USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 657 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 Single : A 1 SER N :NH3+ 167:sc=-0.00631 (180deg=-0.196) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0792 USER MOD Single : A 17 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0166) USER MOD Single : A 21 ASN :FLIP amide:sc= -3.56 F(o=-4.3!,f=-3.6) USER MOD Single : A 22 ASN : amide:sc= -0.0979 X(o=-0.098,f=0.19) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -160:sc= -0.0552 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -43:sc= 0.516 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 53 THR OG1 : rot 92:sc= 0.829 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0493 USER MOD Single : A 57 SER OG : rot 180:sc= -0.128 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.595 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -163:sc= -0.226 (180deg=-1.3!) USER MOD Single : A 76 HIS : no HE2:sc= -4.69! C(o=-4.7!,f=-8.9!) USER MOD Single : A 79 SER OG : rot 180:sc= -0.435 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.209 16.982 -1.066 1.00 0.00 N ATOM 2 CA SER A 1 5.169 16.728 -0.030 1.00 0.00 C ATOM 3 C SER A 1 4.022 15.921 -0.642 1.00 0.00 C ATOM 4 O SER A 1 2.865 16.117 -0.326 1.00 0.00 O ATOM 5 CB SER A 1 4.630 18.062 0.489 1.00 0.00 C ATOM 6 OG SER A 1 3.951 18.735 -0.564 1.00 0.00 O ATOM 0 H1 SER A 1 6.872 17.705 -0.722 1.00 0.00 H new ATOM 0 H2 SER A 1 6.727 16.102 -1.261 1.00 0.00 H new ATOM 0 H3 SER A 1 5.754 17.317 -1.939 1.00 0.00 H new ATOM 0 HA SER A 1 5.609 16.166 0.794 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.952 17.893 1.325 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.448 18.678 0.862 1.00 0.00 H new ATOM 0 HG SER A 1 3.603 19.590 -0.235 1.00 0.00 H new ATOM 14 N ASP A 2 4.346 15.021 -1.533 1.00 0.00 N ATOM 15 CA ASP A 2 3.297 14.196 -2.197 1.00 0.00 C ATOM 16 C ASP A 2 2.641 13.255 -1.183 1.00 0.00 C ATOM 17 O ASP A 2 3.253 12.338 -0.670 1.00 0.00 O ATOM 18 CB ASP A 2 3.941 13.381 -3.323 1.00 0.00 C ATOM 19 CG ASP A 2 2.930 12.377 -3.884 1.00 0.00 C ATOM 20 OD1 ASP A 2 2.045 12.800 -4.611 1.00 0.00 O ATOM 21 OD2 ASP A 2 3.056 11.204 -3.577 1.00 0.00 O ATOM 0 H ASP A 2 5.301 14.821 -1.831 1.00 0.00 H new ATOM 0 HA ASP A 2 2.529 14.851 -2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.284 14.047 -4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.819 12.855 -2.947 1.00 0.00 H new ATOM 26 N VAL A 3 1.396 13.507 -0.882 1.00 0.00 N ATOM 27 CA VAL A 3 0.660 12.675 0.110 1.00 0.00 C ATOM 28 C VAL A 3 0.314 11.296 -0.472 1.00 0.00 C ATOM 29 O VAL A 3 -0.110 10.413 0.252 1.00 0.00 O ATOM 30 CB VAL A 3 -0.648 13.416 0.504 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.405 14.925 0.485 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.799 13.087 -0.464 1.00 0.00 C ATOM 0 H VAL A 3 0.850 14.267 -1.289 1.00 0.00 H new ATOM 0 HA VAL A 3 1.293 12.523 0.984 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.931 13.085 1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.322 15.445 0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.382 15.176 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.101 15.232 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.697 13.623 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.523 13.390 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.993 12.015 -0.447 1.00 0.00 H new ATOM 42 N TYR A 4 0.425 11.091 -1.766 1.00 0.00 N ATOM 43 CA TYR A 4 0.007 9.761 -2.315 1.00 0.00 C ATOM 44 C TYR A 4 1.056 8.680 -1.994 1.00 0.00 C ATOM 45 O TYR A 4 0.734 7.616 -1.504 1.00 0.00 O ATOM 46 CB TYR A 4 -0.254 9.878 -3.821 1.00 0.00 C ATOM 47 CG TYR A 4 -1.680 10.305 -4.090 1.00 0.00 C ATOM 48 CD1 TYR A 4 -2.715 9.372 -3.983 1.00 0.00 C ATOM 49 CD2 TYR A 4 -1.962 11.622 -4.476 1.00 0.00 C ATOM 50 CE1 TYR A 4 -4.032 9.750 -4.259 1.00 0.00 C ATOM 51 CE2 TYR A 4 -3.281 12.003 -4.746 1.00 0.00 C ATOM 52 CZ TYR A 4 -4.317 11.067 -4.638 1.00 0.00 C ATOM 53 OH TYR A 4 -5.617 11.441 -4.910 1.00 0.00 O ATOM 0 H TYR A 4 0.776 11.765 -2.447 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.922 9.453 -1.836 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.435 10.601 -4.258 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.060 8.920 -4.303 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.497 8.357 -3.686 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.162 12.342 -4.565 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.830 9.026 -4.180 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.500 13.019 -5.038 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.640 12.389 -5.157 1.00 0.00 H new ATOM 63 N CYS A 5 2.307 8.944 -2.280 1.00 0.00 N ATOM 64 CA CYS A 5 3.366 7.927 -2.003 1.00 0.00 C ATOM 65 C CYS A 5 3.345 7.584 -0.501 1.00 0.00 C ATOM 66 O CYS A 5 3.454 6.432 -0.130 1.00 0.00 O ATOM 67 CB CYS A 5 4.742 8.484 -2.405 1.00 0.00 C ATOM 68 SG CYS A 5 5.807 7.116 -2.935 1.00 0.00 S ATOM 0 H CYS A 5 2.639 9.816 -2.692 1.00 0.00 H new ATOM 0 HA CYS A 5 3.176 7.024 -2.584 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.633 9.209 -3.211 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.195 9.009 -1.564 1.00 0.00 H new ATOM 73 N GLU A 6 3.237 8.552 0.363 1.00 0.00 N ATOM 74 CA GLU A 6 3.247 8.239 1.824 1.00 0.00 C ATOM 75 C GLU A 6 2.138 7.242 2.160 1.00 0.00 C ATOM 76 O GLU A 6 2.323 6.337 2.949 1.00 0.00 O ATOM 77 CB GLU A 6 3.044 9.524 2.623 1.00 0.00 C ATOM 78 CG GLU A 6 4.044 10.574 2.145 1.00 0.00 C ATOM 79 CD GLU A 6 5.469 10.076 2.388 1.00 0.00 C ATOM 80 OE1 GLU A 6 5.978 10.303 3.474 1.00 0.00 O ATOM 81 OE2 GLU A 6 6.029 9.476 1.485 1.00 0.00 O ATOM 0 H GLU A 6 3.143 9.540 0.127 1.00 0.00 H new ATOM 0 HA GLU A 6 4.208 7.796 2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.025 9.889 2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.182 9.331 3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.895 10.776 1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.881 11.513 2.674 1.00 0.00 H new ATOM 88 N VAL A 7 0.979 7.411 1.590 1.00 0.00 N ATOM 89 CA VAL A 7 -0.145 6.481 1.904 1.00 0.00 C ATOM 90 C VAL A 7 0.118 5.088 1.302 1.00 0.00 C ATOM 91 O VAL A 7 -0.189 4.082 1.910 1.00 0.00 O ATOM 92 CB VAL A 7 -1.453 7.081 1.367 1.00 0.00 C ATOM 93 CG1 VAL A 7 -2.571 6.031 1.421 1.00 0.00 C ATOM 94 CG2 VAL A 7 -1.855 8.322 2.199 1.00 0.00 C ATOM 0 H VAL A 7 0.759 8.150 0.922 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.227 6.357 2.984 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.300 7.387 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.495 6.464 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.293 5.172 0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.720 5.711 2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.784 8.737 1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.998 8.032 3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.067 9.073 2.137 1.00 0.00 H new ATOM 104 N CYS A 8 0.691 5.009 0.127 1.00 0.00 N ATOM 105 CA CYS A 8 0.974 3.672 -0.481 1.00 0.00 C ATOM 106 C CYS A 8 1.887 2.881 0.454 1.00 0.00 C ATOM 107 O CYS A 8 1.655 1.721 0.732 1.00 0.00 O ATOM 108 CB CYS A 8 1.652 3.879 -1.846 1.00 0.00 C ATOM 109 SG CYS A 8 3.435 4.113 -1.654 1.00 0.00 S ATOM 0 H CYS A 8 0.975 5.810 -0.437 1.00 0.00 H new ATOM 0 HA CYS A 8 0.048 3.115 -0.624 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.461 3.017 -2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.219 4.747 -2.343 1.00 0.00 H new ATOM 114 N GLU A 9 2.932 3.496 0.929 1.00 0.00 N ATOM 115 CA GLU A 9 3.862 2.778 1.831 1.00 0.00 C ATOM 116 C GLU A 9 3.153 2.456 3.139 1.00 0.00 C ATOM 117 O GLU A 9 3.450 1.465 3.777 1.00 0.00 O ATOM 118 CB GLU A 9 5.077 3.662 2.128 1.00 0.00 C ATOM 119 CG GLU A 9 5.916 3.830 0.862 1.00 0.00 C ATOM 120 CD GLU A 9 7.255 4.480 1.219 1.00 0.00 C ATOM 121 OE1 GLU A 9 7.277 5.688 1.390 1.00 0.00 O ATOM 122 OE2 GLU A 9 8.235 3.760 1.316 1.00 0.00 O ATOM 0 H GLU A 9 3.180 4.465 0.730 1.00 0.00 H new ATOM 0 HA GLU A 9 4.188 1.856 1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.750 4.636 2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.680 3.214 2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.084 2.860 0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.382 4.446 0.138 1.00 0.00 H new ATOM 129 N PHE A 10 2.219 3.267 3.565 1.00 0.00 N ATOM 130 CA PHE A 10 1.534 2.950 4.842 1.00 0.00 C ATOM 131 C PHE A 10 0.724 1.653 4.684 1.00 0.00 C ATOM 132 O PHE A 10 0.805 0.761 5.505 1.00 0.00 O ATOM 133 CB PHE A 10 0.613 4.102 5.247 1.00 0.00 C ATOM 134 CG PHE A 10 -0.048 3.746 6.550 1.00 0.00 C ATOM 135 CD1 PHE A 10 0.608 4.004 7.756 1.00 0.00 C ATOM 136 CD2 PHE A 10 -1.302 3.132 6.549 1.00 0.00 C ATOM 137 CE1 PHE A 10 0.007 3.650 8.969 1.00 0.00 C ATOM 138 CE2 PHE A 10 -1.906 2.773 7.761 1.00 0.00 C ATOM 139 CZ PHE A 10 -1.250 3.032 8.972 1.00 0.00 C ATOM 0 H PHE A 10 1.910 4.116 3.092 1.00 0.00 H new ATOM 0 HA PHE A 10 2.281 2.812 5.624 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.183 5.025 5.351 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.138 4.276 4.476 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.579 4.477 7.752 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.806 2.934 5.615 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.512 3.853 9.902 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.876 2.297 7.762 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.714 2.755 9.907 1.00 0.00 H new ATOM 149 N LEU A 11 -0.048 1.532 3.633 1.00 0.00 N ATOM 150 CA LEU A 11 -0.843 0.280 3.431 1.00 0.00 C ATOM 151 C LEU A 11 0.103 -0.912 3.267 1.00 0.00 C ATOM 152 O LEU A 11 -0.127 -1.966 3.827 1.00 0.00 O ATOM 153 CB LEU A 11 -1.710 0.394 2.163 1.00 0.00 C ATOM 154 CG LEU A 11 -2.764 1.506 2.334 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.238 1.982 0.957 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.975 0.982 3.120 1.00 0.00 C ATOM 0 H LEU A 11 -0.162 2.241 2.909 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.484 0.136 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.079 0.611 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.204 -0.557 1.965 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.309 2.332 2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.983 2.768 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.389 2.371 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.679 1.146 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.709 1.780 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.425 0.148 2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.652 0.646 4.105 1.00 0.00 H new ATOM 168 N VAL A 12 1.160 -0.778 2.510 1.00 0.00 N ATOM 169 CA VAL A 12 2.090 -1.927 2.331 1.00 0.00 C ATOM 170 C VAL A 12 2.639 -2.367 3.701 1.00 0.00 C ATOM 171 O VAL A 12 2.641 -3.535 4.025 1.00 0.00 O ATOM 172 CB VAL A 12 3.240 -1.484 1.405 1.00 0.00 C ATOM 173 CG1 VAL A 12 4.452 -2.410 1.559 1.00 0.00 C ATOM 174 CG2 VAL A 12 2.767 -1.528 -0.052 1.00 0.00 C ATOM 0 H VAL A 12 1.417 0.074 2.011 1.00 0.00 H new ATOM 0 HA VAL A 12 1.567 -2.773 1.884 1.00 0.00 H new ATOM 0 HB VAL A 12 3.531 -0.470 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.251 -2.077 0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.802 -2.382 2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.166 -3.429 1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.579 -1.215 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.466 -2.544 -0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.918 -0.856 -0.179 1.00 0.00 H new ATOM 184 N LYS A 13 3.099 -1.440 4.509 1.00 0.00 N ATOM 185 CA LYS A 13 3.650 -1.815 5.850 1.00 0.00 C ATOM 186 C LYS A 13 2.577 -2.550 6.661 1.00 0.00 C ATOM 187 O LYS A 13 2.853 -3.520 7.340 1.00 0.00 O ATOM 188 CB LYS A 13 4.095 -0.544 6.597 1.00 0.00 C ATOM 189 CG LYS A 13 4.328 -0.847 8.099 1.00 0.00 C ATOM 190 CD LYS A 13 5.499 -0.012 8.637 1.00 0.00 C ATOM 191 CE LYS A 13 5.155 1.474 8.543 1.00 0.00 C ATOM 192 NZ LYS A 13 6.240 2.277 9.177 1.00 0.00 N ATOM 0 H LYS A 13 3.116 -0.442 4.298 1.00 0.00 H new ATOM 0 HA LYS A 13 4.509 -2.473 5.719 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.012 -0.156 6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.336 0.231 6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.424 -0.625 8.666 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.537 -1.908 8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.706 -0.283 9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.403 -0.223 8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.035 1.765 7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.205 1.670 9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.006 3.288 9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.334 2.006 10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.138 2.098 8.684 1.00 0.00 H new ATOM 206 N GLU A 14 1.365 -2.083 6.616 1.00 0.00 N ATOM 207 CA GLU A 14 0.287 -2.741 7.405 1.00 0.00 C ATOM 208 C GLU A 14 -0.075 -4.079 6.775 1.00 0.00 C ATOM 209 O GLU A 14 -0.335 -5.039 7.468 1.00 0.00 O ATOM 210 CB GLU A 14 -0.960 -1.846 7.425 1.00 0.00 C ATOM 211 CG GLU A 14 -0.753 -0.664 8.380 1.00 0.00 C ATOM 212 CD GLU A 14 -2.107 -0.023 8.691 1.00 0.00 C ATOM 213 OE1 GLU A 14 -2.965 -0.050 7.824 1.00 0.00 O ATOM 214 OE2 GLU A 14 -2.265 0.478 9.792 1.00 0.00 O ATOM 0 H GLU A 14 1.072 -1.274 6.068 1.00 0.00 H new ATOM 0 HA GLU A 14 0.644 -2.901 8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.168 -1.478 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.828 -2.427 7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.279 -1.004 9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.085 0.070 7.929 1.00 0.00 H new ATOM 221 N VAL A 15 -0.107 -4.168 5.479 1.00 0.00 N ATOM 222 CA VAL A 15 -0.481 -5.463 4.860 1.00 0.00 C ATOM 223 C VAL A 15 0.578 -6.525 5.174 1.00 0.00 C ATOM 224 O VAL A 15 0.248 -7.649 5.486 1.00 0.00 O ATOM 225 CB VAL A 15 -0.638 -5.290 3.335 1.00 0.00 C ATOM 226 CG1 VAL A 15 -0.546 -6.651 2.630 1.00 0.00 C ATOM 227 CG2 VAL A 15 -2.001 -4.660 3.031 1.00 0.00 C ATOM 0 H VAL A 15 0.106 -3.411 4.829 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.433 -5.794 5.274 1.00 0.00 H new ATOM 0 HB VAL A 15 0.162 -4.645 2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.659 -6.512 1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.424 -7.104 2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.338 -7.305 2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.113 -4.537 1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.793 -5.308 3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.068 -3.686 3.516 1.00 0.00 H new ATOM 237 N THR A 16 1.841 -6.218 5.067 1.00 0.00 N ATOM 238 CA THR A 16 2.830 -7.291 5.335 1.00 0.00 C ATOM 239 C THR A 16 2.705 -7.777 6.770 1.00 0.00 C ATOM 240 O THR A 16 2.784 -8.960 7.038 1.00 0.00 O ATOM 241 CB THR A 16 4.271 -6.852 5.085 1.00 0.00 C ATOM 242 OG1 THR A 16 4.780 -6.220 6.251 1.00 0.00 O ATOM 243 CG2 THR A 16 4.370 -5.890 3.893 1.00 0.00 C ATOM 0 H THR A 16 2.219 -5.305 4.815 1.00 0.00 H new ATOM 0 HA THR A 16 2.603 -8.096 4.636 1.00 0.00 H new ATOM 0 HB THR A 16 4.860 -7.739 4.850 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.705 -5.939 6.093 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.410 -5.599 3.746 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.001 -6.385 2.995 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.770 -5.002 4.091 1.00 0.00 H new ATOM 251 N LYS A 17 2.492 -6.892 7.704 1.00 0.00 N ATOM 252 CA LYS A 17 2.348 -7.358 9.102 1.00 0.00 C ATOM 253 C LYS A 17 1.150 -8.301 9.137 1.00 0.00 C ATOM 254 O LYS A 17 1.122 -9.280 9.858 1.00 0.00 O ATOM 255 CB LYS A 17 2.101 -6.167 10.042 1.00 0.00 C ATOM 256 CG LYS A 17 2.044 -6.669 11.503 1.00 0.00 C ATOM 257 CD LYS A 17 1.153 -5.767 12.362 1.00 0.00 C ATOM 258 CE LYS A 17 0.984 -6.403 13.749 1.00 0.00 C ATOM 259 NZ LYS A 17 2.233 -6.212 14.538 1.00 0.00 N ATOM 0 H LYS A 17 2.413 -5.885 7.560 1.00 0.00 H new ATOM 0 HA LYS A 17 3.256 -7.862 9.433 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.896 -5.430 9.930 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.167 -5.670 9.780 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.662 -7.690 11.525 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.050 -6.696 11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.598 -4.776 12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.181 -5.637 11.887 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.140 -5.949 14.269 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.763 -7.466 13.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.085 -6.551 15.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.007 -6.749 14.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.480 -5.202 14.558 1.00 0.00 H new ATOM 273 N LEU A 18 0.162 -7.999 8.345 1.00 0.00 N ATOM 274 CA LEU A 18 -1.053 -8.848 8.289 1.00 0.00 C ATOM 275 C LEU A 18 -0.698 -10.148 7.559 1.00 0.00 C ATOM 276 O LEU A 18 -1.118 -11.222 7.942 1.00 0.00 O ATOM 277 CB LEU A 18 -2.165 -8.066 7.560 1.00 0.00 C ATOM 278 CG LEU A 18 -2.725 -6.847 8.397 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.254 -6.860 8.391 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.276 -6.839 9.874 1.00 0.00 C ATOM 0 H LEU A 18 0.147 -7.188 7.726 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.414 -9.101 9.286 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.778 -7.698 6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.985 -8.746 7.328 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.318 -5.960 7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.627 -6.016 8.971 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.614 -6.784 7.365 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.612 -7.790 8.833 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.702 -5.972 10.379 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.620 -7.750 10.364 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.188 -6.789 9.923 1.00 0.00 H new ATOM 292 N ILE A 19 0.112 -10.058 6.537 1.00 0.00 N ATOM 293 CA ILE A 19 0.543 -11.283 5.810 1.00 0.00 C ATOM 294 C ILE A 19 1.434 -12.065 6.767 1.00 0.00 C ATOM 295 O ILE A 19 1.491 -13.278 6.744 1.00 0.00 O ATOM 296 CB ILE A 19 1.339 -10.896 4.547 1.00 0.00 C ATOM 297 CG1 ILE A 19 0.391 -10.222 3.537 1.00 0.00 C ATOM 298 CG2 ILE A 19 1.952 -12.150 3.915 1.00 0.00 C ATOM 299 CD1 ILE A 19 1.176 -9.715 2.318 1.00 0.00 C ATOM 0 H ILE A 19 0.494 -9.184 6.175 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.315 -11.876 5.495 1.00 0.00 H new ATOM 0 HB ILE A 19 2.138 -10.206 4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.372 -10.931 3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.127 -9.391 4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.513 -11.871 3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.622 -12.628 4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.158 -12.845 3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.491 -9.242 1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.922 -8.989 2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.673 -10.554 1.831 1.00 0.00 H new ATOM 311 N ASP A 20 2.133 -11.357 7.611 1.00 0.00 N ATOM 312 CA ASP A 20 3.035 -12.015 8.587 1.00 0.00 C ATOM 313 C ASP A 20 2.228 -12.601 9.749 1.00 0.00 C ATOM 314 O ASP A 20 2.676 -13.522 10.405 1.00 0.00 O ATOM 315 CB ASP A 20 4.026 -10.984 9.132 1.00 0.00 C ATOM 316 CG ASP A 20 4.804 -10.361 7.972 1.00 0.00 C ATOM 317 OD1 ASP A 20 5.230 -11.103 7.103 1.00 0.00 O ATOM 318 OD2 ASP A 20 4.960 -9.150 7.971 1.00 0.00 O ATOM 0 H ASP A 20 2.115 -10.339 7.663 1.00 0.00 H new ATOM 0 HA ASP A 20 3.570 -12.821 8.086 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.494 -10.209 9.685 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.714 -11.459 9.831 1.00 0.00 H new ATOM 323 N ASN A 21 1.046 -12.081 10.029 1.00 0.00 N ATOM 324 CA ASN A 21 0.253 -12.638 11.179 1.00 0.00 C ATOM 325 C ASN A 21 -0.599 -13.819 10.692 1.00 0.00 C ATOM 326 O ASN A 21 -1.264 -14.462 11.476 1.00 0.00 O ATOM 327 CB ASN A 21 -0.615 -11.556 11.823 1.00 0.00 C ATOM 328 CG ASN A 21 -1.352 -12.144 13.028 1.00 0.00 C ATOM 329 OD1 ASN A 21 -0.932 -13.263 13.552 1.00 0.00 O flip ATOM 330 ND2 ASN A 21 -2.319 -11.577 13.499 1.00 0.00 N flip ATOM 0 H ASN A 21 0.607 -11.313 9.522 1.00 0.00 H new ATOM 0 HA ASN A 21 0.942 -12.996 11.944 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.005 -10.716 12.137 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.331 -11.170 11.098 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.647 -10.702 13.089 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.802 -11.976 14.304 1.00 0.00 H new ATOM 337 N ASN A 22 -0.525 -14.148 9.421 1.00 0.00 N ATOM 338 CA ASN A 22 -1.262 -15.350 8.882 1.00 0.00 C ATOM 339 C ASN A 22 -2.746 -15.071 8.583 1.00 0.00 C ATOM 340 O ASN A 22 -3.582 -15.921 8.815 1.00 0.00 O ATOM 341 CB ASN A 22 -1.171 -16.508 9.904 1.00 0.00 C ATOM 342 CG ASN A 22 -1.205 -17.859 9.177 1.00 0.00 C ATOM 343 OD1 ASN A 22 -2.031 -18.077 8.313 1.00 0.00 O ATOM 344 ND2 ASN A 22 -0.337 -18.780 9.496 1.00 0.00 N ATOM 0 H ASN A 22 0.017 -13.634 8.726 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.784 -15.613 7.938 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.251 -16.421 10.483 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.999 -16.446 10.610 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.352 -19.682 9.020 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.357 -18.598 10.221 1.00 0.00 H new ATOM 351 N LYS A 23 -3.099 -13.927 8.060 1.00 0.00 N ATOM 352 CA LYS A 23 -4.545 -13.671 7.748 1.00 0.00 C ATOM 353 C LYS A 23 -4.793 -14.022 6.272 1.00 0.00 C ATOM 354 O LYS A 23 -3.906 -13.939 5.445 1.00 0.00 O ATOM 355 CB LYS A 23 -4.875 -12.201 8.014 1.00 0.00 C ATOM 356 CG LYS A 23 -4.189 -11.714 9.331 1.00 0.00 C ATOM 357 CD LYS A 23 -5.182 -10.967 10.247 1.00 0.00 C ATOM 358 CE LYS A 23 -4.530 -10.715 11.609 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.551 -10.183 12.555 1.00 0.00 N ATOM 0 H LYS A 23 -2.461 -13.164 7.836 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.186 -14.285 8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.540 -11.590 7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.955 -12.073 8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.775 -12.570 9.864 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.355 -11.057 9.086 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.473 -10.021 9.791 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.092 -11.554 10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.105 -11.640 11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.709 -10.006 11.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.110 -10.011 13.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.937 -9.291 12.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.320 -10.875 12.661 1.00 0.00 H new ATOM 373 N THR A 24 -6.000 -14.417 5.942 1.00 0.00 N ATOM 374 CA THR A 24 -6.324 -14.778 4.528 1.00 0.00 C ATOM 375 C THR A 24 -6.549 -13.519 3.684 1.00 0.00 C ATOM 376 O THR A 24 -6.831 -12.456 4.199 1.00 0.00 O ATOM 377 CB THR A 24 -7.605 -15.631 4.487 1.00 0.00 C ATOM 378 OG1 THR A 24 -8.732 -14.783 4.313 1.00 0.00 O ATOM 379 CG2 THR A 24 -7.761 -16.412 5.791 1.00 0.00 C ATOM 0 H THR A 24 -6.778 -14.505 6.596 1.00 0.00 H new ATOM 0 HA THR A 24 -5.483 -15.340 4.121 1.00 0.00 H new ATOM 0 HB THR A 24 -7.536 -16.333 3.656 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.543 -15.254 4.598 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.671 -17.011 5.750 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.901 -17.067 5.928 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.823 -15.715 6.627 1.00 0.00 H new ATOM 387 N GLU A 25 -6.453 -13.642 2.388 1.00 0.00 N ATOM 388 CA GLU A 25 -6.687 -12.459 1.509 1.00 0.00 C ATOM 389 C GLU A 25 -8.054 -11.863 1.871 1.00 0.00 C ATOM 390 O GLU A 25 -8.210 -10.665 1.999 1.00 0.00 O ATOM 391 CB GLU A 25 -6.673 -12.894 0.040 1.00 0.00 C ATOM 392 CG GLU A 25 -6.455 -11.674 -0.857 1.00 0.00 C ATOM 393 CD GLU A 25 -6.784 -12.038 -2.306 1.00 0.00 C ATOM 394 OE1 GLU A 25 -6.001 -12.757 -2.907 1.00 0.00 O ATOM 395 OE2 GLU A 25 -7.810 -11.592 -2.791 1.00 0.00 O ATOM 0 H GLU A 25 -6.223 -14.508 1.900 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.904 -11.715 1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.882 -13.625 -0.125 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.615 -13.381 -0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.086 -10.849 -0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.422 -11.335 -0.782 1.00 0.00 H new ATOM 402 N LYS A 26 -9.045 -12.699 2.031 1.00 0.00 N ATOM 403 CA LYS A 26 -10.413 -12.210 2.376 1.00 0.00 C ATOM 404 C LYS A 26 -10.383 -11.338 3.638 1.00 0.00 C ATOM 405 O LYS A 26 -11.162 -10.416 3.777 1.00 0.00 O ATOM 406 CB LYS A 26 -11.337 -13.408 2.603 1.00 0.00 C ATOM 407 CG LYS A 26 -12.724 -12.912 3.019 1.00 0.00 C ATOM 408 CD LYS A 26 -13.737 -14.051 2.879 1.00 0.00 C ATOM 409 CE LYS A 26 -15.130 -13.546 3.260 1.00 0.00 C ATOM 410 NZ LYS A 26 -16.084 -14.692 3.281 1.00 0.00 N ATOM 0 H LYS A 26 -8.964 -13.711 1.936 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.784 -11.604 1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.410 -14.002 1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.925 -14.057 3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.701 -12.556 4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.022 -12.068 2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.741 -14.424 1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.453 -14.885 3.521 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.100 -13.066 4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.464 -12.794 2.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -17.032 -14.350 3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.120 -15.131 2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.767 -15.395 3.979 1.00 0.00 H new ATOM 424 N GLU A 27 -9.510 -11.621 4.558 1.00 0.00 N ATOM 425 CA GLU A 27 -9.461 -10.803 5.806 1.00 0.00 C ATOM 426 C GLU A 27 -8.788 -9.450 5.530 1.00 0.00 C ATOM 427 O GLU A 27 -9.160 -8.442 6.098 1.00 0.00 O ATOM 428 CB GLU A 27 -8.661 -11.543 6.879 1.00 0.00 C ATOM 429 CG GLU A 27 -9.473 -12.710 7.436 1.00 0.00 C ATOM 430 CD GLU A 27 -8.558 -13.632 8.246 1.00 0.00 C ATOM 431 OE1 GLU A 27 -7.451 -13.876 7.797 1.00 0.00 O ATOM 432 OE2 GLU A 27 -8.980 -14.076 9.300 1.00 0.00 O ATOM 0 H GLU A 27 -8.829 -12.379 4.505 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.482 -10.637 6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.726 -11.911 6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.398 -10.857 7.684 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.280 -12.337 8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.936 -13.266 6.621 1.00 0.00 H new ATOM 439 N ILE A 28 -7.801 -9.411 4.680 1.00 0.00 N ATOM 440 CA ILE A 28 -7.112 -8.119 4.395 1.00 0.00 C ATOM 441 C ILE A 28 -8.090 -7.174 3.713 1.00 0.00 C ATOM 442 O ILE A 28 -8.135 -5.995 4.004 1.00 0.00 O ATOM 443 CB ILE A 28 -5.892 -8.421 3.509 1.00 0.00 C ATOM 444 CG1 ILE A 28 -5.207 -9.687 4.091 1.00 0.00 C ATOM 445 CG2 ILE A 28 -4.940 -7.217 3.488 1.00 0.00 C ATOM 446 CD1 ILE A 28 -3.684 -9.693 3.907 1.00 0.00 C ATOM 0 H ILE A 28 -7.440 -10.217 4.169 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.770 -7.635 5.310 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.187 -8.603 2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.438 -9.760 5.154 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.627 -10.571 3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.080 -7.444 2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.462 -6.347 3.090 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.600 -7.004 4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.269 -10.605 4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.446 -9.651 2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.253 -8.827 4.410 1.00 0.00 H new ATOM 458 N LEU A 29 -8.888 -7.675 2.822 1.00 0.00 N ATOM 459 CA LEU A 29 -9.875 -6.804 2.142 1.00 0.00 C ATOM 460 C LEU A 29 -10.999 -6.455 3.129 1.00 0.00 C ATOM 461 O LEU A 29 -11.629 -5.423 3.039 1.00 0.00 O ATOM 462 CB LEU A 29 -10.432 -7.552 0.931 1.00 0.00 C ATOM 463 CG LEU A 29 -9.264 -8.104 0.100 1.00 0.00 C ATOM 464 CD1 LEU A 29 -9.820 -8.897 -1.087 1.00 0.00 C ATOM 465 CD2 LEU A 29 -8.399 -6.944 -0.417 1.00 0.00 C ATOM 0 H LEU A 29 -8.900 -8.653 2.534 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.407 -5.879 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.079 -8.366 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.042 -6.883 0.324 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.652 -8.756 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.995 -9.291 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.429 -9.723 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.432 -8.242 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.572 -7.341 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.006 -6.287 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.005 -6.380 0.428 1.00 0.00 H new ATOM 477 N ASP A 30 -11.234 -7.312 4.087 1.00 0.00 N ATOM 478 CA ASP A 30 -12.288 -7.030 5.107 1.00 0.00 C ATOM 479 C ASP A 30 -11.804 -5.884 6.006 1.00 0.00 C ATOM 480 O ASP A 30 -12.541 -4.967 6.308 1.00 0.00 O ATOM 481 CB ASP A 30 -12.534 -8.280 5.957 1.00 0.00 C ATOM 482 CG ASP A 30 -13.781 -8.074 6.820 1.00 0.00 C ATOM 483 OD1 ASP A 30 -14.869 -8.107 6.270 1.00 0.00 O ATOM 484 OD2 ASP A 30 -13.624 -7.889 8.015 1.00 0.00 O ATOM 0 H ASP A 30 -10.741 -8.197 4.208 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.218 -6.751 4.612 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.664 -9.150 5.314 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.669 -8.478 6.590 1.00 0.00 H new ATOM 489 N ALA A 31 -10.579 -5.942 6.453 1.00 0.00 N ATOM 490 CA ALA A 31 -10.052 -4.874 7.356 1.00 0.00 C ATOM 491 C ALA A 31 -9.938 -3.540 6.602 1.00 0.00 C ATOM 492 O ALA A 31 -9.962 -2.485 7.205 1.00 0.00 O ATOM 493 CB ALA A 31 -8.678 -5.291 7.877 1.00 0.00 C ATOM 0 H ALA A 31 -9.916 -6.685 6.232 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.740 -4.742 8.191 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.288 -4.516 8.537 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.767 -6.226 8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.997 -5.429 7.037 1.00 0.00 H new ATOM 499 N PHE A 32 -9.833 -3.559 5.308 1.00 0.00 N ATOM 500 CA PHE A 32 -9.741 -2.277 4.541 1.00 0.00 C ATOM 501 C PHE A 32 -10.914 -1.362 4.910 1.00 0.00 C ATOM 502 O PHE A 32 -10.956 -0.213 4.518 1.00 0.00 O ATOM 503 CB PHE A 32 -9.794 -2.623 3.045 1.00 0.00 C ATOM 504 CG PHE A 32 -8.423 -3.035 2.511 1.00 0.00 C ATOM 505 CD1 PHE A 32 -7.361 -3.414 3.368 1.00 0.00 C ATOM 506 CD2 PHE A 32 -8.211 -3.010 1.127 1.00 0.00 C ATOM 507 CE1 PHE A 32 -6.118 -3.756 2.828 1.00 0.00 C ATOM 508 CE2 PHE A 32 -6.962 -3.346 0.597 1.00 0.00 C ATOM 509 CZ PHE A 32 -5.917 -3.716 1.447 1.00 0.00 C ATOM 0 H PHE A 32 -9.806 -4.406 4.740 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.814 -1.755 4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.506 -3.433 2.884 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.159 -1.762 2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.511 -3.439 4.437 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.017 -2.729 0.465 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.310 -4.052 3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.805 -3.320 -0.471 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.952 -3.972 1.035 1.00 0.00 H new ATOM 519 N ASP A 33 -11.878 -1.856 5.637 1.00 0.00 N ATOM 520 CA ASP A 33 -13.050 -1.002 5.992 1.00 0.00 C ATOM 521 C ASP A 33 -12.765 -0.195 7.264 1.00 0.00 C ATOM 522 O ASP A 33 -13.412 0.800 7.523 1.00 0.00 O ATOM 523 CB ASP A 33 -14.273 -1.899 6.219 1.00 0.00 C ATOM 524 CG ASP A 33 -14.830 -2.362 4.871 1.00 0.00 C ATOM 525 OD1 ASP A 33 -14.177 -3.169 4.229 1.00 0.00 O ATOM 526 OD2 ASP A 33 -15.898 -1.903 4.504 1.00 0.00 O ATOM 0 H ASP A 33 -11.907 -2.809 6.000 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.241 -0.306 5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.996 -2.762 6.825 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.038 -1.354 6.772 1.00 0.00 H new ATOM 531 N LYS A 34 -11.796 -0.600 8.053 1.00 0.00 N ATOM 532 CA LYS A 34 -11.455 0.157 9.306 1.00 0.00 C ATOM 533 C LYS A 34 -9.954 0.500 9.298 1.00 0.00 C ATOM 534 O LYS A 34 -9.415 0.961 10.283 1.00 0.00 O ATOM 535 CB LYS A 34 -11.794 -0.685 10.574 1.00 0.00 C ATOM 536 CG LYS A 34 -12.064 -2.164 10.209 1.00 0.00 C ATOM 537 CD LYS A 34 -13.569 -2.386 9.891 1.00 0.00 C ATOM 538 CE LYS A 34 -14.285 -2.958 11.120 1.00 0.00 C ATOM 539 NZ LYS A 34 -15.753 -2.735 10.991 1.00 0.00 N ATOM 0 H LYS A 34 -11.223 -1.426 7.883 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.047 1.072 9.335 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.968 -0.628 11.283 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.669 -0.265 11.069 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.460 -2.447 9.347 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.763 -2.808 11.035 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.030 -1.443 9.597 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.674 -3.069 9.048 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.075 -4.024 11.213 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.912 -2.480 12.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.238 -3.123 11.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.945 -1.715 10.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.102 -3.211 10.135 1.00 0.00 H new ATOM 553 N MET A 35 -9.274 0.284 8.200 1.00 0.00 N ATOM 554 CA MET A 35 -7.814 0.610 8.156 1.00 0.00 C ATOM 555 C MET A 35 -7.646 2.116 7.905 1.00 0.00 C ATOM 556 O MET A 35 -6.844 2.755 8.559 1.00 0.00 O ATOM 557 CB MET A 35 -7.127 -0.221 7.044 1.00 0.00 C ATOM 558 CG MET A 35 -5.907 -0.970 7.589 1.00 0.00 C ATOM 559 SD MET A 35 -4.941 -1.632 6.201 1.00 0.00 S ATOM 560 CE MET A 35 -5.206 -3.397 6.521 1.00 0.00 C ATOM 0 H MET A 35 -9.662 -0.101 7.339 1.00 0.00 H new ATOM 0 HA MET A 35 -7.343 0.358 9.106 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.838 -0.934 6.626 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.820 0.437 6.231 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.292 -0.299 8.188 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.226 -1.780 8.244 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.685 -3.986 5.766 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.819 -3.650 7.508 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.273 -3.618 6.482 1.00 0.00 H new ATOM 570 N CYS A 36 -8.379 2.714 6.994 1.00 0.00 N ATOM 571 CA CYS A 36 -8.183 4.175 6.807 1.00 0.00 C ATOM 572 C CYS A 36 -8.616 4.845 8.108 1.00 0.00 C ATOM 573 O CYS A 36 -8.456 6.036 8.291 1.00 0.00 O ATOM 574 CB CYS A 36 -9.003 4.719 5.631 1.00 0.00 C ATOM 575 SG CYS A 36 -8.211 6.214 4.998 1.00 0.00 S ATOM 0 H CYS A 36 -9.076 2.270 6.397 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.139 4.383 6.575 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.074 3.969 4.843 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -10.021 4.940 5.953 1.00 0.00 H new ATOM 580 N SER A 37 -9.174 4.087 9.009 1.00 0.00 N ATOM 581 CA SER A 37 -9.631 4.691 10.301 1.00 0.00 C ATOM 582 C SER A 37 -8.449 4.838 11.265 1.00 0.00 C ATOM 583 O SER A 37 -8.641 5.051 12.446 1.00 0.00 O ATOM 584 CB SER A 37 -10.696 3.801 10.939 1.00 0.00 C ATOM 585 OG SER A 37 -11.323 4.510 12.000 1.00 0.00 O ATOM 0 H SER A 37 -9.335 3.084 8.913 1.00 0.00 H new ATOM 0 HA SER A 37 -10.051 5.676 10.097 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.436 3.508 10.194 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.243 2.884 11.316 1.00 0.00 H new ATOM 0 HG SER A 37 -10.643 4.981 12.526 1.00 0.00 H new ATOM 591 N LYS A 38 -7.232 4.733 10.781 1.00 0.00 N ATOM 592 CA LYS A 38 -6.035 4.874 11.680 1.00 0.00 C ATOM 593 C LYS A 38 -5.185 6.072 11.229 1.00 0.00 C ATOM 594 O LYS A 38 -4.189 6.398 11.844 1.00 0.00 O ATOM 595 CB LYS A 38 -5.202 3.585 11.631 1.00 0.00 C ATOM 596 CG LYS A 38 -5.862 2.514 12.504 1.00 0.00 C ATOM 597 CD LYS A 38 -5.010 1.243 12.488 1.00 0.00 C ATOM 598 CE LYS A 38 -5.820 0.079 13.062 1.00 0.00 C ATOM 599 NZ LYS A 38 -4.991 -1.158 13.046 1.00 0.00 N ATOM 0 H LYS A 38 -7.014 4.555 9.801 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.367 5.044 12.704 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.121 3.231 10.603 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.189 3.781 11.982 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.970 2.879 13.525 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.864 2.297 12.135 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.697 1.015 11.469 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.103 1.393 13.074 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.133 0.307 14.081 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.727 -0.071 12.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.541 -1.950 13.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.714 -1.378 12.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.138 -1.012 13.623 1.00 0.00 H new ATOM 613 N LEU A 39 -5.579 6.738 10.168 1.00 0.00 N ATOM 614 CA LEU A 39 -4.807 7.932 9.676 1.00 0.00 C ATOM 615 C LEU A 39 -5.612 9.204 10.011 1.00 0.00 C ATOM 616 O LEU A 39 -6.824 9.176 9.920 1.00 0.00 O ATOM 617 CB LEU A 39 -4.658 7.842 8.150 1.00 0.00 C ATOM 618 CG LEU A 39 -3.950 6.543 7.751 1.00 0.00 C ATOM 619 CD1 LEU A 39 -3.941 6.428 6.227 1.00 0.00 C ATOM 620 CD2 LEU A 39 -2.501 6.548 8.263 1.00 0.00 C ATOM 0 H LEU A 39 -6.406 6.507 9.617 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.824 7.961 10.147 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.641 7.886 7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.092 8.698 7.784 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.480 5.698 8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.439 5.506 5.935 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.966 6.416 5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.412 7.280 5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.009 5.619 7.973 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.965 7.393 7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.499 6.635 9.350 1.00 0.00 H new ATOM 632 N PRO A 40 -4.954 10.295 10.374 1.00 0.00 N ATOM 633 CA PRO A 40 -5.679 11.537 10.686 1.00 0.00 C ATOM 634 C PRO A 40 -6.759 11.809 9.621 1.00 0.00 C ATOM 635 O PRO A 40 -6.687 11.285 8.526 1.00 0.00 O ATOM 636 CB PRO A 40 -4.586 12.632 10.737 1.00 0.00 C ATOM 637 CG PRO A 40 -3.209 11.904 10.725 1.00 0.00 C ATOM 638 CD PRO A 40 -3.483 10.400 10.512 1.00 0.00 C ATOM 0 HA PRO A 40 -6.220 11.494 11.631 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.674 13.304 9.884 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.692 13.241 11.635 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.575 12.295 9.929 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.680 12.068 11.664 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.975 10.028 9.622 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.122 9.810 11.354 1.00 0.00 H new ATOM 646 N LYS A 41 -7.762 12.591 9.911 1.00 0.00 N ATOM 647 CA LYS A 41 -8.821 12.836 8.885 1.00 0.00 C ATOM 648 C LYS A 41 -8.255 13.561 7.662 1.00 0.00 C ATOM 649 O LYS A 41 -8.893 13.636 6.630 1.00 0.00 O ATOM 650 CB LYS A 41 -9.945 13.672 9.486 1.00 0.00 C ATOM 651 CG LYS A 41 -11.176 13.615 8.573 1.00 0.00 C ATOM 652 CD LYS A 41 -12.353 14.322 9.249 1.00 0.00 C ATOM 653 CE LYS A 41 -13.582 14.242 8.340 1.00 0.00 C ATOM 654 NZ LYS A 41 -14.709 14.998 8.959 1.00 0.00 N ATOM 0 H LYS A 41 -7.896 13.067 10.803 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.206 11.867 8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.198 13.299 10.478 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.618 14.705 9.608 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.954 14.090 7.617 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.436 12.578 8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.567 13.857 10.211 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.101 15.364 9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.349 14.655 7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.868 13.201 8.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.544 14.944 8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.936 14.585 9.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.433 15.993 9.082 1.00 0.00 H new ATOM 668 N SER A 42 -7.107 14.161 7.780 1.00 0.00 N ATOM 669 CA SER A 42 -6.576 14.952 6.632 1.00 0.00 C ATOM 670 C SER A 42 -6.117 14.084 5.457 1.00 0.00 C ATOM 671 O SER A 42 -5.925 14.570 4.360 1.00 0.00 O ATOM 672 CB SER A 42 -5.442 15.866 7.094 1.00 0.00 C ATOM 673 OG SER A 42 -4.418 15.078 7.689 1.00 0.00 O ATOM 0 H SER A 42 -6.516 14.141 8.611 1.00 0.00 H new ATOM 0 HA SER A 42 -7.406 15.555 6.264 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.042 16.425 6.248 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.817 16.597 7.810 1.00 0.00 H new ATOM 0 HG SER A 42 -3.688 15.660 7.985 1.00 0.00 H new ATOM 679 N LEU A 43 -5.958 12.798 5.672 1.00 0.00 N ATOM 680 CA LEU A 43 -5.527 11.879 4.561 1.00 0.00 C ATOM 681 C LEU A 43 -6.658 10.893 4.252 1.00 0.00 C ATOM 682 O LEU A 43 -6.523 10.052 3.386 1.00 0.00 O ATOM 683 CB LEU A 43 -4.285 11.071 4.967 1.00 0.00 C ATOM 684 CG LEU A 43 -3.224 11.973 5.595 1.00 0.00 C ATOM 685 CD1 LEU A 43 -1.960 11.161 5.883 1.00 0.00 C ATOM 686 CD2 LEU A 43 -2.881 13.127 4.648 1.00 0.00 C ATOM 0 H LEU A 43 -6.108 12.341 6.572 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.291 12.488 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.569 10.292 5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.870 10.571 4.092 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.618 12.380 6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.206 11.808 6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.197 10.350 6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.575 10.745 4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.124 13.762 5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.497 12.726 3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.777 13.715 4.452 1.00 0.00 H new ATOM 698 N SER A 44 -7.759 10.974 4.967 1.00 0.00 N ATOM 699 CA SER A 44 -8.902 10.025 4.732 1.00 0.00 C ATOM 700 C SER A 44 -9.041 9.719 3.241 1.00 0.00 C ATOM 701 O SER A 44 -8.874 8.609 2.778 1.00 0.00 O ATOM 702 CB SER A 44 -10.196 10.655 5.246 1.00 0.00 C ATOM 703 OG SER A 44 -11.306 9.885 4.798 1.00 0.00 O ATOM 0 H SER A 44 -7.917 11.659 5.706 1.00 0.00 H new ATOM 0 HA SER A 44 -8.706 9.095 5.265 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.185 10.698 6.335 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.282 11.681 4.887 1.00 0.00 H new ATOM 0 HG SER A 44 -12.137 10.286 5.128 1.00 0.00 H new ATOM 709 N GLU A 45 -9.507 10.713 2.535 1.00 0.00 N ATOM 710 CA GLU A 45 -9.880 10.607 1.098 1.00 0.00 C ATOM 711 C GLU A 45 -8.855 10.032 0.132 1.00 0.00 C ATOM 712 O GLU A 45 -9.131 9.110 -0.609 1.00 0.00 O ATOM 713 CB GLU A 45 -10.195 12.020 0.608 1.00 0.00 C ATOM 714 CG GLU A 45 -11.325 12.624 1.446 1.00 0.00 C ATOM 715 CD GLU A 45 -11.652 14.024 0.927 1.00 0.00 C ATOM 716 OE1 GLU A 45 -12.349 14.119 -0.069 1.00 0.00 O ATOM 717 OE2 GLU A 45 -11.198 14.980 1.535 1.00 0.00 O ATOM 0 H GLU A 45 -9.651 11.646 2.922 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.706 9.896 1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.305 12.645 0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.484 11.994 -0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.210 11.989 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.029 12.673 2.494 1.00 0.00 H new ATOM 724 N GLU A 46 -7.674 10.562 0.137 1.00 0.00 N ATOM 725 CA GLU A 46 -6.634 10.041 -0.773 1.00 0.00 C ATOM 726 C GLU A 46 -6.434 8.551 -0.520 1.00 0.00 C ATOM 727 O GLU A 46 -5.977 7.832 -1.378 1.00 0.00 O ATOM 728 CB GLU A 46 -5.323 10.791 -0.528 1.00 0.00 C ATOM 729 CG GLU A 46 -5.589 12.309 -0.411 1.00 0.00 C ATOM 730 CD GLU A 46 -5.818 12.699 1.055 1.00 0.00 C ATOM 731 OE1 GLU A 46 -6.771 12.210 1.639 1.00 0.00 O ATOM 732 OE2 GLU A 46 -5.035 13.482 1.567 1.00 0.00 O ATOM 0 H GLU A 46 -7.383 11.336 0.734 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.945 10.189 -1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.852 10.426 0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.627 10.598 -1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.743 12.865 -0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.461 12.579 -1.007 1.00 0.00 H new ATOM 739 N CYS A 47 -6.784 8.070 0.639 1.00 0.00 N ATOM 740 CA CYS A 47 -6.615 6.619 0.902 1.00 0.00 C ATOM 741 C CYS A 47 -7.760 5.876 0.216 1.00 0.00 C ATOM 742 O CYS A 47 -7.562 4.859 -0.416 1.00 0.00 O ATOM 743 CB CYS A 47 -6.635 6.374 2.424 1.00 0.00 C ATOM 744 SG CYS A 47 -8.313 5.990 2.998 1.00 0.00 S ATOM 0 H CYS A 47 -7.176 8.614 1.408 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.664 6.258 0.510 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.965 5.551 2.672 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.262 7.257 2.943 1.00 0.00 H new ATOM 749 N GLN A 48 -8.951 6.378 0.334 1.00 0.00 N ATOM 750 CA GLN A 48 -10.101 5.696 -0.314 1.00 0.00 C ATOM 751 C GLN A 48 -9.781 5.472 -1.788 1.00 0.00 C ATOM 752 O GLN A 48 -10.070 4.432 -2.347 1.00 0.00 O ATOM 753 CB GLN A 48 -11.355 6.564 -0.196 1.00 0.00 C ATOM 754 CG GLN A 48 -11.812 6.609 1.260 1.00 0.00 C ATOM 755 CD GLN A 48 -13.046 7.505 1.381 1.00 0.00 C ATOM 756 OE1 GLN A 48 -13.012 8.711 0.882 1.00 0.00 O flip ATOM 757 NE2 GLN A 48 -14.050 7.105 1.936 1.00 0.00 N flip ATOM 0 H GLN A 48 -9.180 7.228 0.849 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.279 4.740 0.179 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.146 7.572 -0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.149 6.161 -0.825 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.044 5.603 1.610 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -11.010 6.990 1.892 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.076 6.163 2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.867 7.711 2.012 1.00 0.00 H new ATOM 766 N GLU A 49 -9.202 6.451 -2.428 1.00 0.00 N ATOM 767 CA GLU A 49 -8.881 6.307 -3.869 1.00 0.00 C ATOM 768 C GLU A 49 -7.768 5.274 -4.074 1.00 0.00 C ATOM 769 O GLU A 49 -7.813 4.475 -4.987 1.00 0.00 O ATOM 770 CB GLU A 49 -8.434 7.663 -4.427 1.00 0.00 C ATOM 771 CG GLU A 49 -9.654 8.570 -4.614 1.00 0.00 C ATOM 772 CD GLU A 49 -10.365 8.756 -3.273 1.00 0.00 C ATOM 773 OE1 GLU A 49 -11.112 7.870 -2.892 1.00 0.00 O ATOM 774 OE2 GLU A 49 -10.150 9.782 -2.648 1.00 0.00 O ATOM 0 H GLU A 49 -8.939 7.344 -2.011 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.772 5.965 -4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.722 8.130 -3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.922 7.525 -5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.344 9.537 -5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.337 8.132 -5.342 1.00 0.00 H new ATOM 781 N VAL A 50 -6.769 5.275 -3.224 1.00 0.00 N ATOM 782 CA VAL A 50 -5.674 4.277 -3.382 1.00 0.00 C ATOM 783 C VAL A 50 -6.215 2.894 -3.046 1.00 0.00 C ATOM 784 O VAL A 50 -6.065 1.956 -3.802 1.00 0.00 O ATOM 785 CB VAL A 50 -4.498 4.579 -2.438 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.354 3.602 -2.732 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.006 6.028 -2.640 1.00 0.00 C ATOM 0 H VAL A 50 -6.668 5.917 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.318 4.323 -4.411 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.829 4.463 -1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.517 3.811 -2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.698 2.580 -2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.032 3.719 -3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.174 6.227 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.677 6.160 -3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.820 6.721 -2.427 1.00 0.00 H new ATOM 797 N VAL A 51 -6.813 2.747 -1.891 1.00 0.00 N ATOM 798 CA VAL A 51 -7.318 1.411 -1.488 1.00 0.00 C ATOM 799 C VAL A 51 -8.349 0.908 -2.509 1.00 0.00 C ATOM 800 O VAL A 51 -8.257 -0.188 -3.019 1.00 0.00 O ATOM 801 CB VAL A 51 -7.883 1.489 -0.063 1.00 0.00 C ATOM 802 CG1 VAL A 51 -8.290 0.105 0.418 1.00 0.00 C ATOM 803 CG2 VAL A 51 -6.814 2.055 0.881 1.00 0.00 C ATOM 0 H VAL A 51 -6.970 3.495 -1.215 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.505 0.686 -1.479 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.758 2.139 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.689 0.174 1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.053 -0.301 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.420 -0.552 0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.215 2.111 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.940 1.404 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.527 3.053 0.549 1.00 0.00 H new ATOM 813 N ASP A 52 -9.366 1.694 -2.752 1.00 0.00 N ATOM 814 CA ASP A 52 -10.463 1.272 -3.675 1.00 0.00 C ATOM 815 C ASP A 52 -9.963 1.043 -5.102 1.00 0.00 C ATOM 816 O ASP A 52 -10.368 0.112 -5.768 1.00 0.00 O ATOM 817 CB ASP A 52 -11.539 2.362 -3.692 1.00 0.00 C ATOM 818 CG ASP A 52 -12.013 2.631 -2.263 1.00 0.00 C ATOM 819 OD1 ASP A 52 -11.188 2.576 -1.366 1.00 0.00 O ATOM 820 OD2 ASP A 52 -13.193 2.889 -2.089 1.00 0.00 O ATOM 0 H ASP A 52 -9.485 2.622 -2.345 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.864 0.327 -3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.140 3.276 -4.132 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.379 2.050 -4.313 1.00 0.00 H new ATOM 825 N THR A 53 -9.107 1.897 -5.587 1.00 0.00 N ATOM 826 CA THR A 53 -8.605 1.744 -6.980 1.00 0.00 C ATOM 827 C THR A 53 -7.402 0.809 -7.024 1.00 0.00 C ATOM 828 O THR A 53 -7.266 0.029 -7.945 1.00 0.00 O ATOM 829 CB THR A 53 -8.201 3.116 -7.524 1.00 0.00 C ATOM 830 OG1 THR A 53 -9.239 4.050 -7.261 1.00 0.00 O ATOM 831 CG2 THR A 53 -7.968 3.021 -9.032 1.00 0.00 C ATOM 0 H THR A 53 -8.732 2.697 -5.077 1.00 0.00 H new ATOM 0 HA THR A 53 -9.399 1.316 -7.592 1.00 0.00 H new ATOM 0 HB THR A 53 -7.282 3.445 -7.038 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.067 4.498 -6.406 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.680 3.999 -9.418 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.173 2.303 -9.233 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.885 2.693 -9.522 1.00 0.00 H new ATOM 839 N TYR A 54 -6.511 0.891 -6.066 1.00 0.00 N ATOM 840 CA TYR A 54 -5.297 0.012 -6.098 1.00 0.00 C ATOM 841 C TYR A 54 -5.317 -1.050 -4.992 1.00 0.00 C ATOM 842 O TYR A 54 -4.296 -1.437 -4.467 1.00 0.00 O ATOM 843 CB TYR A 54 -4.052 0.875 -5.950 1.00 0.00 C ATOM 844 CG TYR A 54 -3.890 1.740 -7.177 1.00 0.00 C ATOM 845 CD1 TYR A 54 -4.489 3.000 -7.217 1.00 0.00 C ATOM 846 CD2 TYR A 54 -3.140 1.289 -8.269 1.00 0.00 C ATOM 847 CE1 TYR A 54 -4.345 3.815 -8.339 1.00 0.00 C ATOM 848 CE2 TYR A 54 -2.993 2.103 -9.400 1.00 0.00 C ATOM 849 CZ TYR A 54 -3.596 3.369 -9.435 1.00 0.00 C ATOM 850 OH TYR A 54 -3.452 4.172 -10.548 1.00 0.00 O ATOM 0 H TYR A 54 -6.569 1.523 -5.268 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.291 -0.512 -7.054 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.133 1.499 -5.060 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.173 0.244 -5.818 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.068 3.346 -6.373 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.675 0.315 -8.240 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.811 4.789 -8.363 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.416 1.756 -10.244 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.902 3.711 -11.215 1.00 0.00 H new ATOM 860 N GLY A 55 -6.485 -1.485 -4.603 1.00 0.00 N ATOM 861 CA GLY A 55 -6.592 -2.477 -3.495 1.00 0.00 C ATOM 862 C GLY A 55 -6.331 -3.899 -3.983 1.00 0.00 C ATOM 863 O GLY A 55 -5.503 -4.600 -3.437 1.00 0.00 O ATOM 0 H GLY A 55 -7.375 -1.194 -5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.878 -2.225 -2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.586 -2.421 -3.051 1.00 0.00 H new ATOM 867 N SER A 56 -7.036 -4.356 -4.981 1.00 0.00 N ATOM 868 CA SER A 56 -6.808 -5.749 -5.437 1.00 0.00 C ATOM 869 C SER A 56 -5.422 -5.869 -6.061 1.00 0.00 C ATOM 870 O SER A 56 -4.821 -6.924 -6.079 1.00 0.00 O ATOM 871 CB SER A 56 -7.874 -6.157 -6.457 1.00 0.00 C ATOM 872 OG SER A 56 -9.034 -5.356 -6.271 1.00 0.00 O ATOM 0 H SER A 56 -7.748 -3.833 -5.491 1.00 0.00 H new ATOM 0 HA SER A 56 -6.874 -6.414 -4.576 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.491 -6.033 -7.470 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.123 -7.211 -6.338 1.00 0.00 H new ATOM 0 HG SER A 56 -9.718 -5.614 -6.924 1.00 0.00 H new ATOM 878 N SER A 57 -4.945 -4.799 -6.645 1.00 0.00 N ATOM 879 CA SER A 57 -3.638 -4.875 -7.349 1.00 0.00 C ATOM 880 C SER A 57 -2.482 -4.905 -6.355 1.00 0.00 C ATOM 881 O SER A 57 -1.631 -5.764 -6.426 1.00 0.00 O ATOM 882 CB SER A 57 -3.482 -3.705 -8.320 1.00 0.00 C ATOM 883 OG SER A 57 -3.338 -2.498 -7.582 1.00 0.00 O ATOM 0 H SER A 57 -5.401 -3.887 -6.663 1.00 0.00 H new ATOM 0 HA SER A 57 -3.616 -5.803 -7.920 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.612 -3.861 -8.958 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.351 -3.643 -8.975 1.00 0.00 H new ATOM 0 HG SER A 57 -3.236 -1.746 -8.202 1.00 0.00 H new ATOM 889 N ILE A 58 -2.464 -4.028 -5.388 1.00 0.00 N ATOM 890 CA ILE A 58 -1.372 -4.083 -4.377 1.00 0.00 C ATOM 891 C ILE A 58 -1.339 -5.499 -3.808 1.00 0.00 C ATOM 892 O ILE A 58 -0.306 -6.123 -3.670 1.00 0.00 O ATOM 893 CB ILE A 58 -1.665 -3.085 -3.241 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.432 -1.650 -3.751 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.726 -3.370 -2.056 1.00 0.00 C ATOM 896 CD1 ILE A 58 -1.886 -0.621 -2.701 1.00 0.00 C ATOM 0 H ILE A 58 -3.150 -3.285 -5.255 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.416 -3.826 -4.834 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.700 -3.192 -2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.375 -1.506 -3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.980 -1.495 -4.680 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.932 -2.665 -1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.890 -4.387 -1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.310 -3.261 -2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.713 0.386 -3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.948 -0.754 -2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.319 -0.765 -1.782 1.00 0.00 H new ATOM 908 N LEU A 59 -2.497 -5.982 -3.473 1.00 0.00 N ATOM 909 CA LEU A 59 -2.639 -7.343 -2.895 1.00 0.00 C ATOM 910 C LEU A 59 -2.166 -8.403 -3.891 1.00 0.00 C ATOM 911 O LEU A 59 -1.795 -9.485 -3.490 1.00 0.00 O ATOM 912 CB LEU A 59 -4.137 -7.581 -2.572 1.00 0.00 C ATOM 913 CG LEU A 59 -4.421 -7.604 -1.068 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.688 -8.778 -0.395 1.00 0.00 C ATOM 915 CD2 LEU A 59 -4.002 -6.276 -0.429 1.00 0.00 C ATOM 0 H LEU A 59 -3.376 -5.476 -3.579 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.031 -7.419 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.734 -6.797 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.453 -8.527 -3.012 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.492 -7.740 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.903 -8.777 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.027 -9.717 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.614 -8.673 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.209 -6.306 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.935 -6.116 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.563 -5.460 -0.885 1.00 0.00 H new ATOM 927 N SER A 60 -2.216 -8.158 -5.175 1.00 0.00 N ATOM 928 CA SER A 60 -1.808 -9.247 -6.116 1.00 0.00 C ATOM 929 C SER A 60 -0.288 -9.277 -6.274 1.00 0.00 C ATOM 930 O SER A 60 0.318 -10.316 -6.454 1.00 0.00 O ATOM 931 CB SER A 60 -2.463 -8.996 -7.466 1.00 0.00 C ATOM 932 OG SER A 60 -1.830 -9.794 -8.457 1.00 0.00 O ATOM 0 H SER A 60 -2.511 -7.281 -5.604 1.00 0.00 H new ATOM 0 HA SER A 60 -2.129 -10.209 -5.717 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.525 -9.234 -7.416 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.385 -7.941 -7.729 1.00 0.00 H new ATOM 0 HG SER A 60 -2.253 -9.633 -9.326 1.00 0.00 H new ATOM 938 N ILE A 61 0.322 -8.125 -6.228 1.00 0.00 N ATOM 939 CA ILE A 61 1.799 -8.032 -6.393 1.00 0.00 C ATOM 940 C ILE A 61 2.532 -8.574 -5.163 1.00 0.00 C ATOM 941 O ILE A 61 3.484 -9.321 -5.270 1.00 0.00 O ATOM 942 CB ILE A 61 2.172 -6.559 -6.611 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.261 -5.970 -7.733 1.00 0.00 C ATOM 944 CG2 ILE A 61 3.666 -6.458 -6.968 1.00 0.00 C ATOM 945 CD1 ILE A 61 2.027 -5.010 -8.655 1.00 0.00 C ATOM 0 H ILE A 61 -0.148 -7.232 -6.081 1.00 0.00 H new ATOM 0 HA ILE A 61 2.099 -8.635 -7.250 1.00 0.00 H new ATOM 0 HB ILE A 61 2.010 -5.979 -5.703 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.843 -6.784 -8.325 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.422 -5.443 -7.279 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.933 -5.413 -7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.263 -6.868 -6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.861 -7.022 -7.880 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.353 -4.625 -9.420 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.422 -4.180 -8.069 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.850 -5.542 -9.131 1.00 0.00 H new ATOM 957 N LEU A 62 2.106 -8.172 -3.995 1.00 0.00 N ATOM 958 CA LEU A 62 2.780 -8.622 -2.750 1.00 0.00 C ATOM 959 C LEU A 62 2.793 -10.155 -2.708 1.00 0.00 C ATOM 960 O LEU A 62 3.750 -10.769 -2.282 1.00 0.00 O ATOM 961 CB LEU A 62 2.012 -8.036 -1.543 1.00 0.00 C ATOM 962 CG LEU A 62 2.888 -7.026 -0.782 1.00 0.00 C ATOM 963 CD1 LEU A 62 2.004 -6.136 0.099 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.902 -7.791 0.080 1.00 0.00 C ATOM 0 H LEU A 62 1.313 -7.546 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 62 3.812 -8.274 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.100 -7.548 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.709 -8.840 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 62 3.423 -6.393 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.628 -5.422 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.292 -5.597 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.463 -6.755 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.527 -7.082 0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.371 -8.424 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.529 -8.411 -0.560 1.00 0.00 H new ATOM 976 N LEU A 63 1.736 -10.773 -3.152 1.00 0.00 N ATOM 977 CA LEU A 63 1.681 -12.258 -3.146 1.00 0.00 C ATOM 978 C LEU A 63 2.628 -12.814 -4.203 1.00 0.00 C ATOM 979 O LEU A 63 2.978 -13.977 -4.188 1.00 0.00 O ATOM 980 CB LEU A 63 0.250 -12.723 -3.412 1.00 0.00 C ATOM 981 CG LEU A 63 -0.674 -12.174 -2.318 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.117 -12.584 -2.625 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.252 -12.725 -0.943 1.00 0.00 C ATOM 0 H LEU A 63 0.905 -10.311 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 63 1.993 -12.628 -2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.081 -12.376 -4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.206 -13.812 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.601 -11.087 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.778 -12.196 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.413 -12.177 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.188 -13.671 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.915 -12.329 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.316 -13.813 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.773 -12.423 -0.729 1.00 0.00 H new ATOM 995 N GLU A 64 3.048 -11.991 -5.125 1.00 0.00 N ATOM 996 CA GLU A 64 3.976 -12.472 -6.184 1.00 0.00 C ATOM 997 C GLU A 64 5.407 -12.378 -5.643 1.00 0.00 C ATOM 998 O GLU A 64 6.365 -12.200 -6.369 1.00 0.00 O ATOM 999 CB GLU A 64 3.790 -11.622 -7.444 1.00 0.00 C ATOM 1000 CG GLU A 64 4.385 -12.341 -8.656 1.00 0.00 C ATOM 1001 CD GLU A 64 3.505 -13.538 -9.022 1.00 0.00 C ATOM 1002 OE1 GLU A 64 2.498 -13.328 -9.679 1.00 0.00 O ATOM 1003 OE2 GLU A 64 3.853 -14.642 -8.641 1.00 0.00 O ATOM 0 H GLU A 64 2.788 -11.007 -5.189 1.00 0.00 H new ATOM 0 HA GLU A 64 3.768 -13.508 -6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.730 -11.430 -7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.272 -10.653 -7.313 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.455 -11.656 -9.501 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.398 -12.676 -8.433 1.00 0.00 H new ATOM 1010 N GLU A 65 5.536 -12.559 -4.357 1.00 0.00 N ATOM 1011 CA GLU A 65 6.880 -12.559 -3.714 1.00 0.00 C ATOM 1012 C GLU A 65 7.735 -11.364 -4.148 1.00 0.00 C ATOM 1013 O GLU A 65 8.947 -11.444 -4.203 1.00 0.00 O ATOM 1014 CB GLU A 65 7.603 -13.830 -4.157 1.00 0.00 C ATOM 1015 CG GLU A 65 6.877 -15.055 -3.599 1.00 0.00 C ATOM 1016 CD GLU A 65 7.120 -15.152 -2.092 1.00 0.00 C ATOM 1017 OE1 GLU A 65 8.219 -15.523 -1.712 1.00 0.00 O ATOM 1018 OE2 GLU A 65 6.205 -14.852 -1.344 1.00 0.00 O ATOM 0 H GLU A 65 4.756 -12.709 -3.717 1.00 0.00 H new ATOM 0 HA GLU A 65 6.741 -12.503 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.638 -13.880 -5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.635 -13.815 -3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.809 -14.981 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.233 -15.958 -4.094 1.00 0.00 H new ATOM 1025 N VAL A 66 7.116 -10.248 -4.428 1.00 0.00 N ATOM 1026 CA VAL A 66 7.890 -9.028 -4.826 1.00 0.00 C ATOM 1027 C VAL A 66 8.171 -8.199 -3.558 1.00 0.00 C ATOM 1028 O VAL A 66 7.360 -8.143 -2.654 1.00 0.00 O ATOM 1029 CB VAL A 66 7.046 -8.218 -5.839 1.00 0.00 C ATOM 1030 CG1 VAL A 66 7.360 -6.718 -5.748 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.353 -8.704 -7.263 1.00 0.00 C ATOM 0 H VAL A 66 6.104 -10.125 -4.399 1.00 0.00 H new ATOM 0 HA VAL A 66 8.838 -9.295 -5.294 1.00 0.00 H new ATOM 0 HB VAL A 66 5.993 -8.370 -5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.752 -6.174 -6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.136 -6.360 -4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.415 -6.553 -5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.759 -8.134 -7.978 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.412 -8.561 -7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.106 -9.762 -7.348 1.00 0.00 H new ATOM 1041 N SER A 67 9.312 -7.562 -3.482 1.00 0.00 N ATOM 1042 CA SER A 67 9.634 -6.749 -2.268 1.00 0.00 C ATOM 1043 C SER A 67 8.476 -5.754 -2.000 1.00 0.00 C ATOM 1044 O SER A 67 7.788 -5.374 -2.925 1.00 0.00 O ATOM 1045 CB SER A 67 10.957 -5.998 -2.499 1.00 0.00 C ATOM 1046 OG SER A 67 11.747 -6.062 -1.319 1.00 0.00 O ATOM 0 H SER A 67 10.032 -7.569 -4.204 1.00 0.00 H new ATOM 0 HA SER A 67 9.747 -7.396 -1.398 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.497 -6.439 -3.336 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.757 -4.959 -2.761 1.00 0.00 H new ATOM 0 HG SER A 67 12.591 -5.586 -1.464 1.00 0.00 H new ATOM 1052 N PRO A 68 8.274 -5.366 -0.752 1.00 0.00 N ATOM 1053 CA PRO A 68 7.178 -4.432 -0.403 1.00 0.00 C ATOM 1054 C PRO A 68 7.402 -3.017 -0.978 1.00 0.00 C ATOM 1055 O PRO A 68 6.471 -2.373 -1.408 1.00 0.00 O ATOM 1056 CB PRO A 68 7.189 -4.379 1.145 1.00 0.00 C ATOM 1057 CG PRO A 68 8.492 -5.074 1.622 1.00 0.00 C ATOM 1058 CD PRO A 68 9.086 -5.816 0.407 1.00 0.00 C ATOM 0 HA PRO A 68 6.230 -4.773 -0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.154 -3.347 1.494 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.313 -4.883 1.553 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.200 -4.340 2.008 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.281 -5.771 2.433 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.139 -5.570 0.270 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.025 -6.897 0.536 1.00 0.00 H new ATOM 1066 N GLU A 69 8.603 -2.503 -0.946 1.00 0.00 N ATOM 1067 CA GLU A 69 8.818 -1.108 -1.452 1.00 0.00 C ATOM 1068 C GLU A 69 8.822 -1.082 -2.988 1.00 0.00 C ATOM 1069 O GLU A 69 8.655 -0.037 -3.605 1.00 0.00 O ATOM 1070 CB GLU A 69 10.146 -0.543 -0.891 1.00 0.00 C ATOM 1071 CG GLU A 69 11.092 -1.684 -0.497 1.00 0.00 C ATOM 1072 CD GLU A 69 12.446 -1.103 -0.091 1.00 0.00 C ATOM 1073 OE1 GLU A 69 12.931 -0.233 -0.796 1.00 0.00 O ATOM 1074 OE2 GLU A 69 12.977 -1.537 0.918 1.00 0.00 O ATOM 0 H GLU A 69 9.436 -2.977 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 69 7.997 -0.479 -1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.623 0.091 -1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.943 0.085 -0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.667 -2.255 0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.215 -2.374 -1.332 1.00 0.00 H new ATOM 1081 N LEU A 70 8.973 -2.208 -3.624 1.00 0.00 N ATOM 1082 CA LEU A 70 8.953 -2.189 -5.108 1.00 0.00 C ATOM 1083 C LEU A 70 7.504 -1.937 -5.538 1.00 0.00 C ATOM 1084 O LEU A 70 7.225 -1.614 -6.675 1.00 0.00 O ATOM 1085 CB LEU A 70 9.487 -3.515 -5.675 1.00 0.00 C ATOM 1086 CG LEU A 70 11.013 -3.591 -5.529 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.505 -4.967 -6.005 1.00 0.00 C ATOM 1088 CD2 LEU A 70 11.708 -2.482 -6.351 1.00 0.00 C ATOM 0 H LEU A 70 9.107 -3.122 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 70 9.600 -1.403 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.024 -4.352 -5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.212 -3.604 -6.726 1.00 0.00 H new ATOM 0 HG LEU A 70 11.265 -3.447 -4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.589 -5.022 -5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.043 -5.748 -5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.233 -5.109 -7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.788 -2.561 -6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.453 -2.596 -7.405 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.373 -1.506 -6.001 1.00 0.00 H new ATOM 1100 N VAL A 71 6.577 -2.107 -4.625 1.00 0.00 N ATOM 1101 CA VAL A 71 5.140 -1.903 -4.973 1.00 0.00 C ATOM 1102 C VAL A 71 4.890 -0.443 -5.341 1.00 0.00 C ATOM 1103 O VAL A 71 4.338 -0.157 -6.380 1.00 0.00 O ATOM 1104 CB VAL A 71 4.233 -2.323 -3.786 1.00 0.00 C ATOM 1105 CG1 VAL A 71 2.853 -1.619 -3.839 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.037 -3.843 -3.805 1.00 0.00 C ATOM 0 H VAL A 71 6.755 -2.377 -3.658 1.00 0.00 H new ATOM 0 HA VAL A 71 4.896 -2.527 -5.833 1.00 0.00 H new ATOM 0 HB VAL A 71 4.726 -2.019 -2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.248 -1.940 -2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.994 -0.539 -3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.346 -1.882 -4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.400 -4.138 -2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.567 -4.137 -4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.005 -4.336 -3.714 1.00 0.00 H new ATOM 1116 N CYS A 72 5.230 0.491 -4.502 1.00 0.00 N ATOM 1117 CA CYS A 72 4.913 1.897 -4.856 1.00 0.00 C ATOM 1118 C CYS A 72 5.715 2.346 -6.091 1.00 0.00 C ATOM 1119 O CYS A 72 5.282 3.193 -6.847 1.00 0.00 O ATOM 1120 CB CYS A 72 5.225 2.810 -3.663 1.00 0.00 C ATOM 1121 SG CYS A 72 4.209 2.347 -2.248 1.00 0.00 S ATOM 0 H CYS A 72 5.702 0.348 -3.609 1.00 0.00 H new ATOM 0 HA CYS A 72 3.852 1.966 -5.098 1.00 0.00 H new ATOM 0 HB2 CYS A 72 6.281 2.734 -3.403 1.00 0.00 H new ATOM 0 HB3 CYS A 72 5.037 3.850 -3.931 1.00 0.00 H new ATOM 1126 N SER A 73 6.882 1.782 -6.301 1.00 0.00 N ATOM 1127 CA SER A 73 7.697 2.186 -7.494 1.00 0.00 C ATOM 1128 C SER A 73 7.144 1.553 -8.793 1.00 0.00 C ATOM 1129 O SER A 73 7.141 2.183 -9.831 1.00 0.00 O ATOM 1130 CB SER A 73 9.150 1.763 -7.294 1.00 0.00 C ATOM 1131 OG SER A 73 9.980 2.498 -8.184 1.00 0.00 O ATOM 0 H SER A 73 7.302 1.068 -5.706 1.00 0.00 H new ATOM 0 HA SER A 73 7.639 3.270 -7.592 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.454 1.942 -6.263 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.258 0.694 -7.477 1.00 0.00 H new ATOM 0 HG SER A 73 10.914 2.230 -8.057 1.00 0.00 H new ATOM 1137 N MET A 74 6.684 0.330 -8.758 1.00 0.00 N ATOM 1138 CA MET A 74 6.145 -0.311 -10.010 1.00 0.00 C ATOM 1139 C MET A 74 4.772 0.285 -10.386 1.00 0.00 C ATOM 1140 O MET A 74 4.489 0.492 -11.549 1.00 0.00 O ATOM 1141 CB MET A 74 5.995 -1.844 -9.790 1.00 0.00 C ATOM 1142 CG MET A 74 7.203 -2.620 -10.350 1.00 0.00 C ATOM 1143 SD MET A 74 6.753 -4.363 -10.585 1.00 0.00 S ATOM 1144 CE MET A 74 5.866 -4.628 -9.026 1.00 0.00 C ATOM 0 H MET A 74 6.655 -0.256 -7.924 1.00 0.00 H new ATOM 0 HA MET A 74 6.845 -0.118 -10.823 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.892 -2.051 -8.725 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.082 -2.194 -10.273 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.520 -2.185 -11.298 1.00 0.00 H new ATOM 0 HG3 MET A 74 8.047 -2.541 -9.665 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.771 -5.698 -8.838 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.419 -4.164 -8.209 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.874 -4.182 -9.092 1.00 0.00 H new ATOM 1154 N LEU A 75 3.912 0.541 -9.440 1.00 0.00 N ATOM 1155 CA LEU A 75 2.570 1.092 -9.801 1.00 0.00 C ATOM 1156 C LEU A 75 2.693 2.555 -10.253 1.00 0.00 C ATOM 1157 O LEU A 75 1.729 3.292 -10.257 1.00 0.00 O ATOM 1158 CB LEU A 75 1.623 0.990 -8.597 1.00 0.00 C ATOM 1159 CG LEU A 75 1.555 -0.462 -8.082 1.00 0.00 C ATOM 1160 CD1 LEU A 75 0.478 -0.577 -6.999 1.00 0.00 C ATOM 1161 CD2 LEU A 75 1.225 -1.426 -9.234 1.00 0.00 C ATOM 0 H LEU A 75 4.074 0.396 -8.443 1.00 0.00 H new ATOM 0 HA LEU A 75 2.163 0.508 -10.626 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.967 1.649 -7.800 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.626 1.328 -8.882 1.00 0.00 H new ATOM 0 HG LEU A 75 2.526 -0.728 -7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.433 -1.604 -6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.722 0.088 -6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.489 -0.297 -7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.181 -2.446 -8.853 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.261 -1.158 -9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.999 -1.357 -9.999 1.00 0.00 H new ATOM 1173 N HIS A 76 3.878 2.977 -10.620 1.00 0.00 N ATOM 1174 CA HIS A 76 4.088 4.393 -11.071 1.00 0.00 C ATOM 1175 C HIS A 76 3.402 5.359 -10.096 1.00 0.00 C ATOM 1176 O HIS A 76 3.089 6.475 -10.459 1.00 0.00 O ATOM 1177 CB HIS A 76 3.537 4.585 -12.492 1.00 0.00 C ATOM 1178 CG HIS A 76 2.034 4.558 -12.479 1.00 0.00 C ATOM 1179 ND1 HIS A 76 1.279 5.612 -11.989 1.00 0.00 N ATOM 1180 CD2 HIS A 76 1.131 3.608 -12.890 1.00 0.00 C ATOM 1181 CE1 HIS A 76 -0.019 5.274 -12.115 1.00 0.00 C ATOM 1182 NE2 HIS A 76 -0.165 4.062 -12.658 1.00 0.00 N ATOM 0 H HIS A 76 4.718 2.398 -10.627 1.00 0.00 H new ATOM 0 HA HIS A 76 5.157 4.607 -11.083 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.887 5.534 -12.899 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.916 3.799 -13.145 1.00 0.00 H new ATOM 0 HD1 HIS A 76 1.640 6.484 -11.603 1.00 0.00 H new ATOM 0 HD2 HIS A 76 1.387 2.654 -13.327 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -0.841 5.906 -11.814 1.00 0.00 H new ATOM 1190 N LEU A 77 3.158 4.972 -8.880 1.00 0.00 N ATOM 1191 CA LEU A 77 2.487 5.916 -7.937 1.00 0.00 C ATOM 1192 C LEU A 77 3.526 6.855 -7.313 1.00 0.00 C ATOM 1193 O LEU A 77 3.180 7.836 -6.685 1.00 0.00 O ATOM 1194 CB LEU A 77 1.759 5.129 -6.828 1.00 0.00 C ATOM 1195 CG LEU A 77 0.453 4.461 -7.328 1.00 0.00 C ATOM 1196 CD1 LEU A 77 -0.333 3.969 -6.108 1.00 0.00 C ATOM 1197 CD2 LEU A 77 -0.437 5.446 -8.115 1.00 0.00 C ATOM 0 H LEU A 77 3.389 4.055 -8.497 1.00 0.00 H new ATOM 0 HA LEU A 77 1.756 6.507 -8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.426 4.363 -6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.525 5.803 -6.004 1.00 0.00 H new ATOM 0 HG LEU A 77 0.723 3.642 -7.994 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.257 3.495 -6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.268 3.247 -5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.569 4.815 -5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.341 4.935 -8.446 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.708 6.284 -7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.109 5.816 -8.983 1.00 0.00 H new ATOM 1209 N CYS A 78 4.796 6.582 -7.506 1.00 0.00 N ATOM 1210 CA CYS A 78 5.868 7.478 -6.953 1.00 0.00 C ATOM 1211 C CYS A 78 6.845 7.816 -8.093 1.00 0.00 C ATOM 1212 O CYS A 78 7.679 7.005 -8.445 1.00 0.00 O ATOM 1213 CB CYS A 78 6.626 6.751 -5.829 1.00 0.00 C ATOM 1214 SG CYS A 78 6.907 7.885 -4.441 1.00 0.00 S ATOM 0 H CYS A 78 5.139 5.774 -8.025 1.00 0.00 H new ATOM 0 HA CYS A 78 5.424 8.388 -6.548 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.054 5.886 -5.493 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.579 6.377 -6.204 1.00 0.00 H new ATOM 1219 N SER A 79 6.730 8.954 -8.727 1.00 0.00 N ATOM 1220 CA SER A 79 7.648 9.213 -9.878 1.00 0.00 C ATOM 1221 C SER A 79 9.099 9.343 -9.385 1.00 0.00 C ATOM 1222 O SER A 79 9.352 9.368 -8.198 1.00 0.00 O ATOM 1223 CB SER A 79 7.212 10.462 -10.644 1.00 0.00 C ATOM 1224 OG SER A 79 8.249 10.852 -11.536 1.00 0.00 O ATOM 0 H SER A 79 6.063 9.694 -8.508 1.00 0.00 H new ATOM 0 HA SER A 79 7.597 8.367 -10.563 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.296 10.261 -11.199 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.992 11.271 -9.948 1.00 0.00 H new ATOM 0 HG SER A 79 7.972 11.652 -12.030 1.00 0.00 H new ATOM 1230 N GLY A 80 10.056 9.435 -10.281 1.00 0.00 N ATOM 1231 CA GLY A 80 11.482 9.571 -9.849 1.00 0.00 C ATOM 1232 C GLY A 80 11.874 11.049 -9.857 1.00 0.00 C ATOM 1233 O GLY A 80 11.065 11.914 -10.132 1.00 0.00 O ATOM 0 H GLY A 80 9.909 9.422 -11.290 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.613 9.154 -8.851 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.132 9.007 -10.518 1.00 0.00 H new ATOM 1237 N LEU A 81 13.110 11.348 -9.561 1.00 0.00 N ATOM 1238 CA LEU A 81 13.550 12.772 -9.556 1.00 0.00 C ATOM 1239 C LEU A 81 13.780 13.236 -10.995 1.00 0.00 C ATOM 1240 O LEU A 81 14.902 13.332 -11.451 1.00 0.00 O ATOM 1241 CB LEU A 81 14.853 12.904 -8.763 1.00 0.00 C ATOM 1242 CG LEU A 81 14.752 12.091 -7.472 1.00 0.00 C ATOM 1243 CD1 LEU A 81 16.030 12.280 -6.654 1.00 0.00 C ATOM 1244 CD2 LEU A 81 13.545 12.569 -6.658 1.00 0.00 C ATOM 0 H LEU A 81 13.833 10.669 -9.323 1.00 0.00 H new ATOM 0 HA LEU A 81 12.780 13.389 -9.091 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.693 12.551 -9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 81 15.045 13.952 -8.531 1.00 0.00 H new ATOM 0 HG LEU A 81 14.627 11.036 -7.714 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.961 11.702 -5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.887 11.938 -7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.154 13.335 -6.411 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.474 11.989 -5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.666 13.624 -6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.635 12.434 -7.243 1.00 0.00 H new ATOM 1256 N VAL A 82 12.722 13.516 -11.714 1.00 0.00 N ATOM 1257 CA VAL A 82 12.853 13.971 -13.137 1.00 0.00 C ATOM 1258 C VAL A 82 12.334 15.423 -13.263 1.00 0.00 C ATOM 1259 O VAL A 82 11.155 15.618 -13.479 1.00 0.00 O ATOM 1260 CB VAL A 82 11.995 13.048 -14.021 1.00 0.00 C ATOM 1261 CG1 VAL A 82 12.779 11.774 -14.356 1.00 0.00 C ATOM 1262 CG2 VAL A 82 10.715 12.666 -13.270 1.00 0.00 C ATOM 0 H VAL A 82 11.763 13.449 -11.374 1.00 0.00 H new ATOM 0 HA VAL A 82 13.897 13.933 -13.449 1.00 0.00 H new ATOM 0 HB VAL A 82 11.741 13.572 -14.942 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.167 11.124 -14.982 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.691 12.038 -14.890 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.037 11.252 -13.434 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.107 12.012 -13.896 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.975 12.146 -12.348 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.150 13.567 -13.031 1.00 0.00 H new ATOM 1272 N PRO A 83 13.205 16.411 -13.121 1.00 0.00 N ATOM 1273 CA PRO A 83 12.774 17.820 -13.222 1.00 0.00 C ATOM 1274 C PRO A 83 12.252 18.104 -14.639 1.00 0.00 C ATOM 1275 O PRO A 83 11.896 19.219 -14.967 1.00 0.00 O ATOM 1276 CB PRO A 83 14.039 18.653 -12.901 1.00 0.00 C ATOM 1277 CG PRO A 83 15.198 17.652 -12.620 1.00 0.00 C ATOM 1278 CD PRO A 83 14.652 16.228 -12.857 1.00 0.00 C ATOM 0 HA PRO A 83 11.961 18.064 -12.539 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.290 19.306 -13.737 1.00 0.00 H new ATOM 0 HB3 PRO A 83 13.867 19.294 -12.036 1.00 0.00 H new ATOM 0 HG2 PRO A 83 16.044 17.852 -13.277 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.557 17.759 -11.596 1.00 0.00 H new ATOM 0 HD2 PRO A 83 15.150 15.750 -13.701 1.00 0.00 H new ATOM 0 HD3 PRO A 83 14.817 15.592 -11.987 1.00 0.00 H new ATOM 1286 N ARG A 84 12.207 17.104 -15.475 1.00 0.00 N ATOM 1287 CA ARG A 84 11.709 17.316 -16.864 1.00 0.00 C ATOM 1288 C ARG A 84 11.409 15.961 -17.509 1.00 0.00 C ATOM 1289 O ARG A 84 12.351 15.289 -17.895 1.00 0.00 O ATOM 1290 CB ARG A 84 12.776 18.045 -17.685 1.00 0.00 C ATOM 1291 CG ARG A 84 12.191 18.444 -19.042 1.00 0.00 C ATOM 1292 CD ARG A 84 13.256 19.174 -19.861 1.00 0.00 C ATOM 1293 NE ARG A 84 13.777 20.330 -19.078 1.00 0.00 N ATOM 1294 CZ ARG A 84 14.889 20.912 -19.435 1.00 0.00 C ATOM 1295 NH1 ARG A 84 15.538 20.492 -20.486 1.00 0.00 N ATOM 1296 NH2 ARG A 84 15.350 21.916 -18.740 1.00 0.00 N ATOM 1297 OXT ARG A 84 10.242 15.619 -17.605 1.00 0.00 O ATOM 0 H ARG A 84 12.493 16.150 -15.257 1.00 0.00 H new ATOM 0 HA ARG A 84 10.800 17.917 -16.836 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.119 18.931 -17.150 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.644 17.401 -17.826 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.849 17.558 -19.577 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.322 19.086 -18.901 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.070 18.493 -20.109 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.832 19.521 -20.803 1.00 0.00 H new ATOM 0 HE ARG A 84 13.264 20.666 -18.263 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.176 19.708 -21.029 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.407 20.947 -20.764 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.841 22.244 -17.919 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.219 22.372 -19.018 1.00 0.00 H new TER 1311 ARG A 84