1.00 0.00 C ATOM 913 NH1 ARG A 53 -18.833 9.573 -1.410 1.00 0.00 N ATOM 914 NH2 ARG A 53 -20.029 7.730 -2.072 1.00 0.00 N ATOM 0 H ARG A 53 -11.824 8.327 -0.236 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.425 6.485 0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.115 8.496 -0.434 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -13.744 7.635 -1.914 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.597 6.253 -1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -15.644 6.324 -0.003 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -16.670 8.463 0.012 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -16.201 8.806 -1.641 1.00 0.00 H new ATOM 0 HE ARG A 53 -17.910 6.505 -1.633 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -17.964 9.991 -1.079 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -19.655 10.158 -1.562 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -20.081 6.727 -2.251 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -20.848 8.318 -2.223 1.00 0.00 H new ATOM 928 N ASN A 54 -12.549 5.306 -2.087 1.00 0.00 N ATOM 929 CA ASN A 54 -12.380 4.076 -2.854 1.00 0.00 C ATOM 930 C ASN A 54 -11.231 3.242 -2.297 1.00 0.00 C ATOM 931 O ASN A 54 -11.441 2.148 -1.771 1.00 0.00 O ATOM 932 CB ASN A 54 -12.124 4.401 -4.327 1.00 0.00 C ATOM 933 CG ASN A 54 -13.383 4.833 -5.052 1.00 0.00 C ATOM 934 OD1 ASN A 54 -14.089 4.011 -5.637 1.00 0.00 O ATOM 935 ND2 ASN A 54 -13.672 6.128 -5.016 1.00 0.00 N ATOM 0 H ASN A 54 -12.350 6.159 -2.609 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.299 3.496 -2.772 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.378 5.193 -4.397 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.706 3.525 -4.822 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.508 6.477 -5.485 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.058 6.774 -4.519 1.00 0.00 H new ATOM 942 N LEU A 55 -10.016 3.765 -2.416 1.00 0.00 N ATOM 943 CA LEU A 55 -8.832 3.068 -1.925 1.00 0.00 C ATOM 944 C LEU A 55 -9.150 2.280 -0.658 1.00 0.00 C ATOM 945 O LEU A 55 -8.618 1.191 -0.442 1.00 0.00 O ATOM 946 CB LEU A 55 -7.707 4.067 -1.648 1.00 0.00 C ATOM 947 CG LEU A 55 -7.180 4.838 -2.859 1.00 0.00 C ATOM 948 CD1 LEU A 55 -5.799 5.405 -2.572 1.00 0.00 C ATOM 949 CD2 LEU A 55 -7.144 3.940 -4.088 1.00 0.00 C ATOM 0 H LEU A 55 -9.824 4.669 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.508 2.368 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.061 4.787 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.874 3.529 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.857 5.669 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.441 5.950 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.854 6.082 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.111 4.590 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.767 4.505 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.490 3.089 -3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.150 3.582 -4.307 1.00 0.00 H new ATOM 961 N HIS A 56 -10.023 2.837 0.175 1.00 0.00 N ATOM 962 CA HIS A 56 -10.415 2.184 1.420 1.00 0.00 C ATOM 963 C HIS A 56 -10.858 0.747 1.163 1.00 0.00 C ATOM 964 O HIS A 56 -11.764 0.498 0.367 1.00 0.00 O ATOM 965 CB HIS A 56 -11.543 2.965 2.096 1.00 0.00 C ATOM 966 CG HIS A 56 -11.585 2.788 3.583 1.00 0.00 C ATOM 967 ND1 HIS A 56 -10.478 2.453 4.333 1.00 0.00 N ATOM 968 CD2 HIS A 56 -12.611 2.903 4.459 1.00 0.00 C ATOM 969 CE1 HIS A 56 -10.821 2.368 5.606 1.00 0.00 C ATOM 970 NE2 HIS A 56 -12.110 2.637 5.709 1.00 0.00 N ATOM 0 H HIS A 56 -10.472 3.738 0.011 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.549 2.166 2.081 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.428 4.025 1.867 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.497 2.649 1.673 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.633 3.157 4.219 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.160 2.121 6.423 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -12.646 2.646 6.577 1.00 0.00 H new ATOM 978 N HIS A 57 -10.213 -0.196 1.842 1.00 0.00 N ATOM 979 CA HIS A 57 -10.540 -1.609 1.688 1.00 0.00 C ATOM 980 C HIS A 57 -10.287 -2.072 0.256 1.00 0.00 C ATOM 981 O HIS A 57 -11.015 -2.913 -0.272 1.00 0.00 O ATOM 982 CB HIS A 57 -12.000 -1.861 2.067 1.00 0.00 C ATOM 983 CG HIS A 57 -12.201 -2.127 3.527 1.00 0.00 C ATOM 984 ND1 HIS A 57 -12.890 -3.222 4.005 1.00 0.00 N ATOM 985 CD2 HIS A 57 -11.799 -1.433 4.618 1.00 0.00 C ATOM 986 CE1 HIS A 57 -12.904 -3.189 5.325 1.00 0.00 C ATOM 987 NE2 HIS A 57 -12.248 -2.114 5.722 1.00 0.00 N ATOM 0 H HIS A 57 -9.461 -0.007 2.504 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.895 -2.181 2.356 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.597 -0.996 1.778 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.374 -2.711 1.496 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -11.231 -0.515 4.619 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.372 -3.917 5.970 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -12.099 -1.835 6.692 1.00 0.00 H new ATOM 995 N TYR A 58 -9.253 -1.517 -0.366 1.00 0.00 N ATOM 996 CA TYR A 58 -8.907 -1.870 -1.738 1.00 0.00 C ATOM 997 C TYR A 58 -8.147 -3.192 -1.784 1.00 0.00 C ATOM 998 O TYR A 58 -7.126 -3.359 -1.116 1.00 0.00 O ATOM 999 CB TYR A 58 -8.066 -0.763 -2.375 1.00 0.00 C ATOM 1000 CG TYR A 58 -7.537 -1.117 -3.746 1.00 0.00 C ATOM 1001 CD1 TYR A 58 -6.514 -2.045 -3.899 1.00 0.00 C ATOM 1002 CD2 TYR A 58 -8.060 -0.524 -4.889 1.00 0.00 C ATOM 1003 CE1 TYR A 58 -6.027 -2.372 -5.150 1.00 0.00 C ATOM 1004 CE2 TYR A 58 -7.580 -0.846 -6.144 1.00 0.00 C ATOM 1005 CZ TYR A 58 -6.563 -1.769 -6.269 1.00 0.00 C ATOM 1006 OH TYR A 58 -6.082 -2.093 -7.517 1.00 0.00 O ATOM 0 H TYR A 58 -8.640 -0.821 0.058 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.833 -1.983 -2.302 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.669 0.142 -2.450 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.226 -0.533 -1.719 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.092 -2.519 -3.025 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.855 0.201 -4.795 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.231 -3.095 -5.251 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.999 -0.377 -7.022 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.567 -1.581 -8.198 1.00 0.00 H new ATOM 1016 N LYS A 59 -8.652 -4.129 -2.579 1.00 0.00 N ATOM 1017 CA LYS A 59 -8.022 -5.437 -2.717 1.00 0.00 C ATOM 1018 C LYS A 59 -6.622 -5.307 -3.308 1.00 0.00 C ATOM 1019 O LYS A 59 -6.463 -5.058 -4.504 1.00 0.00 O ATOM 1020 CB LYS A 59 -8.878 -6.348 -3.600 1.00 0.00 C ATOM 1021 CG LYS A 59 -8.646 -7.828 -3.352 1.00 0.00 C ATOM 1022 CD LYS A 59 -9.796 -8.669 -3.881 1.00 0.00 C ATOM 1023 CE LYS A 59 -9.477 -10.155 -3.812 1.00 0.00 C ATOM 1024 NZ LYS A 59 -8.552 -10.575 -4.900 1.00 0.00 N ATOM 0 H LYS A 59 -9.496 -4.007 -3.138 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.938 -5.879 -1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.930 -6.120 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.669 -6.126 -4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.717 -8.137 -3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.527 -8.004 -2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.696 -8.462 -3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.009 -8.389 -4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.029 -10.386 -2.845 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.402 -10.728 -3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.373 -11.597 -4.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.982 -10.363 -5.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.654 -10.059 -4.810 1.00 0.00 H new ATOM 1038 N LEU A 60 -5.610 -5.479 -2.465 1.00 0.00 N ATOM 1039 CA LEU A 60 -4.223 -5.382 -2.905 1.00 0.00 C ATOM 1040 C LEU A 60 -3.476 -6.687 -2.644 1.00 0.00 C ATOM 1041 O LEU A 60 -2.856 -6.860 -1.594 1.00 0.00 O ATOM 1042 CB LEU A 60 -3.519 -4.227 -2.190 1.00 0.00 C ATOM 1043 CG LEU A 60 -2.180 -3.787 -2.783 1.00 0.00 C ATOM 1044 CD1 LEU A 60 -2.346 -3.396 -4.243 1.00 0.00 C ATOM 1045 CD2 LEU A 60 -1.597 -2.631 -1.982 1.00 0.00 C ATOM 0 H LEU A 60 -5.724 -5.686 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.221 -5.192 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.190 -3.368 -2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.357 -4.514 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.487 -4.626 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.383 -3.086 -4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.719 -4.250 -4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.055 -2.572 -4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.644 -2.330 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.288 -1.788 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.441 -2.946 -0.950 1.00 0.00 H new ATOM 1057 N HIS A 61 -3.540 -7.602 -3.606 1.00 0.00 N ATOM 1058 CA HIS A 61 -2.867 -8.890 -3.481 1.00 0.00 C ATOM 1059 C HIS A 61 -3.590 -9.785 -2.479 1.00 0.00 C ATOM 1060 O HIS A 61 -2.966 -10.378 -1.599 1.00 0.00 O ATOM 1061 CB HIS A 61 -1.414 -8.691 -3.050 1.00 0.00 C ATOM 1062 CG HIS A 61 -0.715 -7.592 -3.789 1.00 0.00 C ATOM 1063 ND1 HIS A 61 -0.588 -7.570 -5.162 1.00 0.00 N ATOM 1064 CD2 HIS A 61 -0.105 -6.471 -3.339 1.00 0.00 C ATOM 1065 CE1 HIS A 61 0.072 -6.484 -5.524 1.00 0.00 C ATOM 1066 NE2 HIS A 61 0.376 -5.800 -4.436 1.00 0.00 N ATOM 0 H HIS A 61 -4.051 -7.476 -4.480 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.884 -9.377 -4.456 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.387 -8.474 -1.982 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.868 -9.623 -3.200 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.014 -6.162 -2.308 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.320 -6.204 -6.537 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.885 -4.917 -4.414 1.00 0.00 H new ATOM 1074 N GLY A 62 -4.909 -9.877 -2.618 1.00 0.00 N ATOM 1075 CA GLY A 62 -5.694 -10.700 -1.717 1.00 0.00 C ATOM 1076 C GLY A 62 -5.699 -10.166 -0.298 1.00 0.00 C ATOM 1077 O GLY A 62 -5.717 -10.935 0.663 1.00 0.00 O ATOM 0 H GLY A 62 -5.448 -9.396 -3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.719 -10.758 -2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.297 -11.715 -1.718 1.00 0.00 H new ATOM 1081 N VAL A 63 -5.680 -8.844 -0.166 1.00 0.00 N ATOM 1082 CA VAL A 63 -5.681 -8.207 1.146 1.00 0.00 C ATOM 1083 C VAL A 63 -6.600 -6.990 1.165 1.00 0.00 C ATOM 1084 O VAL A 63 -6.831 -6.358 0.135 1.00 0.00 O ATOM 1085 CB VAL A 63 -4.263 -7.772 1.560 1.00 0.00 C ATOM 1086 CG1 VAL A 63 -3.886 -6.464 0.881 1.00 0.00 C ATOM 1087 CG2 VAL A 63 -4.166 -7.644 3.073 1.00 0.00 C ATOM 0 H VAL A 63 -5.664 -8.193 -0.951 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.048 -8.947 1.857 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.558 -8.538 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.881 -6.172 1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.914 -6.594 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.593 -5.687 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.157 -7.336 3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.881 -6.899 3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.390 -8.606 3.535 1.00 0.00 H new ATOM 1097 N ASN A 64 -7.121 -6.667 2.345 1.00 0.00 N ATOM 1098 CA ASN A 64 -8.015 -5.526 2.499 1.00 0.00 C ATOM 1099 C ASN A 64 -7.345 -4.414 3.300 1.00 0.00 C ATOM 1100 O ASN A 64 -7.525 -4.314 4.513 1.00 0.00 O ATOM 1101 CB ASN A 64 -9.311 -5.956 3.188 1.00 0.00 C ATOM 1102 CG ASN A 64 -10.109 -6.942 2.357 1.00 0.00 C ATOM 1103 OD1 ASN A 64 -10.077 -8.148 2.604 1.00 0.00 O ATOM 1104 ND2 ASN A 64 -10.829 -6.433 1.365 1.00 0.00 N ATOM 0 H ASN A 64 -6.939 -7.180 3.208 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.249 -5.144 1.506 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.074 -6.406 4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.922 -5.076 3.388 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.386 -7.048 0.771 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.826 -5.427 1.197 1.00 0.00 H new ATOM 1111 N ILE A 65 -6.571 -3.581 2.612 1.00 0.00 N ATOM 1112 CA ILE A 65 -5.875 -2.475 3.258 1.00 0.00 C ATOM 1113 C ILE A 65 -6.860 -1.523 3.930 1.00 0.00 C ATOM 1114 O ILE A 65 -8.070 -1.622 3.729 1.00 0.00 O ATOM 1115 CB ILE A 65 -5.018 -1.684 2.253 1.00 0.00 C ATOM 1116 CG1 ILE A 65 -5.914 -0.944 1.257 1.00 0.00 C ATOM 1117 CG2 ILE A 65 -4.062 -2.616 1.523 1.00 0.00 C ATOM 1118 CD1 ILE A 65 -5.202 0.160 0.508 1.00 0.00 C ATOM 0 H ILE A 65 -6.410 -3.651 1.607 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.222 -2.912 4.014 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.429 -0.948 2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.314 -1.660 0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.764 -0.520 1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.463 -2.042 0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.405 -3.102 2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.632 -3.373 0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.898 0.641 -0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.826 0.897 1.217 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.368 -0.261 -0.054 1.00 0.00 H new ATOM 1130 N ASN A 66 -6.332 -0.600 4.727 1.00 0.00 N ATOM 1131 CA ASN A 66 -7.164 0.372 5.427 1.00 0.00 C ATOM 1132 C ASN A 66 -6.652 1.791 5.200 1.00 0.00 C ATOM 1133 O ASN A 66 -5.567 2.151 5.657 1.00 0.00 O ATOM 1134 CB ASN A 66 -7.196 0.062 6.925 1.00 0.00 C ATOM 1135 CG ASN A 66 -7.655 -1.354 7.213 1.00 0.00 C ATOM 1136 OD1 ASN A 66 -8.810 -1.705 6.971 1.00 0.00 O ATOM 1137 ND2 ASN A 66 -6.750 -2.176 7.732 1.00 0.00 N ATOM 0 H ASN A 66 -5.332 -0.505 4.904 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.175 0.302 5.027 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.201 0.211 7.345 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.862 0.766 7.425 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.001 -3.141 7.946 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.804 -1.842 7.916 1.00 0.00 H new ATOM 1144 N VAL A 67 -7.441 2.593 4.492 1.00 0.00 N ATOM 1145 CA VAL A 67 -7.068 3.973 4.206 1.00 0.00 C ATOM 1146 C VAL A 67 -7.862 4.947 5.070 1.00 0.00 C ATOM 1147 O VAL A 67 -9.088 4.873 5.138 1.00 0.00 O ATOM 1148 CB VAL A 67 -7.294 4.319 2.722 1.00 0.00 C ATOM 1149 CG1 VAL A 67 -6.621 5.638 2.373 1.00 0.00 C ATOM 1150 CG2 VAL A 67 -6.783 3.198 1.830 1.00 0.00 C ATOM 0 H VAL A 67 -8.342 2.311 4.106 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.007 4.069 4.437 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.365 4.429 2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.791 5.866 1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.039 6.434 2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.550 5.560 2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.951 3.459 0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.716 3.054 2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.315 2.276 2.063 1.00 0.00 H new ATOM 1160 N GLU A 68 -7.153 5.858 5.729 1.00 0.00 N ATOM 1161 CA GLU A 68 -7.792 6.847 6.589 1.00 0.00 C ATOM 1162 C GLU A 68 -6.880 8.051 6.805 1.00 0.00 C ATOM 1163 O GLU A 68 -5.677 7.901 7.020 1.00 0.00 O ATOM 1164 CB GLU A 68 -8.158 6.222 7.937 1.00 0.00 C ATOM 1165 CG GLU A 68 -6.982 5.572 8.646 1.00 0.00 C ATOM 1166 CD GLU A 68 -7.329 5.108 10.047 1.00 0.00 C ATOM 1167 OE1 GLU A 68 -7.360 5.958 10.962 1.00 0.00 O ATOM 1168 OE2 GLU A 68 -7.569 3.896 10.230 1.00 0.00 O ATOM 0 H GLU A 68 -6.137 5.932 5.684 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.702 7.187 6.095 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.580 6.992 8.583 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.936 5.475 7.782 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.635 4.720 8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.156 6.281 8.696 1.00 0.00 H new ATOM 1175 N ALA A 69 -7.461 9.245 6.746 1.00 0.00 N ATOM 1176 CA ALA A 69 -6.702 10.474 6.937 1.00 0.00 C ATOM 1177 C ALA A 69 -5.921 10.440 8.246 1.00 0.00 C ATOM 1178 O ALA A 69 -6.356 9.832 9.224 1.00 0.00 O ATOM 1179 CB ALA A 69 -7.632 11.678 6.906 1.00 0.00 C ATOM 0 H ALA A 69 -8.455 9.387 6.567 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.986 10.560 6.120 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.052 12.590 7.050 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.141 11.720 5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.370 11.588 7.703 1.00 0.00 H new ATOM 1185 N SER A 70 -4.765 11.096 8.257 1.00 0.00 N ATOM 1186 CA SER A 70 -3.921 11.136 9.446 1.00 0.00 C ATOM 1187 C SER A 70 -4.379 12.234 10.401 1.00 0.00 C ATOM 1188 O SER A 70 -4.791 11.961 11.528 1.00 0.00 O ATOM 1189 CB SER A 70 -2.460 11.364 9.052 1.00 0.00 C ATOM 1190 OG SER A 70 -1.599 11.189 10.163 1.00 0.00 O ATOM 0 H SER A 70 -4.392 11.607 7.457 1.00 0.00 H new ATOM 0 HA SER A 70 -4.008 10.176 9.955 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.181 10.670 8.259 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.341 12.370 8.651 1.00 0.00 H new ATOM 0 HG SER A 70 -0.671 11.338 9.885 1.00 0.00 H new ATOM 1196 N LYS A 71 -4.305 13.478 9.941 1.00 0.00 N ATOM 1197 CA LYS A 71 -4.712 14.620 10.752 1.00 0.00 C ATOM 1198 C LYS A 71 -6.225 14.635 10.949 1.00 0.00 C ATOM 1199 O LYS A 71 -6.983 14.804 9.995 1.00 0.00 O ATOM 1200 CB LYS A 71 -4.260 15.926 10.095 1.00 0.00 C ATOM 1201 CG LYS A 71 -4.406 17.141 10.993 1.00 0.00 C ATOM 1202 CD LYS A 71 -5.769 17.794 10.831 1.00 0.00 C ATOM 1203 CE LYS A 71 -5.875 18.542 9.511 1.00 0.00 C ATOM 1204 NZ LYS A 71 -7.272 18.564 8.996 1.00 0.00 N ATOM 0 H LYS A 71 -3.967 13.722 9.010 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.236 14.528 11.728 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.217 15.830 9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.840 16.085 9.186 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.265 16.845 12.033 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.625 17.864 10.758 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.547 17.032 10.882 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.944 18.484 11.657 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.521 19.564 9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.224 18.072 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.279 18.946 8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.655 17.597 8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.859 19.164 9.610 1.00 0.00 H new ATOM 1218 N ASN A 72 -6.657 14.457 12.193 1.00 0.00 N ATOM 1219 CA ASN A 72 -8.079 14.451 12.515 1.00 0.00 C ATOM 1220 C ASN A 72 -8.708 15.811 12.226 1.00 0.00 C ATOM 1221 O ASN A 72 -8.553 16.756 13.000 1.00 0.00 O ATOM 1222 CB ASN A 72 -8.289 14.081 13.984 1.00 0.00 C ATOM 1223 CG ASN A 72 -7.335 12.998 14.450 1.00 0.00 C ATOM 1224 OD1 ASN A 72 -6.213 13.408 15.029 1.00 0.00 O flip ATOM 1225 ND2 ASN A 72 -7.605 11.808 14.291 1.00 0.00 N flip ATOM 0 H ASN A 72 -6.043 14.315 12.995 1.00 0.00 H new ATOM 0 HA ASN A 72 -8.565 13.705 11.887 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.156 14.969 14.602 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.315 13.744 14.128 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.480 11.539 13.841 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.954 11.090 14.610 1.00 0.00 H new ATOM 1232 N LYS A 73 -9.418 15.903 11.107 1.00 0.00 N ATOM 1233 CA LYS A 73 -10.073 17.145 10.715 1.00 0.00 C ATOM 1234 C LYS A 73 -11.090 17.579 11.766 1.00 0.00 C ATOM 1235 O LYS A 73 -11.586 16.760 12.539 1.00 0.00 O ATOM 1236 CB LYS A 73 -10.764 16.977 9.360 1.00 0.00 C ATOM 1237 CG LYS A 73 -11.992 16.084 9.411 1.00 0.00 C ATOM 1238 CD LYS A 73 -11.611 14.615 9.471 1.00 0.00 C ATOM 1239 CE LYS A 73 -12.781 13.719 9.094 1.00 0.00 C ATOM 1240 NZ LYS A 73 -13.634 13.397 10.271 1.00 0.00 N ATOM 0 H LYS A 73 -9.555 15.131 10.455 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.309 17.918 10.632 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.054 17.959 8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.052 16.561 8.647 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.594 16.341 10.283 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.611 16.265 8.532 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.776 14.427 8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.271 14.367 10.477 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.385 14.211 8.332 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.404 12.795 8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.420 12.785 9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.064 12.904 10.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.014 14.277 10.675 1.00 0.00 H new ATOM 1254 N SER A 74 -11.397 18.872 11.788 1.00 0.00 N ATOM 1255 CA SER A 74 -12.353 19.415 12.745 1.00 0.00 C ATOM 1256 C SER A 74 -13.389 20.288 12.043 1.00 0.00 C ATOM 1257 O SER A 74 -13.145 20.809 10.955 1.00 0.00 O ATOM 1258 CB SER A 74 -11.627 20.229 13.818 1.00 0.00 C ATOM 1259 OG SER A 74 -10.789 19.402 14.606 1.00 0.00 O ATOM 0 H SER A 74 -10.997 19.563 11.153 1.00 0.00 H new ATOM 0 HA SER A 74 -12.868 18.580 13.219 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.032 21.010 13.345 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.356 20.727 14.457 1.00 0.00 H new ATOM 0 HG SER A 74 -10.335 19.946 15.283 1.00 0.00 H new ATOM 1265 N LYS A 75 -14.549 20.442 12.674 1.00 0.00 N ATOM 1266 CA LYS A 75 -15.623 21.252 12.113 1.00 0.00 C ATOM 1267 C LYS A 75 -15.131 22.657 11.784 1.00 0.00 C ATOM 1268 O LYS A 75 -15.007 23.504 12.668 1.00 0.00 O ATOM 1269 CB LYS A 75 -16.797 21.327 13.091 1.00 0.00 C ATOM 1270 CG LYS A 75 -17.721 20.123 13.027 1.00 0.00 C ATOM 1271 CD LYS A 75 -18.931 20.299 13.929 1.00 0.00 C ATOM 1272 CE LYS A 75 -19.873 19.109 13.837 1.00 0.00 C ATOM 1273 NZ LYS A 75 -19.311 17.904 14.509 1.00 0.00 N ATOM 0 H LYS A 75 -14.769 20.016 13.574 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.957 20.778 11.190 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -16.409 21.423 14.105 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.374 22.228 12.884 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -18.051 19.971 11.999 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.174 19.227 13.322 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -18.602 20.425 14.960 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.464 21.208 13.651 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.829 19.366 14.293 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.070 18.882 12.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.997 17.124 14.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.428 17.623 14.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.115 18.123 15.507 1.00 0.00 H new ATOM 1287 N ALA A 76 -14.853 22.899 10.507 1.00 0.00 N ATOM 1288 CA ALA A 76 -14.378 24.203 10.062 1.00 0.00 C ATOM 1289 C ALA A 76 -15.421 24.900 9.195 1.00 0.00 C ATOM 1290 O ALA A 76 -16.002 24.292 8.297 1.00 0.00 O ATOM 1291 CB ALA A 76 -13.069 24.056 9.301 1.00 0.00 C ATOM 0 H ALA A 76 -14.949 22.209 9.762 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.205 24.820 10.944 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.726 25.038 8.974 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -12.318 23.607 9.951 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.224 23.418 8.431 1.00 0.00 H new ATOM 1297 N SER A 77 -15.653 26.180 9.471 1.00 0.00 N ATOM 1298 CA SER A 77 -16.630 26.959 8.719 1.00 0.00 C ATOM 1299 C SER A 77 -15.986 27.599 7.493 1.00 0.00 C ATOM 1300 O SER A 77 -16.242 28.761 7.179 1.00 0.00 O ATOM 1301 CB SER A 77 -17.245 28.041 9.609 1.00 0.00 C ATOM 1302 OG SER A 77 -18.320 28.690 8.952 1.00 0.00 O ATOM 0 H SER A 77 -15.178 26.699 10.209 1.00 0.00 H new ATOM 0 HA SER A 77 -17.417 26.283 8.384 1.00 0.00 H new ATOM 0 HB2 SER A 77 -17.599 27.595 10.538 1.00 0.00 H new ATOM 0 HB3 SER A 77 -16.483 28.773 9.877 1.00 0.00 H new ATOM 0 HG SER A 77 -17.995 29.107 8.127 1.00 0.00 H new ATOM 1308 N SER A 78 -15.148 26.831 6.803 1.00 0.00 N ATOM 1309 CA SER A 78 -14.463 27.323 5.613 1.00 0.00 C ATOM 1310 C SER A 78 -14.485 26.277 4.503 1.00 0.00 C ATOM 1311 O SER A 78 -14.848 25.123 4.728 1.00 0.00 O ATOM 1312 CB SER A 78 -13.018 27.697 5.949 1.00 0.00 C ATOM 1313 OG SER A 78 -12.534 28.698 5.070 1.00 0.00 O ATOM 0 H SER A 78 -14.927 25.866 7.048 1.00 0.00 H new ATOM 0 HA SER A 78 -14.988 28.211 5.262 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.961 28.053 6.978 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.385 26.812 5.882 1.00 0.00 H new ATOM 0 HG SER A 78 -11.609 28.921 5.306 1.00 0.00 H new ATOM 1319 N GLY A 79 -14.092 26.690 3.302 1.00 0.00 N ATOM 1320 CA GLY A 79 -14.074 25.777 2.173 1.00 0.00 C ATOM 1321 C GLY A 79 -13.071 26.187 1.113 1.00 0.00 C ATOM 1322 O GLY A 79 -13.347 27.030 0.259 1.00 0.00 O ATOM 0 H GLY A 79 -13.786 27.640 3.090 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.836 24.773 2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.069 25.732 1.730 1.00 0.00 H new ATOM 1326 N PRO A 80 -11.874 25.583 1.160 1.00 0.00 N ATOM 1327 CA PRO A 80 -10.802 25.875 0.204 1.00 0.00 C ATOM 1328 C PRO A 80 -11.313 25.969 -1.230 1.00 0.00 C ATOM 1329 O PRO A 80 -10.942 26.877 -1.973 1.00 0.00 O ATOM 1330 CB PRO A 80 -9.856 24.682 0.357 1.00 0.00 C ATOM 1331 CG PRO A 80 -10.058 24.215 1.757 1.00 0.00 C ATOM 1332 CD PRO A 80 -11.476 24.569 2.150 1.00 0.00 C ATOM 0 HA PRO A 80 -10.331 26.838 0.401 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -10.091 23.896 -0.360 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.820 24.973 0.182 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.896 23.140 1.830 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.343 24.691 2.428 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -12.130 23.698 2.115 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.523 24.962 3.166 1.00 0.00 H new ATOM 1340 N SER A 81 -12.168 25.025 -1.611 1.00 0.00 N ATOM 1341 CA SER A 81 -12.728 25.000 -2.957 1.00 0.00 C ATOM 1342 C SER A 81 -14.187 25.446 -2.948 1.00 0.00 C ATOM 1343 O SER A 81 -15.016 24.880 -2.236 1.00 0.00 O ATOM 1344 CB SER A 81 -12.617 23.595 -3.552 1.00 0.00 C ATOM 1345 OG SER A 81 -11.271 23.154 -3.571 1.00 0.00 O ATOM 0 H SER A 81 -12.488 24.268 -1.007 1.00 0.00 H new ATOM 0 HA SER A 81 -12.158 25.695 -3.573 1.00 0.00 H new ATOM 0 HB2 SER A 81 -13.222 22.901 -2.969 1.00 0.00 H new ATOM 0 HB3 SER A 81 -13.018 23.593 -4.566 1.00 0.00 H new ATOM 0 HG SER A 81 -11.227 22.253 -3.954 1.00 0.00 H new ATOM 1351 N SER A 82 -14.492 26.467 -3.743 1.00 0.00 N ATOM 1352 CA SER A 82 -15.850 26.993 -3.823 1.00 0.00 C ATOM 1353 C SER A 82 -16.791 25.974 -4.458 1.00 0.00 C ATOM 1354 O SER A 82 -16.947 25.932 -5.678 1.00 0.00 O ATOM 1355 CB SER A 82 -15.868 28.293 -4.630 1.00 0.00 C ATOM 1356 OG SER A 82 -17.082 28.998 -4.434 1.00 0.00 O ATOM 0 H SER A 82 -13.818 26.946 -4.340 1.00 0.00 H new ATOM 0 HA SER A 82 -16.195 27.197 -2.809 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.027 28.920 -4.334 1.00 0.00 H new ATOM 0 HB3 SER A 82 -15.741 28.069 -5.689 1.00 0.00 H new ATOM 0 HG SER A 82 -17.068 29.825 -4.959 1.00 0.00 H new ATOM 1362 N GLY A 83 -17.417 25.153 -3.620 1.00 0.00 N ATOM 1363 CA GLY A 83 -18.335 24.145 -4.117 1.00 0.00 C ATOM 1364 C GLY A 83 -18.584 23.041 -3.109 1.00 0.00 C ATOM 1365 O GLY A 83 -19.603 23.039 -2.419 1.00 0.00 O ATOM 0 H GLY A 83 -17.305 25.168 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -19.283 24.617 -4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -17.934 23.712 -5.033 1.00 0.00 H new TER 1369 GLY A 83