USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 798 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 43 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.15) USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc=0.000506 USER MOD Set 2.1: A 28 HIS : no HD1:sc= 0 X(o=-7.8e-05,f=-0.059) USER MOD Set 2.2: A 62 GLN : amide:sc=-7.75e-05 X(o=-7.8e-05,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 23:sc= 0.259 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -174:sc= -1.43 (180deg=-1.54) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 26:sc= 0.584 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 158:sc= -0.0948 (180deg=-0.556) USER MOD Single : A 21 ASN : amide:sc= -3.43! C(o=-3.4!,f=-8.2!) USER MOD Single : A 22 THR OG1 : rot 16:sc= -3.95! USER MOD Single : A 26 GLN : amide:sc= -1.78 X(o=-1.8,f=-1.4) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -128:sc= -0.434 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= -0.522 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc=-0.00471 X(o=-0.0047,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -155:sc= 1.28 (180deg=0.943) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -4.38! C(o=-4.4!,f=-14!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -161:sc= -0.0536 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.527 21.736 1.127 1.00 0.00 N ATOM 2 CA GLY A 1 22.700 20.353 0.723 1.00 0.00 C ATOM 3 C GLY A 1 21.379 19.655 0.465 1.00 0.00 C ATOM 4 O GLY A 1 20.965 18.790 1.236 1.00 0.00 O ATOM 0 H1 GLY A 1 23.458 22.169 1.291 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.030 22.257 0.377 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.968 21.774 2.003 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.310 20.315 -0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.245 19.816 1.499 1.00 0.00 H new ATOM 8 N SER A 2 20.716 20.032 -0.624 1.00 0.00 N ATOM 9 CA SER A 2 19.431 19.440 -0.979 1.00 0.00 C ATOM 10 C SER A 2 18.536 19.306 0.250 1.00 0.00 C ATOM 11 O SER A 2 17.864 18.292 0.434 1.00 0.00 O ATOM 12 CB SER A 2 19.639 18.069 -1.625 1.00 0.00 C ATOM 13 OG SER A 2 20.412 17.224 -0.790 1.00 0.00 O ATOM 0 H SER A 2 21.047 20.744 -1.275 1.00 0.00 H new ATOM 0 HA SER A 2 18.940 20.100 -1.694 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.672 17.606 -1.822 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.137 18.189 -2.587 1.00 0.00 H new ATOM 0 HG SER A 2 20.347 17.533 0.138 1.00 0.00 H new ATOM 19 N SER A 3 18.534 20.338 1.087 1.00 0.00 N ATOM 20 CA SER A 3 17.725 20.336 2.301 1.00 0.00 C ATOM 21 C SER A 3 16.239 20.399 1.963 1.00 0.00 C ATOM 22 O SER A 3 15.727 21.440 1.554 1.00 0.00 O ATOM 23 CB SER A 3 18.107 21.517 3.195 1.00 0.00 C ATOM 24 OG SER A 3 17.902 21.207 4.563 1.00 0.00 O ATOM 0 H SER A 3 19.083 21.186 0.947 1.00 0.00 H new ATOM 0 HA SER A 3 17.919 19.407 2.836 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.152 21.779 3.031 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.513 22.390 2.924 1.00 0.00 H new ATOM 0 HG SER A 3 18.155 21.977 5.114 1.00 0.00 H new ATOM 30 N GLY A 4 15.550 19.274 2.138 1.00 0.00 N ATOM 31 CA GLY A 4 14.130 19.221 1.848 1.00 0.00 C ATOM 32 C GLY A 4 13.528 17.861 2.139 1.00 0.00 C ATOM 33 O GLY A 4 12.889 17.666 3.173 1.00 0.00 O ATOM 0 H GLY A 4 15.951 18.399 2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.613 19.977 2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.967 19.470 0.799 1.00 0.00 H new ATOM 37 N SER A 5 13.732 16.917 1.225 1.00 0.00 N ATOM 38 CA SER A 5 13.200 15.569 1.387 1.00 0.00 C ATOM 39 C SER A 5 13.805 14.890 2.612 1.00 0.00 C ATOM 40 O SER A 5 13.087 14.353 3.455 1.00 0.00 O ATOM 41 CB SER A 5 13.482 14.734 0.136 1.00 0.00 C ATOM 42 OG SER A 5 12.745 15.215 -0.975 1.00 0.00 O ATOM 0 H SER A 5 14.262 17.061 0.365 1.00 0.00 H new ATOM 0 HA SER A 5 12.122 15.645 1.530 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.548 14.762 -0.091 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.223 13.692 0.324 1.00 0.00 H new ATOM 0 HG SER A 5 12.944 14.666 -1.762 1.00 0.00 H new ATOM 48 N SER A 6 15.131 14.918 2.702 1.00 0.00 N ATOM 49 CA SER A 6 15.834 14.303 3.822 1.00 0.00 C ATOM 50 C SER A 6 15.164 12.994 4.230 1.00 0.00 C ATOM 51 O SER A 6 15.029 12.697 5.416 1.00 0.00 O ATOM 52 CB SER A 6 15.877 15.261 5.014 1.00 0.00 C ATOM 53 OG SER A 6 16.696 16.383 4.736 1.00 0.00 O ATOM 0 H SER A 6 15.740 15.360 2.013 1.00 0.00 H new ATOM 0 HA SER A 6 16.854 14.086 3.504 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.867 15.594 5.254 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.257 14.738 5.892 1.00 0.00 H new ATOM 0 HG SER A 6 16.706 16.981 5.512 1.00 0.00 H new ATOM 59 N GLY A 7 14.746 12.215 3.237 1.00 0.00 N ATOM 60 CA GLY A 7 14.094 10.948 3.512 1.00 0.00 C ATOM 61 C GLY A 7 14.380 9.906 2.448 1.00 0.00 C ATOM 62 O GLY A 7 14.997 10.190 1.422 1.00 0.00 O ATOM 0 H GLY A 7 14.847 12.439 2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.426 10.575 4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.018 11.105 3.583 1.00 0.00 H new ATOM 66 N PRO A 8 13.925 8.668 2.690 1.00 0.00 N ATOM 67 CA PRO A 8 14.124 7.555 1.757 1.00 0.00 C ATOM 68 C PRO A 8 13.303 7.714 0.482 1.00 0.00 C ATOM 69 O PRO A 8 12.452 8.597 0.386 1.00 0.00 O ATOM 70 CB PRO A 8 13.649 6.336 2.551 1.00 0.00 C ATOM 71 CG PRO A 8 12.681 6.884 3.543 1.00 0.00 C ATOM 72 CD PRO A 8 13.181 8.258 3.893 1.00 0.00 C ATOM 0 HA PRO A 8 15.159 7.485 1.422 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.176 5.600 1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.482 5.836 3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.676 6.929 3.124 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.629 6.250 4.428 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.360 8.941 4.110 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.822 8.240 4.775 1.00 0.00 H new ATOM 80 N GLY A 9 13.563 6.851 -0.496 1.00 0.00 N ATOM 81 CA GLY A 9 12.838 6.912 -1.751 1.00 0.00 C ATOM 82 C GLY A 9 11.570 6.082 -1.731 1.00 0.00 C ATOM 83 O GLY A 9 11.256 5.442 -0.727 1.00 0.00 O ATOM 0 H GLY A 9 14.263 6.111 -0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.586 7.949 -1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.484 6.563 -2.557 1.00 0.00 H new ATOM 87 N ARG A 10 10.839 6.094 -2.840 1.00 0.00 N ATOM 88 CA ARG A 10 9.596 5.338 -2.944 1.00 0.00 C ATOM 89 C ARG A 10 9.878 3.845 -3.082 1.00 0.00 C ATOM 90 O ARG A 10 10.657 3.410 -3.929 1.00 0.00 O ATOM 91 CB ARG A 10 8.777 5.826 -4.141 1.00 0.00 C ATOM 92 CG ARG A 10 9.600 6.025 -5.403 1.00 0.00 C ATOM 93 CD ARG A 10 8.719 6.081 -6.640 1.00 0.00 C ATOM 94 NE ARG A 10 9.497 5.982 -7.872 1.00 0.00 N ATOM 95 CZ ARG A 10 9.978 4.838 -8.347 1.00 0.00 C ATOM 96 NH1 ARG A 10 9.761 3.703 -7.698 1.00 0.00 N ATOM 97 NH2 ARG A 10 10.677 4.829 -9.475 1.00 0.00 N ATOM 0 H ARG A 10 11.085 6.619 -3.679 1.00 0.00 H new ATOM 0 HA ARG A 10 9.024 5.499 -2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.984 5.107 -4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.294 6.768 -3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 10 10.174 6.948 -5.322 1.00 0.00 H new ATOM 0 HG3 ARG A 10 10.318 5.211 -5.503 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.992 5.269 -6.604 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.155 7.014 -6.641 1.00 0.00 H new ATOM 0 HE ARG A 10 9.681 6.837 -8.396 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.223 3.706 -6.831 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.132 2.827 -8.065 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.845 5.700 -9.978 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.046 3.951 -9.839 1.00 0.00 H new ATOM 111 N PRO A 11 9.229 3.039 -2.228 1.00 0.00 N ATOM 112 CA PRO A 11 9.393 1.582 -2.234 1.00 0.00 C ATOM 113 C PRO A 11 8.775 0.934 -3.468 1.00 0.00 C ATOM 114 O PRO A 11 7.860 1.486 -4.080 1.00 0.00 O ATOM 115 CB PRO A 11 8.655 1.137 -0.969 1.00 0.00 C ATOM 116 CG PRO A 11 7.651 2.209 -0.719 1.00 0.00 C ATOM 117 CD PRO A 11 8.285 3.488 -1.191 1.00 0.00 C ATOM 0 HA PRO A 11 10.443 1.290 -2.256 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.174 0.169 -1.111 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.340 1.032 -0.127 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.725 2.010 -1.259 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.397 2.267 0.339 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.544 4.179 -1.594 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.796 4.006 -0.380 1.00 0.00 H new ATOM 125 N THR A 12 9.280 -0.241 -3.829 1.00 0.00 N ATOM 126 CA THR A 12 8.778 -0.964 -4.991 1.00 0.00 C ATOM 127 C THR A 12 7.645 -1.907 -4.604 1.00 0.00 C ATOM 128 O THR A 12 7.883 -3.014 -4.123 1.00 0.00 O ATOM 129 CB THR A 12 9.896 -1.776 -5.673 1.00 0.00 C ATOM 130 OG1 THR A 12 11.020 -0.931 -5.943 1.00 0.00 O ATOM 131 CG2 THR A 12 9.398 -2.397 -6.970 1.00 0.00 C ATOM 0 H THR A 12 10.037 -0.713 -3.333 1.00 0.00 H new ATOM 0 HA THR A 12 8.403 -0.217 -5.690 1.00 0.00 H new ATOM 0 HB THR A 12 10.198 -2.576 -4.998 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.727 -1.455 -6.375 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.204 -2.965 -7.434 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.561 -3.062 -6.757 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.072 -1.609 -7.649 1.00 0.00 H new ATOM 139 N MET A 13 6.411 -1.461 -4.818 1.00 0.00 N ATOM 140 CA MET A 13 5.240 -2.267 -4.493 1.00 0.00 C ATOM 141 C MET A 13 4.754 -3.038 -5.716 1.00 0.00 C ATOM 142 O MET A 13 4.783 -2.526 -6.835 1.00 0.00 O ATOM 143 CB MET A 13 4.117 -1.379 -3.955 1.00 0.00 C ATOM 144 CG MET A 13 2.961 -2.161 -3.351 1.00 0.00 C ATOM 145 SD MET A 13 1.920 -1.147 -2.284 1.00 0.00 S ATOM 146 CE MET A 13 1.453 0.163 -3.413 1.00 0.00 C ATOM 0 H MET A 13 6.196 -0.546 -5.215 1.00 0.00 H new ATOM 0 HA MET A 13 5.526 -2.985 -3.724 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.526 -0.708 -3.199 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.739 -0.755 -4.765 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.353 -2.581 -4.153 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.355 -3.000 -2.777 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.895 0.927 -2.872 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.349 0.607 -3.846 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.830 -0.247 -4.208 1.00 0.00 H new ATOM 156 N MET A 14 4.310 -4.271 -5.495 1.00 0.00 N ATOM 157 CA MET A 14 3.817 -5.111 -6.580 1.00 0.00 C ATOM 158 C MET A 14 2.518 -5.806 -6.182 1.00 0.00 C ATOM 159 O MET A 14 2.524 -6.739 -5.378 1.00 0.00 O ATOM 160 CB MET A 14 4.869 -6.152 -6.966 1.00 0.00 C ATOM 161 CG MET A 14 6.216 -5.549 -7.329 1.00 0.00 C ATOM 162 SD MET A 14 7.351 -6.759 -8.036 1.00 0.00 S ATOM 163 CE MET A 14 8.671 -6.732 -6.826 1.00 0.00 C ATOM 0 H MET A 14 4.282 -4.710 -4.575 1.00 0.00 H new ATOM 0 HA MET A 14 3.617 -4.471 -7.440 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.003 -6.846 -6.136 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.500 -6.733 -7.812 1.00 0.00 H new ATOM 0 HG2 MET A 14 6.066 -4.738 -8.041 1.00 0.00 H new ATOM 0 HG3 MET A 14 6.666 -5.112 -6.438 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.452 -7.432 -7.124 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.088 -5.727 -6.765 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.277 -7.021 -5.852 1.00 0.00 H new ATOM 173 N ILE A 15 1.409 -5.346 -6.750 1.00 0.00 N ATOM 174 CA ILE A 15 0.104 -5.925 -6.455 1.00 0.00 C ATOM 175 C ILE A 15 -0.271 -6.988 -7.482 1.00 0.00 C ATOM 176 O ILE A 15 -0.175 -6.761 -8.688 1.00 0.00 O ATOM 177 CB ILE A 15 -0.996 -4.848 -6.422 1.00 0.00 C ATOM 178 CG1 ILE A 15 -0.640 -3.755 -5.412 1.00 0.00 C ATOM 179 CG2 ILE A 15 -2.341 -5.473 -6.082 1.00 0.00 C ATOM 180 CD1 ILE A 15 -1.185 -2.392 -5.779 1.00 0.00 C ATOM 0 H ILE A 15 1.388 -4.574 -7.417 1.00 0.00 H new ATOM 0 HA ILE A 15 0.179 -6.386 -5.470 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.068 -4.394 -7.410 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.023 -4.039 -4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.445 -3.692 -5.324 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.108 -4.698 -6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.597 -6.218 -6.835 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.283 -5.951 -5.104 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.894 -1.667 -5.019 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.782 -2.087 -6.745 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.272 -2.439 -5.838 1.00 0.00 H new ATOM 192 N SER A 16 -0.701 -8.148 -6.995 1.00 0.00 N ATOM 193 CA SER A 16 -1.089 -9.247 -7.871 1.00 0.00 C ATOM 194 C SER A 16 -2.336 -9.949 -7.342 1.00 0.00 C ATOM 195 O SER A 16 -2.500 -10.123 -6.134 1.00 0.00 O ATOM 196 CB SER A 16 0.057 -10.251 -8.004 1.00 0.00 C ATOM 197 OG SER A 16 1.125 -9.709 -8.761 1.00 0.00 O ATOM 0 H SER A 16 -0.789 -8.351 -5.999 1.00 0.00 H new ATOM 0 HA SER A 16 -1.315 -8.833 -8.854 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.415 -10.532 -7.014 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.306 -11.161 -8.482 1.00 0.00 H new ATOM 0 HG SER A 16 1.845 -10.370 -8.830 1.00 0.00 H new ATOM 203 N THR A 17 -3.215 -10.351 -8.256 1.00 0.00 N ATOM 204 CA THR A 17 -4.448 -11.032 -7.883 1.00 0.00 C ATOM 205 C THR A 17 -4.389 -12.512 -8.245 1.00 0.00 C ATOM 206 O THR A 17 -4.194 -12.871 -9.407 1.00 0.00 O ATOM 207 CB THR A 17 -5.671 -10.395 -8.569 1.00 0.00 C ATOM 208 OG1 THR A 17 -5.588 -10.579 -9.987 1.00 0.00 O ATOM 209 CG2 THR A 17 -5.759 -8.911 -8.250 1.00 0.00 C ATOM 0 H THR A 17 -3.095 -10.216 -9.260 1.00 0.00 H new ATOM 0 HA THR A 17 -4.552 -10.929 -6.803 1.00 0.00 H new ATOM 0 HB THR A 17 -6.568 -10.885 -8.191 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.053 -11.376 -10.183 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.631 -8.483 -8.746 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.851 -8.775 -7.172 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.858 -8.409 -8.603 1.00 0.00 H new ATOM 217 N THR A 18 -4.560 -13.369 -7.243 1.00 0.00 N ATOM 218 CA THR A 18 -4.527 -14.810 -7.456 1.00 0.00 C ATOM 219 C THR A 18 -5.855 -15.454 -7.074 1.00 0.00 C ATOM 220 O THR A 18 -6.395 -16.272 -7.817 1.00 0.00 O ATOM 221 CB THR A 18 -3.396 -15.472 -6.645 1.00 0.00 C ATOM 222 OG1 THR A 18 -3.764 -16.810 -6.293 1.00 0.00 O ATOM 223 CG2 THR A 18 -3.097 -14.674 -5.385 1.00 0.00 C ATOM 0 H THR A 18 -4.723 -13.089 -6.276 1.00 0.00 H new ATOM 0 HA THR A 18 -4.343 -14.968 -8.519 1.00 0.00 H new ATOM 0 HB THR A 18 -2.499 -15.494 -7.264 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.039 -17.224 -5.779 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.296 -15.160 -4.828 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.789 -13.665 -5.658 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.992 -14.625 -4.764 1.00 0.00 H new ATOM 231 N ALA A 19 -6.376 -15.078 -5.910 1.00 0.00 N ATOM 232 CA ALA A 19 -7.642 -15.617 -5.431 1.00 0.00 C ATOM 233 C ALA A 19 -8.800 -14.686 -5.774 1.00 0.00 C ATOM 234 O ALA A 19 -8.598 -13.612 -6.341 1.00 0.00 O ATOM 235 CB ALA A 19 -7.580 -15.854 -3.929 1.00 0.00 C ATOM 0 H ALA A 19 -5.940 -14.402 -5.282 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.816 -16.570 -5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.533 -16.257 -3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.784 -16.564 -3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.379 -14.911 -3.420 1.00 0.00 H new ATOM 241 N MET A 20 -10.013 -15.105 -5.429 1.00 0.00 N ATOM 242 CA MET A 20 -11.203 -14.308 -5.700 1.00 0.00 C ATOM 243 C MET A 20 -11.396 -13.237 -4.631 1.00 0.00 C ATOM 244 O MET A 20 -11.456 -13.540 -3.440 1.00 0.00 O ATOM 245 CB MET A 20 -12.440 -15.205 -5.769 1.00 0.00 C ATOM 246 CG MET A 20 -12.325 -16.322 -6.794 1.00 0.00 C ATOM 247 SD MET A 20 -11.408 -17.744 -6.171 1.00 0.00 S ATOM 248 CE MET A 20 -12.564 -18.392 -4.967 1.00 0.00 C ATOM 0 H MET A 20 -10.197 -15.992 -4.961 1.00 0.00 H new ATOM 0 HA MET A 20 -11.067 -13.815 -6.663 1.00 0.00 H new ATOM 0 HB2 MET A 20 -12.617 -15.642 -4.786 1.00 0.00 H new ATOM 0 HB3 MET A 20 -13.310 -14.593 -6.007 1.00 0.00 H new ATOM 0 HG2 MET A 20 -13.324 -16.641 -7.092 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.832 -15.940 -7.688 1.00 0.00 H new ATOM 0 HE1 MET A 20 -12.346 -19.444 -4.782 1.00 0.00 H new ATOM 0 HE2 MET A 20 -12.471 -17.833 -4.036 1.00 0.00 H new ATOM 0 HE3 MET A 20 -13.580 -18.294 -5.349 1.00 0.00 H new ATOM 258 N ASN A 21 -11.491 -11.984 -5.065 1.00 0.00 N ATOM 259 CA ASN A 21 -11.676 -10.869 -4.144 1.00 0.00 C ATOM 260 C ASN A 21 -10.507 -10.768 -3.169 1.00 0.00 C ATOM 261 O ASN A 21 -10.695 -10.510 -1.979 1.00 0.00 O ATOM 262 CB ASN A 21 -12.987 -11.030 -3.370 1.00 0.00 C ATOM 263 CG ASN A 21 -14.067 -11.701 -4.197 1.00 0.00 C ATOM 264 OD1 ASN A 21 -13.986 -12.892 -4.496 1.00 0.00 O ATOM 265 ND2 ASN A 21 -15.085 -10.935 -4.572 1.00 0.00 N ATOM 0 H ASN A 21 -11.443 -11.716 -6.048 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.718 -9.951 -4.730 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.805 -11.617 -2.470 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.337 -10.050 -3.046 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.841 -11.330 -5.131 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -15.111 -9.952 -4.301 1.00 0.00 H new ATOM 272 N THR A 22 -9.297 -10.974 -3.681 1.00 0.00 N ATOM 273 CA THR A 22 -8.097 -10.907 -2.857 1.00 0.00 C ATOM 274 C THR A 22 -6.927 -10.318 -3.636 1.00 0.00 C ATOM 275 O THR A 22 -6.621 -10.760 -4.743 1.00 0.00 O ATOM 276 CB THR A 22 -7.699 -12.299 -2.330 1.00 0.00 C ATOM 277 OG1 THR A 22 -7.181 -13.098 -3.399 1.00 0.00 O ATOM 278 CG2 THR A 22 -8.893 -13.001 -1.700 1.00 0.00 C ATOM 0 H THR A 22 -9.123 -11.189 -4.663 1.00 0.00 H new ATOM 0 HA THR A 22 -8.330 -10.259 -2.012 1.00 0.00 H new ATOM 0 HB THR A 22 -6.930 -12.168 -1.568 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.953 -12.521 -4.158 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.588 -13.982 -1.335 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.268 -12.405 -0.868 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.680 -13.120 -2.445 1.00 0.00 H new ATOM 286 N ALA A 23 -6.276 -9.318 -3.050 1.00 0.00 N ATOM 287 CA ALA A 23 -5.137 -8.670 -3.689 1.00 0.00 C ATOM 288 C ALA A 23 -3.852 -8.926 -2.909 1.00 0.00 C ATOM 289 O ALA A 23 -3.694 -8.458 -1.781 1.00 0.00 O ATOM 290 CB ALA A 23 -5.387 -7.176 -3.823 1.00 0.00 C ATOM 0 H ALA A 23 -6.518 -8.939 -2.134 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.018 -9.098 -4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.528 -6.705 -4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.277 -7.009 -4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.535 -6.742 -2.834 1.00 0.00 H new ATOM 296 N LEU A 24 -2.935 -9.671 -3.517 1.00 0.00 N ATOM 297 CA LEU A 24 -1.662 -9.990 -2.879 1.00 0.00 C ATOM 298 C LEU A 24 -0.705 -8.805 -2.953 1.00 0.00 C ATOM 299 O LEU A 24 -0.325 -8.366 -4.039 1.00 0.00 O ATOM 300 CB LEU A 24 -1.029 -11.214 -3.543 1.00 0.00 C ATOM 301 CG LEU A 24 0.370 -11.593 -3.056 1.00 0.00 C ATOM 302 CD1 LEU A 24 0.397 -11.696 -1.539 1.00 0.00 C ATOM 303 CD2 LEU A 24 0.819 -12.902 -3.689 1.00 0.00 C ATOM 0 H LEU A 24 -3.049 -10.065 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.855 -10.213 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.689 -12.068 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.982 -11.036 -4.617 1.00 0.00 H new ATOM 0 HG LEU A 24 1.064 -10.809 -3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.400 -11.967 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.119 -10.736 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.309 -12.460 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.817 -13.156 -3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.123 -13.695 -3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.839 -12.794 -4.773 1.00 0.00 H new ATOM 315 N LEU A 25 -0.316 -8.292 -1.791 1.00 0.00 N ATOM 316 CA LEU A 25 0.600 -7.159 -1.723 1.00 0.00 C ATOM 317 C LEU A 25 2.030 -7.629 -1.476 1.00 0.00 C ATOM 318 O LEU A 25 2.296 -8.367 -0.528 1.00 0.00 O ATOM 319 CB LEU A 25 0.170 -6.196 -0.615 1.00 0.00 C ATOM 320 CG LEU A 25 -1.291 -5.747 -0.646 1.00 0.00 C ATOM 321 CD1 LEU A 25 -1.688 -5.128 0.685 1.00 0.00 C ATOM 322 CD2 LEU A 25 -1.524 -4.764 -1.784 1.00 0.00 C ATOM 0 H LEU A 25 -0.621 -8.643 -0.883 1.00 0.00 H new ATOM 0 HA LEU A 25 0.568 -6.640 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.363 -6.671 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.803 -5.310 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.916 -6.624 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.731 -4.814 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.561 -5.863 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.057 -4.263 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.569 -4.456 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.889 -3.889 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.281 -5.242 -2.733 1.00 0.00 H new ATOM 334 N GLN A 26 2.947 -7.194 -2.335 1.00 0.00 N ATOM 335 CA GLN A 26 4.350 -7.569 -2.209 1.00 0.00 C ATOM 336 C GLN A 26 5.261 -6.414 -2.611 1.00 0.00 C ATOM 337 O GLN A 26 5.264 -5.986 -3.765 1.00 0.00 O ATOM 338 CB GLN A 26 4.651 -8.796 -3.072 1.00 0.00 C ATOM 339 CG GLN A 26 3.794 -10.004 -2.732 1.00 0.00 C ATOM 340 CD GLN A 26 4.431 -11.311 -3.162 1.00 0.00 C ATOM 341 OE1 GLN A 26 5.377 -11.324 -3.951 1.00 0.00 O ATOM 342 NE2 GLN A 26 3.916 -12.420 -2.644 1.00 0.00 N ATOM 0 H GLN A 26 2.743 -6.582 -3.125 1.00 0.00 H new ATOM 0 HA GLN A 26 4.542 -7.812 -1.164 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.501 -8.538 -4.120 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.702 -9.062 -2.956 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.616 -10.027 -1.657 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.822 -9.902 -3.214 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.132 -12.363 -1.994 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.304 -13.329 -2.896 1.00 0.00 H new ATOM 351 N TRP A 27 6.032 -5.914 -1.652 1.00 0.00 N ATOM 352 CA TRP A 27 6.947 -4.807 -1.907 1.00 0.00 C ATOM 353 C TRP A 27 8.336 -5.112 -1.357 1.00 0.00 C ATOM 354 O TRP A 27 8.520 -6.069 -0.604 1.00 0.00 O ATOM 355 CB TRP A 27 6.408 -3.519 -1.282 1.00 0.00 C ATOM 356 CG TRP A 27 6.219 -3.613 0.202 1.00 0.00 C ATOM 357 CD1 TRP A 27 7.165 -3.401 1.164 1.00 0.00 C ATOM 358 CD2 TRP A 27 5.009 -3.945 0.892 1.00 0.00 C ATOM 359 NE1 TRP A 27 6.617 -3.581 2.411 1.00 0.00 N ATOM 360 CE2 TRP A 27 5.295 -3.914 2.271 1.00 0.00 C ATOM 361 CE3 TRP A 27 3.713 -4.262 0.480 1.00 0.00 C ATOM 362 CZ2 TRP A 27 4.331 -4.191 3.237 1.00 0.00 C ATOM 363 CZ3 TRP A 27 2.757 -4.536 1.440 1.00 0.00 C ATOM 364 CH2 TRP A 27 3.070 -4.499 2.805 1.00 0.00 C ATOM 0 H TRP A 27 6.042 -6.257 -0.691 1.00 0.00 H new ATOM 0 HA TRP A 27 7.025 -4.673 -2.986 1.00 0.00 H new ATOM 0 HB2 TRP A 27 7.094 -2.702 -1.503 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.455 -3.269 -1.747 1.00 0.00 H new ATOM 0 HD1 TRP A 27 8.193 -3.131 0.973 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.113 -3.483 3.297 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.462 -4.293 -0.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.570 -4.164 4.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.752 -4.783 1.133 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.301 -4.718 3.531 1.00 0.00 H new ATOM 375 N HIS A 28 9.311 -4.292 -1.736 1.00 0.00 N ATOM 376 CA HIS A 28 10.684 -4.474 -1.280 1.00 0.00 C ATOM 377 C HIS A 28 11.289 -3.146 -0.835 1.00 0.00 C ATOM 378 O HIS A 28 10.839 -2.069 -1.225 1.00 0.00 O ATOM 379 CB HIS A 28 11.536 -5.090 -2.390 1.00 0.00 C ATOM 380 CG HIS A 28 11.410 -6.579 -2.486 1.00 0.00 C ATOM 381 ND1 HIS A 28 11.933 -7.441 -1.546 1.00 0.00 N ATOM 382 CD2 HIS A 28 10.813 -7.358 -3.418 1.00 0.00 C ATOM 383 CE1 HIS A 28 11.666 -8.686 -1.896 1.00 0.00 C ATOM 384 NE2 HIS A 28 10.986 -8.664 -3.029 1.00 0.00 N ATOM 0 H HIS A 28 9.175 -3.495 -2.358 1.00 0.00 H new ATOM 0 HA HIS A 28 10.670 -5.151 -0.426 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.250 -4.647 -3.344 1.00 0.00 H new ATOM 0 HB3 HIS A 28 12.581 -4.832 -2.220 1.00 0.00 H new ATOM 0 HD2 HIS A 28 10.297 -7.016 -4.303 1.00 0.00 H new ATOM 0 HE1 HIS A 28 11.954 -9.572 -1.349 1.00 0.00 H new ATOM 0 HE2 HIS A 28 10.645 -9.483 -3.532 1.00 0.00 H new ATOM 393 N PRO A 29 12.335 -3.223 0.002 1.00 0.00 N ATOM 394 CA PRO A 29 13.024 -2.036 0.519 1.00 0.00 C ATOM 395 C PRO A 29 13.817 -1.310 -0.563 1.00 0.00 C ATOM 396 O PRO A 29 14.487 -1.925 -1.393 1.00 0.00 O ATOM 397 CB PRO A 29 13.966 -2.607 1.581 1.00 0.00 C ATOM 398 CG PRO A 29 14.201 -4.017 1.160 1.00 0.00 C ATOM 399 CD PRO A 29 12.925 -4.473 0.509 1.00 0.00 C ATOM 0 HA PRO A 29 12.325 -1.294 0.905 1.00 0.00 H new ATOM 0 HB2 PRO A 29 14.900 -2.046 1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.519 -2.560 2.574 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.038 -4.082 0.465 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.448 -4.644 2.017 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.116 -5.183 -0.296 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.265 -4.969 1.221 1.00 0.00 H new ATOM 407 N PRO A 30 13.742 0.029 -0.554 1.00 0.00 N ATOM 408 CA PRO A 30 14.449 0.867 -1.527 1.00 0.00 C ATOM 409 C PRO A 30 15.959 0.853 -1.317 1.00 0.00 C ATOM 410 O PRO A 30 16.451 0.350 -0.307 1.00 0.00 O ATOM 411 CB PRO A 30 13.886 2.266 -1.265 1.00 0.00 C ATOM 412 CG PRO A 30 13.435 2.233 0.155 1.00 0.00 C ATOM 413 CD PRO A 30 12.963 0.828 0.407 1.00 0.00 C ATOM 0 HA PRO A 30 14.302 0.517 -2.549 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.644 3.034 -1.422 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.059 2.492 -1.938 1.00 0.00 H new ATOM 0 HG2 PRO A 30 14.249 2.498 0.829 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.633 2.951 0.326 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.153 0.518 1.435 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.891 0.728 0.237 1.00 0.00 H new ATOM 421 N LYS A 31 16.691 1.407 -2.278 1.00 0.00 N ATOM 422 CA LYS A 31 18.145 1.459 -2.199 1.00 0.00 C ATOM 423 C LYS A 31 18.622 2.870 -1.866 1.00 0.00 C ATOM 424 O LYS A 31 19.690 3.052 -1.283 1.00 0.00 O ATOM 425 CB LYS A 31 18.766 0.999 -3.519 1.00 0.00 C ATOM 426 CG LYS A 31 20.282 1.089 -3.544 1.00 0.00 C ATOM 427 CD LYS A 31 20.925 -0.178 -3.006 1.00 0.00 C ATOM 428 CE LYS A 31 21.167 -0.088 -1.507 1.00 0.00 C ATOM 429 NZ LYS A 31 22.510 0.477 -1.195 1.00 0.00 N ATOM 0 H LYS A 31 16.300 1.827 -3.121 1.00 0.00 H new ATOM 0 HA LYS A 31 18.464 0.788 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 31 18.469 -0.032 -3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 31 18.361 1.603 -4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 31 20.620 1.264 -4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 31 20.606 1.943 -2.950 1.00 0.00 H new ATOM 0 HD2 LYS A 31 20.283 -1.032 -3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 31 21.871 -0.353 -3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 31 20.396 0.534 -1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 31 21.079 -1.080 -1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 22.637 0.522 -0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 23.247 -0.130 -1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 22.586 1.434 -1.595 1.00 0.00 H new ATOM 443 N GLU A 32 17.821 3.863 -2.239 1.00 0.00 N ATOM 444 CA GLU A 32 18.162 5.257 -1.979 1.00 0.00 C ATOM 445 C GLU A 32 17.697 5.680 -0.588 1.00 0.00 C ATOM 446 O GLU A 32 17.322 6.833 -0.371 1.00 0.00 O ATOM 447 CB GLU A 32 17.533 6.165 -3.037 1.00 0.00 C ATOM 448 CG GLU A 32 17.956 5.830 -4.457 1.00 0.00 C ATOM 449 CD GLU A 32 17.841 7.015 -5.396 1.00 0.00 C ATOM 450 OE1 GLU A 32 16.701 7.384 -5.748 1.00 0.00 O ATOM 451 OE2 GLU A 32 18.890 7.573 -5.779 1.00 0.00 O ATOM 0 H GLU A 32 16.933 3.729 -2.722 1.00 0.00 H new ATOM 0 HA GLU A 32 19.247 5.354 -2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 32 16.448 6.095 -2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.801 7.199 -2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 32 18.987 5.475 -4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.340 5.013 -4.832 1.00 0.00 H new ATOM 458 N LEU A 33 17.724 4.740 0.349 1.00 0.00 N ATOM 459 CA LEU A 33 17.306 5.013 1.720 1.00 0.00 C ATOM 460 C LEU A 33 18.508 5.328 2.604 1.00 0.00 C ATOM 461 O LEU A 33 19.325 4.460 2.915 1.00 0.00 O ATOM 462 CB LEU A 33 16.539 3.818 2.288 1.00 0.00 C ATOM 463 CG LEU A 33 16.167 3.902 3.769 1.00 0.00 C ATOM 464 CD1 LEU A 33 14.883 3.133 4.041 1.00 0.00 C ATOM 465 CD2 LEU A 33 17.301 3.373 4.635 1.00 0.00 C ATOM 0 H LEU A 33 18.031 3.781 0.185 1.00 0.00 H new ATOM 0 HA LEU A 33 16.651 5.884 1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.623 3.692 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.139 2.921 2.135 1.00 0.00 H new ATOM 0 HG LEU A 33 16.001 4.949 4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.634 3.204 5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.072 3.557 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 33 15.021 2.086 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.018 3.441 5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.499 2.332 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.199 3.967 4.462 1.00 0.00 H new ATOM 477 N PRO A 34 18.620 6.597 3.022 1.00 0.00 N ATOM 478 CA PRO A 34 19.718 7.055 3.879 1.00 0.00 C ATOM 479 C PRO A 34 19.621 6.495 5.294 1.00 0.00 C ATOM 480 O PRO A 34 18.915 7.040 6.141 1.00 0.00 O ATOM 481 CB PRO A 34 19.547 8.576 3.893 1.00 0.00 C ATOM 482 CG PRO A 34 18.100 8.797 3.612 1.00 0.00 C ATOM 483 CD PRO A 34 17.683 7.684 2.691 1.00 0.00 C ATOM 0 HA PRO A 34 20.689 6.725 3.509 1.00 0.00 H new ATOM 0 HB2 PRO A 34 19.832 8.998 4.857 1.00 0.00 H new ATOM 0 HB3 PRO A 34 20.174 9.052 3.139 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.517 8.781 4.533 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.937 9.770 3.148 1.00 0.00 H new ATOM 0 HD2 PRO A 34 16.648 7.388 2.862 1.00 0.00 H new ATOM 0 HD3 PRO A 34 17.762 7.978 1.644 1.00 0.00 H new ATOM 491 N GLY A 35 20.336 5.401 5.543 1.00 0.00 N ATOM 492 CA GLY A 35 20.317 4.786 6.857 1.00 0.00 C ATOM 493 C GLY A 35 19.966 3.312 6.802 1.00 0.00 C ATOM 494 O GLY A 35 20.594 2.546 6.071 1.00 0.00 O ATOM 0 H GLY A 35 20.927 4.930 4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.294 4.907 7.325 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.595 5.305 7.487 1.00 0.00 H new ATOM 498 N GLU A 36 18.962 2.915 7.577 1.00 0.00 N ATOM 499 CA GLU A 36 18.532 1.522 7.615 1.00 0.00 C ATOM 500 C GLU A 36 17.011 1.424 7.689 1.00 0.00 C ATOM 501 O GLU A 36 16.349 2.291 8.261 1.00 0.00 O ATOM 502 CB GLU A 36 19.159 0.803 8.811 1.00 0.00 C ATOM 503 CG GLU A 36 18.292 -0.310 9.376 1.00 0.00 C ATOM 504 CD GLU A 36 19.074 -1.272 10.248 1.00 0.00 C ATOM 505 OE1 GLU A 36 19.266 -0.966 11.444 1.00 0.00 O ATOM 506 OE2 GLU A 36 19.493 -2.331 9.737 1.00 0.00 O ATOM 0 H GLU A 36 18.431 3.537 8.187 1.00 0.00 H new ATOM 0 HA GLU A 36 18.866 1.041 6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 36 20.120 0.386 8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 36 19.359 1.531 9.597 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.481 0.127 9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.833 -0.861 8.555 1.00 0.00 H new ATOM 513 N LEU A 37 16.464 0.363 7.106 1.00 0.00 N ATOM 514 CA LEU A 37 15.020 0.151 7.104 1.00 0.00 C ATOM 515 C LEU A 37 14.521 -0.205 8.501 1.00 0.00 C ATOM 516 O LEU A 37 15.057 -1.101 9.154 1.00 0.00 O ATOM 517 CB LEU A 37 14.649 -0.959 6.120 1.00 0.00 C ATOM 518 CG LEU A 37 13.155 -1.153 5.859 1.00 0.00 C ATOM 519 CD1 LEU A 37 12.678 -0.213 4.764 1.00 0.00 C ATOM 520 CD2 LEU A 37 12.862 -2.600 5.487 1.00 0.00 C ATOM 0 H LEU A 37 16.998 -0.364 6.629 1.00 0.00 H new ATOM 0 HA LEU A 37 14.541 1.079 6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.140 -0.753 5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.057 -1.899 6.492 1.00 0.00 H new ATOM 0 HG LEU A 37 12.612 -0.917 6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.612 -0.366 4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.852 0.819 5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.227 -0.417 3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.794 -2.720 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.416 -2.863 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.166 -3.254 6.304 1.00 0.00 H new ATOM 532 N LEU A 38 13.491 0.502 8.953 1.00 0.00 N ATOM 533 CA LEU A 38 12.916 0.259 10.272 1.00 0.00 C ATOM 534 C LEU A 38 11.436 -0.092 10.165 1.00 0.00 C ATOM 535 O LEU A 38 10.891 -0.793 11.016 1.00 0.00 O ATOM 536 CB LEU A 38 13.097 1.490 11.162 1.00 0.00 C ATOM 537 CG LEU A 38 14.527 2.013 11.303 1.00 0.00 C ATOM 538 CD1 LEU A 38 14.532 3.384 11.960 1.00 0.00 C ATOM 539 CD2 LEU A 38 15.377 1.034 12.100 1.00 0.00 C ATOM 0 H LEU A 38 13.037 1.248 8.426 1.00 0.00 H new ATOM 0 HA LEU A 38 13.439 -0.586 10.719 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.475 2.293 10.767 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.719 1.253 12.156 1.00 0.00 H new ATOM 0 HG LEU A 38 14.958 2.109 10.306 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.558 3.740 12.052 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.959 4.082 11.350 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.082 3.314 12.950 1.00 0.00 H new ATOM 0 HD21 LEU A 38 16.391 1.423 12.190 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.948 0.905 13.094 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.401 0.072 11.588 1.00 0.00 H new ATOM 551 N GLY A 39 10.791 0.398 9.111 1.00 0.00 N ATOM 552 CA GLY A 39 9.380 0.123 8.911 1.00 0.00 C ATOM 553 C GLY A 39 8.781 0.953 7.793 1.00 0.00 C ATOM 554 O GLY A 39 9.467 1.772 7.181 1.00 0.00 O ATOM 0 H GLY A 39 11.220 0.980 8.392 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.248 -0.935 8.685 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.839 0.321 9.837 1.00 0.00 H new ATOM 558 N TYR A 40 7.497 0.742 7.524 1.00 0.00 N ATOM 559 CA TYR A 40 6.806 1.474 6.469 1.00 0.00 C ATOM 560 C TYR A 40 5.295 1.424 6.671 1.00 0.00 C ATOM 561 O TYR A 40 4.770 0.499 7.292 1.00 0.00 O ATOM 562 CB TYR A 40 7.168 0.897 5.099 1.00 0.00 C ATOM 563 CG TYR A 40 7.560 -0.562 5.140 1.00 0.00 C ATOM 564 CD1 TYR A 40 6.848 -1.471 5.914 1.00 0.00 C ATOM 565 CD2 TYR A 40 8.642 -1.032 4.406 1.00 0.00 C ATOM 566 CE1 TYR A 40 7.203 -2.806 5.955 1.00 0.00 C ATOM 567 CE2 TYR A 40 9.003 -2.365 4.441 1.00 0.00 C ATOM 568 CZ TYR A 40 8.281 -3.248 5.216 1.00 0.00 C ATOM 569 OH TYR A 40 8.638 -4.576 5.254 1.00 0.00 O ATOM 0 H TYR A 40 6.914 0.070 8.022 1.00 0.00 H new ATOM 0 HA TYR A 40 7.126 2.515 6.514 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.318 1.017 4.428 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.991 1.474 4.677 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.003 -1.128 6.493 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.210 -0.344 3.798 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.640 -3.499 6.562 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.847 -2.714 3.864 1.00 0.00 H new ATOM 0 HH TYR A 40 9.591 -4.652 5.468 1.00 0.00 H new ATOM 579 N ARG A 41 4.600 2.426 6.142 1.00 0.00 N ATOM 580 CA ARG A 41 3.149 2.498 6.264 1.00 0.00 C ATOM 581 C ARG A 41 2.476 2.205 4.926 1.00 0.00 C ATOM 582 O ARG A 41 3.036 2.481 3.864 1.00 0.00 O ATOM 583 CB ARG A 41 2.727 3.879 6.768 1.00 0.00 C ATOM 584 CG ARG A 41 1.232 4.133 6.667 1.00 0.00 C ATOM 585 CD ARG A 41 0.914 5.619 6.732 1.00 0.00 C ATOM 586 NE ARG A 41 0.816 6.098 8.108 1.00 0.00 N ATOM 587 CZ ARG A 41 0.932 7.376 8.451 1.00 0.00 C ATOM 588 NH1 ARG A 41 1.149 8.298 7.523 1.00 0.00 N ATOM 589 NH2 ARG A 41 0.831 7.734 9.725 1.00 0.00 N ATOM 0 H ARG A 41 5.019 3.199 5.625 1.00 0.00 H new ATOM 0 HA ARG A 41 2.831 1.743 6.984 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.036 3.987 7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.256 4.642 6.197 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.854 3.719 5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.718 3.614 7.476 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.689 6.179 6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.025 5.812 6.213 1.00 0.00 H new ATOM 0 HE ARG A 41 0.649 5.414 8.846 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.227 8.027 6.543 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.238 9.279 7.789 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.664 7.028 10.442 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.920 8.716 9.988 1.00 0.00 H new ATOM 603 N LEU A 42 1.273 1.646 4.985 1.00 0.00 N ATOM 604 CA LEU A 42 0.523 1.315 3.779 1.00 0.00 C ATOM 605 C LEU A 42 -0.824 2.031 3.761 1.00 0.00 C ATOM 606 O LEU A 42 -1.554 2.023 4.752 1.00 0.00 O ATOM 607 CB LEU A 42 0.310 -0.197 3.685 1.00 0.00 C ATOM 608 CG LEU A 42 0.110 -0.760 2.277 1.00 0.00 C ATOM 609 CD1 LEU A 42 -0.293 -2.225 2.341 1.00 0.00 C ATOM 610 CD2 LEU A 42 -0.934 0.050 1.522 1.00 0.00 C ATOM 0 H LEU A 42 0.796 1.412 5.856 1.00 0.00 H new ATOM 0 HA LEU A 42 1.103 1.648 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.170 -0.694 4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.560 -0.459 4.287 1.00 0.00 H new ATOM 0 HG LEU A 42 1.055 -0.687 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.431 -2.609 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.489 -2.796 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.226 -2.322 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.063 -0.365 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.883 0.010 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.605 1.086 1.445 1.00 0.00 H new ATOM 622 N GLN A 43 -1.146 2.647 2.629 1.00 0.00 N ATOM 623 CA GLN A 43 -2.406 3.367 2.483 1.00 0.00 C ATOM 624 C GLN A 43 -3.070 3.037 1.150 1.00 0.00 C ATOM 625 O GLN A 43 -2.526 3.331 0.085 1.00 0.00 O ATOM 626 CB GLN A 43 -2.172 4.874 2.591 1.00 0.00 C ATOM 627 CG GLN A 43 -1.976 5.359 4.018 1.00 0.00 C ATOM 628 CD GLN A 43 -1.408 6.763 4.085 1.00 0.00 C ATOM 629 OE1 GLN A 43 -0.326 7.033 3.563 1.00 0.00 O ATOM 630 NE2 GLN A 43 -2.138 7.667 4.729 1.00 0.00 N ATOM 0 H GLN A 43 -0.553 2.662 1.800 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.071 3.052 3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.294 5.140 2.002 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -3.021 5.397 2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.932 5.333 4.541 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.307 4.675 4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.029 7.399 5.147 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.807 8.629 4.806 1.00 0.00 H new ATOM 639 N TYR A 44 -4.247 2.425 1.216 1.00 0.00 N ATOM 640 CA TYR A 44 -4.983 2.053 0.014 1.00 0.00 C ATOM 641 C TYR A 44 -6.479 2.292 0.195 1.00 0.00 C ATOM 642 O TYR A 44 -7.055 1.942 1.226 1.00 0.00 O ATOM 643 CB TYR A 44 -4.729 0.584 -0.331 1.00 0.00 C ATOM 644 CG TYR A 44 -5.274 -0.382 0.696 1.00 0.00 C ATOM 645 CD1 TYR A 44 -6.636 -0.646 0.777 1.00 0.00 C ATOM 646 CD2 TYR A 44 -4.427 -1.031 1.586 1.00 0.00 C ATOM 647 CE1 TYR A 44 -7.138 -1.528 1.714 1.00 0.00 C ATOM 648 CE2 TYR A 44 -4.921 -1.915 2.526 1.00 0.00 C ATOM 649 CZ TYR A 44 -6.277 -2.160 2.586 1.00 0.00 C ATOM 650 OH TYR A 44 -6.772 -3.040 3.521 1.00 0.00 O ATOM 0 H TYR A 44 -4.712 2.176 2.089 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.630 2.679 -0.805 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.179 0.364 -1.299 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -3.656 0.424 -0.434 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.314 -0.153 0.096 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.365 -0.841 1.542 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.199 -1.722 1.763 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.249 -2.412 3.210 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.033 -3.399 4.056 1.00 0.00 H new ATOM 660 N CYS A 45 -7.102 2.891 -0.813 1.00 0.00 N ATOM 661 CA CYS A 45 -8.531 3.179 -0.767 1.00 0.00 C ATOM 662 C CYS A 45 -9.129 3.191 -2.170 1.00 0.00 C ATOM 663 O CYS A 45 -8.405 3.159 -3.164 1.00 0.00 O ATOM 664 CB CYS A 45 -8.780 4.524 -0.082 1.00 0.00 C ATOM 665 SG CYS A 45 -7.694 5.854 -0.650 1.00 0.00 S ATOM 0 H CYS A 45 -6.640 3.187 -1.673 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.017 2.391 -0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -9.816 4.819 -0.250 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.654 4.401 0.994 1.00 0.00 H new ATOM 0 HG CYS A 45 -7.982 6.951 -0.015 1.00 0.00 H new ATOM 671 N ARG A 46 -10.456 3.235 -2.241 1.00 0.00 N ATOM 672 CA ARG A 46 -11.152 3.248 -3.522 1.00 0.00 C ATOM 673 C ARG A 46 -10.805 4.504 -4.317 1.00 0.00 C ATOM 674 O ARG A 46 -10.325 5.490 -3.759 1.00 0.00 O ATOM 675 CB ARG A 46 -12.664 3.170 -3.306 1.00 0.00 C ATOM 676 CG ARG A 46 -13.171 1.759 -3.054 1.00 0.00 C ATOM 677 CD ARG A 46 -14.610 1.593 -3.517 1.00 0.00 C ATOM 678 NE ARG A 46 -15.266 0.461 -2.869 1.00 0.00 N ATOM 679 CZ ARG A 46 -15.715 0.489 -1.619 1.00 0.00 C ATOM 680 NH1 ARG A 46 -15.580 1.586 -0.886 1.00 0.00 N ATOM 681 NH2 ARG A 46 -16.302 -0.582 -1.099 1.00 0.00 N ATOM 0 H ARG A 46 -11.070 3.262 -1.427 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.828 2.377 -4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.935 3.801 -2.459 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.169 3.578 -4.182 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.535 1.044 -3.576 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.101 1.531 -1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.167 2.505 -3.304 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.629 1.453 -4.598 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.386 -0.398 -3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.130 2.412 -1.282 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.926 1.604 0.073 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.409 -1.428 -1.659 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.646 -0.559 -0.139 1.00 0.00 H new ATOM 695 N ALA A 47 -11.052 4.459 -5.622 1.00 0.00 N ATOM 696 CA ALA A 47 -10.768 5.593 -6.492 1.00 0.00 C ATOM 697 C ALA A 47 -11.795 6.704 -6.300 1.00 0.00 C ATOM 698 O ALA A 47 -11.768 7.715 -7.001 1.00 0.00 O ATOM 699 CB ALA A 47 -10.736 5.147 -7.947 1.00 0.00 C ATOM 0 H ALA A 47 -11.448 3.649 -6.100 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.789 5.989 -6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.523 6.004 -8.586 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.959 4.394 -8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.703 4.723 -8.219 1.00 0.00 H new ATOM 705 N ASP A 48 -12.699 6.509 -5.347 1.00 0.00 N ATOM 706 CA ASP A 48 -13.735 7.495 -5.062 1.00 0.00 C ATOM 707 C ASP A 48 -13.674 7.941 -3.604 1.00 0.00 C ATOM 708 O ASP A 48 -14.394 8.851 -3.194 1.00 0.00 O ATOM 709 CB ASP A 48 -15.117 6.919 -5.375 1.00 0.00 C ATOM 710 CG ASP A 48 -16.138 7.997 -5.678 1.00 0.00 C ATOM 711 OD1 ASP A 48 -15.742 9.060 -6.200 1.00 0.00 O ATOM 712 OD2 ASP A 48 -17.334 7.778 -5.394 1.00 0.00 O ATOM 0 H ASP A 48 -12.736 5.677 -4.758 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.560 8.364 -5.697 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.042 6.244 -6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -15.460 6.325 -4.528 1.00 0.00 H new ATOM 717 N GLU A 49 -12.811 7.293 -2.828 1.00 0.00 N ATOM 718 CA GLU A 49 -12.659 7.623 -1.415 1.00 0.00 C ATOM 719 C GLU A 49 -11.710 8.803 -1.231 1.00 0.00 C ATOM 720 O GLU A 49 -10.890 9.096 -2.102 1.00 0.00 O ATOM 721 CB GLU A 49 -12.140 6.411 -0.639 1.00 0.00 C ATOM 722 CG GLU A 49 -13.242 5.506 -0.115 1.00 0.00 C ATOM 723 CD GLU A 49 -12.709 4.365 0.730 1.00 0.00 C ATOM 724 OE1 GLU A 49 -12.364 4.609 1.905 1.00 0.00 O ATOM 725 OE2 GLU A 49 -12.635 3.230 0.215 1.00 0.00 O ATOM 0 H GLU A 49 -12.207 6.538 -3.153 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.638 7.903 -1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.482 5.831 -1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.537 6.758 0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.940 6.097 0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.803 5.099 -0.956 1.00 0.00 H new ATOM 732 N ALA A 50 -11.827 9.478 -0.092 1.00 0.00 N ATOM 733 CA ALA A 50 -10.979 10.625 0.207 1.00 0.00 C ATOM 734 C ALA A 50 -10.082 10.345 1.408 1.00 0.00 C ATOM 735 O ALA A 50 -9.061 11.007 1.598 1.00 0.00 O ATOM 736 CB ALA A 50 -11.832 11.860 0.460 1.00 0.00 C ATOM 0 H ALA A 50 -12.501 9.250 0.639 1.00 0.00 H new ATOM 0 HA ALA A 50 -10.340 10.809 -0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.186 12.709 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.427 12.079 -0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.495 11.677 1.306 1.00 0.00 H new ATOM 742 N ARG A 51 -10.469 9.363 2.214 1.00 0.00 N ATOM 743 CA ARG A 51 -9.699 8.997 3.397 1.00 0.00 C ATOM 744 C ARG A 51 -9.083 7.610 3.238 1.00 0.00 C ATOM 745 O ARG A 51 -9.756 6.587 3.365 1.00 0.00 O ATOM 746 CB ARG A 51 -10.588 9.033 4.641 1.00 0.00 C ATOM 747 CG ARG A 51 -11.020 10.434 5.042 1.00 0.00 C ATOM 748 CD ARG A 51 -12.201 10.401 6.000 1.00 0.00 C ATOM 749 NE ARG A 51 -13.479 10.419 5.293 1.00 0.00 N ATOM 750 CZ ARG A 51 -14.657 10.337 5.903 1.00 0.00 C ATOM 751 NH1 ARG A 51 -14.718 10.231 7.223 1.00 0.00 N ATOM 752 NH2 ARG A 51 -15.776 10.361 5.191 1.00 0.00 N ATOM 0 H ARG A 51 -11.311 8.806 2.070 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.893 9.722 3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.475 8.426 4.460 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.053 8.575 5.473 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.184 10.953 5.511 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.289 11.002 4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.141 9.505 6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.146 11.257 6.673 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.467 10.499 4.276 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.859 10.212 7.773 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.624 10.168 7.688 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.732 10.442 4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.680 10.298 5.659 1.00 0.00 H new ATOM 766 N PRO A 52 -7.773 7.574 2.953 1.00 0.00 N ATOM 767 CA PRO A 52 -7.037 6.319 2.771 1.00 0.00 C ATOM 768 C PRO A 52 -6.875 5.547 4.076 1.00 0.00 C ATOM 769 O PRO A 52 -6.671 6.138 5.136 1.00 0.00 O ATOM 770 CB PRO A 52 -5.674 6.779 2.248 1.00 0.00 C ATOM 771 CG PRO A 52 -5.523 8.171 2.759 1.00 0.00 C ATOM 772 CD PRO A 52 -6.908 8.754 2.787 1.00 0.00 C ATOM 0 HA PRO A 52 -7.557 5.635 2.100 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.873 6.135 2.611 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.638 6.751 1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.078 8.175 3.754 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.867 8.755 2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.030 9.460 3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.136 9.293 1.867 1.00 0.00 H new ATOM 780 N ASN A 53 -6.965 4.224 3.991 1.00 0.00 N ATOM 781 CA ASN A 53 -6.828 3.371 5.166 1.00 0.00 C ATOM 782 C ASN A 53 -5.363 3.225 5.564 1.00 0.00 C ATOM 783 O ASN A 53 -4.626 2.427 4.983 1.00 0.00 O ATOM 784 CB ASN A 53 -7.435 1.993 4.895 1.00 0.00 C ATOM 785 CG ASN A 53 -8.941 2.047 4.726 1.00 0.00 C ATOM 786 OD1 ASN A 53 -9.666 2.423 5.647 1.00 0.00 O ATOM 787 ND2 ASN A 53 -9.417 1.669 3.546 1.00 0.00 N ATOM 0 H ASN A 53 -7.132 3.719 3.121 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.365 3.841 5.990 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.986 1.572 3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.188 1.322 5.718 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.422 1.683 3.373 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.778 1.365 2.812 1.00 0.00 H new ATOM 794 N THR A 54 -4.945 4.001 6.559 1.00 0.00 N ATOM 795 CA THR A 54 -3.568 3.959 7.036 1.00 0.00 C ATOM 796 C THR A 54 -3.290 2.670 7.799 1.00 0.00 C ATOM 797 O THR A 54 -4.060 2.279 8.677 1.00 0.00 O ATOM 798 CB THR A 54 -3.252 5.161 7.946 1.00 0.00 C ATOM 799 OG1 THR A 54 -3.511 6.385 7.250 1.00 0.00 O ATOM 800 CG2 THR A 54 -1.801 5.128 8.401 1.00 0.00 C ATOM 0 H THR A 54 -5.541 4.667 7.051 1.00 0.00 H new ATOM 0 HA THR A 54 -2.927 4.002 6.156 1.00 0.00 H new ATOM 0 HB THR A 54 -3.894 5.101 8.825 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.309 7.144 7.836 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.601 5.986 9.042 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.615 4.209 8.956 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.146 5.165 7.531 1.00 0.00 H new ATOM 808 N ILE A 55 -2.185 2.014 7.461 1.00 0.00 N ATOM 809 CA ILE A 55 -1.804 0.770 8.117 1.00 0.00 C ATOM 810 C ILE A 55 -0.308 0.737 8.410 1.00 0.00 C ATOM 811 O ILE A 55 0.500 1.225 7.620 1.00 0.00 O ATOM 812 CB ILE A 55 -2.175 -0.455 7.259 1.00 0.00 C ATOM 813 CG1 ILE A 55 -3.669 -0.443 6.933 1.00 0.00 C ATOM 814 CG2 ILE A 55 -1.795 -1.740 7.979 1.00 0.00 C ATOM 815 CD1 ILE A 55 -4.068 -1.462 5.888 1.00 0.00 C ATOM 0 H ILE A 55 -1.538 2.324 6.736 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.356 0.727 9.056 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.618 -0.407 6.323 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.233 -0.631 7.846 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.949 0.551 6.585 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.063 -2.597 7.361 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.721 -1.749 8.165 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.328 -1.797 8.928 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.141 -1.397 5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.531 -1.262 4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.820 -2.463 6.242 1.00 0.00 H new ATOM 827 N ASP A 56 0.053 0.159 9.550 1.00 0.00 N ATOM 828 CA ASP A 56 1.453 0.060 9.947 1.00 0.00 C ATOM 829 C ASP A 56 2.039 -1.289 9.542 1.00 0.00 C ATOM 830 O ASP A 56 1.359 -2.315 9.600 1.00 0.00 O ATOM 831 CB ASP A 56 1.593 0.259 11.457 1.00 0.00 C ATOM 832 CG ASP A 56 2.954 0.802 11.846 1.00 0.00 C ATOM 833 OD1 ASP A 56 3.150 2.032 11.753 1.00 0.00 O ATOM 834 OD2 ASP A 56 3.823 -0.002 12.243 1.00 0.00 O ATOM 0 H ASP A 56 -0.604 -0.248 10.216 1.00 0.00 H new ATOM 0 HA ASP A 56 2.007 0.845 9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.819 0.944 11.803 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.426 -0.692 11.963 1.00 0.00 H new ATOM 839 N PHE A 57 3.302 -1.281 9.132 1.00 0.00 N ATOM 840 CA PHE A 57 3.979 -2.504 8.716 1.00 0.00 C ATOM 841 C PHE A 57 5.439 -2.497 9.160 1.00 0.00 C ATOM 842 O PHE A 57 6.129 -1.485 9.042 1.00 0.00 O ATOM 843 CB PHE A 57 3.897 -2.666 7.196 1.00 0.00 C ATOM 844 CG PHE A 57 2.579 -3.206 6.721 1.00 0.00 C ATOM 845 CD1 PHE A 57 2.219 -4.519 6.978 1.00 0.00 C ATOM 846 CD2 PHE A 57 1.699 -2.400 6.016 1.00 0.00 C ATOM 847 CE1 PHE A 57 1.006 -5.019 6.543 1.00 0.00 C ATOM 848 CE2 PHE A 57 0.484 -2.894 5.579 1.00 0.00 C ATOM 849 CZ PHE A 57 0.138 -4.206 5.841 1.00 0.00 C ATOM 0 H PHE A 57 3.878 -0.441 9.079 1.00 0.00 H new ATOM 0 HA PHE A 57 3.477 -3.346 9.192 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.075 -1.699 6.725 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.694 -3.333 6.866 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.895 -5.160 7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.965 -1.375 5.806 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.737 -6.044 6.752 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.194 -2.255 5.033 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.809 -4.595 5.497 1.00 0.00 H new ATOM 859 N GLY A 58 5.902 -3.633 9.671 1.00 0.00 N ATOM 860 CA GLY A 58 7.276 -3.737 10.126 1.00 0.00 C ATOM 861 C GLY A 58 8.234 -4.078 9.003 1.00 0.00 C ATOM 862 O GLY A 58 7.842 -4.679 8.002 1.00 0.00 O ATOM 0 H GLY A 58 5.350 -4.484 9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.577 -2.794 10.582 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.342 -4.501 10.900 1.00 0.00 H new ATOM 866 N LYS A 59 9.495 -3.692 9.165 1.00 0.00 N ATOM 867 CA LYS A 59 10.514 -3.959 8.157 1.00 0.00 C ATOM 868 C LYS A 59 10.384 -5.380 7.616 1.00 0.00 C ATOM 869 O LYS A 59 10.734 -5.651 6.467 1.00 0.00 O ATOM 870 CB LYS A 59 11.911 -3.752 8.746 1.00 0.00 C ATOM 871 CG LYS A 59 12.199 -4.630 9.952 1.00 0.00 C ATOM 872 CD LYS A 59 13.600 -4.396 10.491 1.00 0.00 C ATOM 873 CE LYS A 59 13.827 -5.140 11.798 1.00 0.00 C ATOM 874 NZ LYS A 59 13.950 -6.609 11.585 1.00 0.00 N ATOM 0 H LYS A 59 9.836 -3.192 9.986 1.00 0.00 H new ATOM 0 HA LYS A 59 10.367 -3.260 7.334 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.655 -3.953 7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.024 -2.707 9.033 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.468 -4.426 10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.085 -5.678 9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.334 -4.722 9.754 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.757 -3.329 10.647 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.732 -4.765 12.277 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.000 -4.940 12.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.104 -7.081 12.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.077 -6.971 11.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.755 -6.802 10.956 1.00 0.00 H new ATOM 888 N ASP A 60 9.879 -6.282 8.450 1.00 0.00 N ATOM 889 CA ASP A 60 9.701 -7.674 8.054 1.00 0.00 C ATOM 890 C ASP A 60 8.491 -7.828 7.138 1.00 0.00 C ATOM 891 O ASP A 60 8.506 -8.627 6.202 1.00 0.00 O ATOM 892 CB ASP A 60 9.537 -8.561 9.290 1.00 0.00 C ATOM 893 CG ASP A 60 9.231 -10.001 8.932 1.00 0.00 C ATOM 894 OD1 ASP A 60 10.169 -10.728 8.543 1.00 0.00 O ATOM 895 OD2 ASP A 60 8.053 -10.403 9.040 1.00 0.00 O ATOM 0 H ASP A 60 9.586 -6.074 9.405 1.00 0.00 H new ATOM 0 HA ASP A 60 10.590 -7.987 7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.450 -8.524 9.884 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.735 -8.166 9.913 1.00 0.00 H new ATOM 900 N ASP A 61 7.444 -7.059 7.416 1.00 0.00 N ATOM 901 CA ASP A 61 6.225 -7.109 6.617 1.00 0.00 C ATOM 902 C ASP A 61 6.481 -6.602 5.202 1.00 0.00 C ATOM 903 O ASP A 61 6.354 -5.409 4.928 1.00 0.00 O ATOM 904 CB ASP A 61 5.122 -6.280 7.278 1.00 0.00 C ATOM 905 CG ASP A 61 4.335 -7.074 8.302 1.00 0.00 C ATOM 906 OD1 ASP A 61 4.248 -8.312 8.154 1.00 0.00 O ATOM 907 OD2 ASP A 61 3.808 -6.459 9.252 1.00 0.00 O ATOM 0 H ASP A 61 7.415 -6.394 8.189 1.00 0.00 H new ATOM 0 HA ASP A 61 5.902 -8.148 6.558 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.566 -5.409 7.761 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.443 -5.908 6.511 1.00 0.00 H new ATOM 912 N GLN A 62 6.843 -7.516 4.307 1.00 0.00 N ATOM 913 CA GLN A 62 7.119 -7.160 2.921 1.00 0.00 C ATOM 914 C GLN A 62 5.913 -7.451 2.033 1.00 0.00 C ATOM 915 O GLN A 62 5.919 -7.146 0.840 1.00 0.00 O ATOM 916 CB GLN A 62 8.340 -7.925 2.409 1.00 0.00 C ATOM 917 CG GLN A 62 9.599 -7.678 3.225 1.00 0.00 C ATOM 918 CD GLN A 62 10.833 -8.292 2.595 1.00 0.00 C ATOM 919 OE1 GLN A 62 11.416 -9.234 3.133 1.00 0.00 O ATOM 920 NE2 GLN A 62 11.239 -7.761 1.447 1.00 0.00 N ATOM 0 H GLN A 62 6.952 -8.508 4.517 1.00 0.00 H new ATOM 0 HA GLN A 62 7.326 -6.091 2.882 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.118 -8.992 2.413 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.527 -7.643 1.373 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.749 -6.604 3.338 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.465 -8.088 4.226 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.726 -6.981 1.036 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.064 -8.133 0.976 1.00 0.00 H new ATOM 929 N HIS A 63 4.880 -8.044 2.624 1.00 0.00 N ATOM 930 CA HIS A 63 3.666 -8.377 1.886 1.00 0.00 C ATOM 931 C HIS A 63 2.467 -8.466 2.826 1.00 0.00 C ATOM 932 O HIS A 63 2.619 -8.725 4.020 1.00 0.00 O ATOM 933 CB HIS A 63 3.844 -9.699 1.140 1.00 0.00 C ATOM 934 CG HIS A 63 4.576 -10.740 1.930 1.00 0.00 C ATOM 935 ND1 HIS A 63 5.805 -11.241 1.558 1.00 0.00 N ATOM 936 CD2 HIS A 63 4.246 -11.372 3.081 1.00 0.00 C ATOM 937 CE1 HIS A 63 6.199 -12.138 2.444 1.00 0.00 C ATOM 938 NE2 HIS A 63 5.271 -12.236 3.379 1.00 0.00 N ATOM 0 H HIS A 63 4.859 -8.303 3.610 1.00 0.00 H new ATOM 0 HA HIS A 63 3.480 -7.583 1.162 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.863 -10.087 0.866 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.384 -9.513 0.212 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.345 -11.224 3.657 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.123 -12.696 2.410 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.309 -12.853 4.190 1.00 0.00 H new ATOM 947 N PHE A 64 1.275 -8.251 2.279 1.00 0.00 N ATOM 948 CA PHE A 64 0.051 -8.305 3.068 1.00 0.00 C ATOM 949 C PHE A 64 -1.067 -8.995 2.291 1.00 0.00 C ATOM 950 O PHE A 64 -1.237 -8.769 1.092 1.00 0.00 O ATOM 951 CB PHE A 64 -0.387 -6.895 3.469 1.00 0.00 C ATOM 952 CG PHE A 64 -1.512 -6.876 4.463 1.00 0.00 C ATOM 953 CD1 PHE A 64 -1.362 -7.461 5.710 1.00 0.00 C ATOM 954 CD2 PHE A 64 -2.720 -6.273 4.152 1.00 0.00 C ATOM 955 CE1 PHE A 64 -2.396 -7.446 6.627 1.00 0.00 C ATOM 956 CE2 PHE A 64 -3.757 -6.254 5.065 1.00 0.00 C ATOM 957 CZ PHE A 64 -3.595 -6.840 6.304 1.00 0.00 C ATOM 0 H PHE A 64 1.131 -8.038 1.292 1.00 0.00 H new ATOM 0 HA PHE A 64 0.255 -8.884 3.969 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.467 -6.364 3.889 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.693 -6.351 2.576 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.426 -7.934 5.968 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.853 -5.812 3.184 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.267 -7.907 7.595 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.694 -5.781 4.809 1.00 0.00 H new ATOM 0 HZ PHE A 64 -4.404 -6.825 7.020 1.00 0.00 H new ATOM 967 N THR A 65 -1.827 -9.839 2.982 1.00 0.00 N ATOM 968 CA THR A 65 -2.927 -10.563 2.358 1.00 0.00 C ATOM 969 C THR A 65 -4.248 -9.827 2.547 1.00 0.00 C ATOM 970 O THR A 65 -4.799 -9.792 3.647 1.00 0.00 O ATOM 971 CB THR A 65 -3.059 -11.987 2.932 1.00 0.00 C ATOM 972 OG1 THR A 65 -1.794 -12.655 2.882 1.00 0.00 O ATOM 973 CG2 THR A 65 -4.094 -12.789 2.157 1.00 0.00 C ATOM 0 H THR A 65 -1.701 -10.038 3.974 1.00 0.00 H new ATOM 0 HA THR A 65 -2.700 -10.627 1.294 1.00 0.00 H new ATOM 0 HB THR A 65 -3.386 -11.908 3.969 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.886 -13.558 3.250 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.170 -13.791 2.580 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.062 -12.293 2.223 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.792 -12.859 1.112 1.00 0.00 H new ATOM 981 N VAL A 66 -4.752 -9.239 1.467 1.00 0.00 N ATOM 982 CA VAL A 66 -6.010 -8.504 1.513 1.00 0.00 C ATOM 983 C VAL A 66 -7.146 -9.319 0.906 1.00 0.00 C ATOM 984 O VAL A 66 -7.067 -9.758 -0.242 1.00 0.00 O ATOM 985 CB VAL A 66 -5.903 -7.159 0.769 1.00 0.00 C ATOM 986 CG1 VAL A 66 -7.233 -6.423 0.802 1.00 0.00 C ATOM 987 CG2 VAL A 66 -4.796 -6.306 1.369 1.00 0.00 C ATOM 0 H VAL A 66 -4.308 -9.257 0.549 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.226 -8.313 2.564 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.652 -7.358 -0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.138 -5.476 0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.998 -7.033 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.518 -6.233 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.734 -5.360 0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.014 -6.113 2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.845 -6.833 1.286 1.00 0.00 H new ATOM 997 N THR A 67 -8.205 -9.520 1.684 1.00 0.00 N ATOM 998 CA THR A 67 -9.358 -10.283 1.224 1.00 0.00 C ATOM 999 C THR A 67 -10.656 -9.526 1.478 1.00 0.00 C ATOM 1000 O THR A 67 -10.769 -8.773 2.445 1.00 0.00 O ATOM 1001 CB THR A 67 -9.435 -11.657 1.917 1.00 0.00 C ATOM 1002 OG1 THR A 67 -9.664 -11.486 3.320 1.00 0.00 O ATOM 1003 CG2 THR A 67 -8.152 -12.445 1.699 1.00 0.00 C ATOM 0 H THR A 67 -8.288 -9.164 2.636 1.00 0.00 H new ATOM 0 HA THR A 67 -9.231 -10.431 0.152 1.00 0.00 H new ATOM 0 HB THR A 67 -10.264 -12.214 1.480 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.713 -12.364 3.753 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.229 -13.411 2.197 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.996 -12.599 0.631 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.310 -11.890 2.112 1.00 0.00 H new ATOM 1011 N GLY A 68 -11.636 -9.730 0.603 1.00 0.00 N ATOM 1012 CA GLY A 68 -12.915 -9.059 0.750 1.00 0.00 C ATOM 1013 C GLY A 68 -13.058 -7.873 -0.183 1.00 0.00 C ATOM 1014 O GLY A 68 -14.036 -7.127 -0.106 1.00 0.00 O ATOM 0 H GLY A 68 -11.567 -10.348 -0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.719 -9.769 0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.029 -8.723 1.780 1.00 0.00 H new ATOM 1018 N LEU A 69 -12.082 -7.695 -1.066 1.00 0.00 N ATOM 1019 CA LEU A 69 -12.102 -6.590 -2.018 1.00 0.00 C ATOM 1020 C LEU A 69 -13.280 -6.719 -2.977 1.00 0.00 C ATOM 1021 O LEU A 69 -13.512 -7.783 -3.553 1.00 0.00 O ATOM 1022 CB LEU A 69 -10.791 -6.544 -2.804 1.00 0.00 C ATOM 1023 CG LEU A 69 -9.538 -6.196 -2.001 1.00 0.00 C ATOM 1024 CD1 LEU A 69 -8.289 -6.671 -2.727 1.00 0.00 C ATOM 1025 CD2 LEU A 69 -9.469 -4.698 -1.741 1.00 0.00 C ATOM 0 H LEU A 69 -11.266 -8.302 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.214 -5.662 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.638 -7.516 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.898 -5.815 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.592 -6.709 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.407 -6.414 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.334 -7.752 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.229 -6.188 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.570 -4.469 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.439 -4.165 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.348 -4.386 -1.177 1.00 0.00 H new ATOM 1037 N HIS A 70 -14.021 -5.629 -3.148 1.00 0.00 N ATOM 1038 CA HIS A 70 -15.174 -5.620 -4.041 1.00 0.00 C ATOM 1039 C HIS A 70 -14.737 -5.777 -5.494 1.00 0.00 C ATOM 1040 O HIS A 70 -13.932 -4.995 -5.999 1.00 0.00 O ATOM 1041 CB HIS A 70 -15.966 -4.323 -3.872 1.00 0.00 C ATOM 1042 CG HIS A 70 -16.908 -4.344 -2.707 1.00 0.00 C ATOM 1043 ND1 HIS A 70 -18.026 -3.540 -2.629 1.00 0.00 N ATOM 1044 CD2 HIS A 70 -16.894 -5.078 -1.570 1.00 0.00 C ATOM 1045 CE1 HIS A 70 -18.658 -3.779 -1.493 1.00 0.00 C ATOM 1046 NE2 HIS A 70 -17.992 -4.708 -0.833 1.00 0.00 N ATOM 0 H HIS A 70 -13.844 -4.740 -2.680 1.00 0.00 H new ATOM 0 HA HIS A 70 -15.812 -6.464 -3.779 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -15.269 -3.494 -3.750 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -16.532 -4.131 -4.783 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -16.157 -5.817 -1.294 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -19.565 -3.296 -1.161 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -18.251 -5.089 0.077 1.00 0.00 H new ATOM 1055 N LYS A 71 -15.273 -6.794 -6.161 1.00 0.00 N ATOM 1056 CA LYS A 71 -14.939 -7.054 -7.556 1.00 0.00 C ATOM 1057 C LYS A 71 -15.415 -5.915 -8.451 1.00 0.00 C ATOM 1058 O LYS A 71 -16.338 -5.181 -8.101 1.00 0.00 O ATOM 1059 CB LYS A 71 -15.567 -8.373 -8.014 1.00 0.00 C ATOM 1060 CG LYS A 71 -14.667 -9.579 -7.808 1.00 0.00 C ATOM 1061 CD LYS A 71 -14.983 -10.686 -8.800 1.00 0.00 C ATOM 1062 CE LYS A 71 -14.084 -11.895 -8.590 1.00 0.00 C ATOM 1063 NZ LYS A 71 -12.679 -11.618 -8.999 1.00 0.00 N ATOM 0 H LYS A 71 -15.940 -7.451 -5.758 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.854 -7.127 -7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.500 -8.529 -7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -15.822 -8.297 -9.071 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.625 -9.279 -7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.787 -9.955 -6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -16.026 -10.984 -8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.860 -10.312 -9.816 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.106 -12.186 -7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.470 -12.738 -9.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.208 -12.511 -9.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.676 -10.983 -9.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.171 -11.166 -8.212 1.00 0.00 H new ATOM 1077 N GLY A 72 -14.779 -5.773 -9.611 1.00 0.00 N ATOM 1078 CA GLY A 72 -15.152 -4.722 -10.538 1.00 0.00 C ATOM 1079 C GLY A 72 -15.027 -3.340 -9.929 1.00 0.00 C ATOM 1080 O GLY A 72 -15.801 -2.438 -10.251 1.00 0.00 O ATOM 0 H GLY A 72 -14.012 -6.368 -9.924 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.521 -4.783 -11.425 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.179 -4.879 -10.866 1.00 0.00 H new ATOM 1084 N THR A 73 -14.051 -3.171 -9.043 1.00 0.00 N ATOM 1085 CA THR A 73 -13.829 -1.890 -8.384 1.00 0.00 C ATOM 1086 C THR A 73 -12.356 -1.500 -8.424 1.00 0.00 C ATOM 1087 O THR A 73 -11.482 -2.291 -8.067 1.00 0.00 O ATOM 1088 CB THR A 73 -14.300 -1.923 -6.918 1.00 0.00 C ATOM 1089 OG1 THR A 73 -15.727 -2.035 -6.865 1.00 0.00 O ATOM 1090 CG2 THR A 73 -13.857 -0.670 -6.179 1.00 0.00 C ATOM 0 H THR A 73 -13.401 -3.906 -8.765 1.00 0.00 H new ATOM 0 HA THR A 73 -14.414 -1.149 -8.929 1.00 0.00 H new ATOM 0 HB THR A 73 -13.849 -2.789 -6.434 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.019 -2.057 -5.930 1.00 0.00 H new ATOM 0 HG21 THR A 73 -14.201 -0.716 -5.146 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.769 -0.603 -6.196 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.283 0.208 -6.664 1.00 0.00 H new ATOM 1098 N THR A 74 -12.085 -0.273 -8.859 1.00 0.00 N ATOM 1099 CA THR A 74 -10.717 0.223 -8.946 1.00 0.00 C ATOM 1100 C THR A 74 -10.209 0.676 -7.582 1.00 0.00 C ATOM 1101 O THR A 74 -10.967 1.215 -6.774 1.00 0.00 O ATOM 1102 CB THR A 74 -10.606 1.395 -9.938 1.00 0.00 C ATOM 1103 OG1 THR A 74 -11.208 1.038 -11.187 1.00 0.00 O ATOM 1104 CG2 THR A 74 -9.151 1.779 -10.162 1.00 0.00 C ATOM 0 H THR A 74 -12.795 0.396 -9.157 1.00 0.00 H new ATOM 0 HA THR A 74 -10.103 -0.604 -9.303 1.00 0.00 H new ATOM 0 HB THR A 74 -11.130 2.252 -9.514 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.135 1.789 -11.812 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.098 2.609 -10.866 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.704 2.078 -9.214 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.607 0.925 -10.566 1.00 0.00 H new ATOM 1112 N TYR A 75 -8.923 0.456 -7.331 1.00 0.00 N ATOM 1113 CA TYR A 75 -8.315 0.841 -6.064 1.00 0.00 C ATOM 1114 C TYR A 75 -6.965 1.515 -6.290 1.00 0.00 C ATOM 1115 O TYR A 75 -6.384 1.418 -7.371 1.00 0.00 O ATOM 1116 CB TYR A 75 -8.142 -0.384 -5.164 1.00 0.00 C ATOM 1117 CG TYR A 75 -9.411 -0.797 -4.454 1.00 0.00 C ATOM 1118 CD1 TYR A 75 -9.761 -0.236 -3.232 1.00 0.00 C ATOM 1119 CD2 TYR A 75 -10.259 -1.751 -5.003 1.00 0.00 C ATOM 1120 CE1 TYR A 75 -10.919 -0.611 -2.579 1.00 0.00 C ATOM 1121 CE2 TYR A 75 -11.419 -2.131 -4.358 1.00 0.00 C ATOM 1122 CZ TYR A 75 -11.745 -1.559 -3.146 1.00 0.00 C ATOM 1123 OH TYR A 75 -12.900 -1.936 -2.500 1.00 0.00 O ATOM 0 H TYR A 75 -8.282 0.013 -7.989 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.979 1.553 -5.573 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.784 -1.219 -5.766 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.372 -0.173 -4.422 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -9.116 0.506 -2.785 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.006 -2.203 -5.951 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -11.176 -0.164 -1.630 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -12.068 -2.872 -4.800 1.00 0.00 H new ATOM 0 HH TYR A 75 -13.368 -2.612 -3.034 1.00 0.00 H new ATOM 1133 N ILE A 76 -6.472 2.198 -5.261 1.00 0.00 N ATOM 1134 CA ILE A 76 -5.191 2.887 -5.346 1.00 0.00 C ATOM 1135 C ILE A 76 -4.338 2.616 -4.111 1.00 0.00 C ATOM 1136 O ILE A 76 -4.562 3.197 -3.049 1.00 0.00 O ATOM 1137 CB ILE A 76 -5.378 4.407 -5.503 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -6.391 4.707 -6.610 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -4.045 5.077 -5.803 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -7.160 5.991 -6.394 1.00 0.00 C ATOM 0 H ILE A 76 -6.941 2.288 -4.360 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.682 2.499 -6.229 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.762 4.809 -4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.868 4.763 -7.565 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.096 3.878 -6.681 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.194 6.151 -5.911 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.350 4.888 -4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.635 4.673 -6.728 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.859 6.139 -7.217 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.711 5.931 -5.456 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.464 6.829 -6.353 1.00 0.00 H new ATOM 1152 N PHE A 77 -3.359 1.729 -4.258 1.00 0.00 N ATOM 1153 CA PHE A 77 -2.471 1.381 -3.154 1.00 0.00 C ATOM 1154 C PHE A 77 -1.277 2.330 -3.097 1.00 0.00 C ATOM 1155 O PHE A 77 -0.740 2.731 -4.129 1.00 0.00 O ATOM 1156 CB PHE A 77 -1.984 -0.062 -3.300 1.00 0.00 C ATOM 1157 CG PHE A 77 -3.041 -1.085 -2.997 1.00 0.00 C ATOM 1158 CD1 PHE A 77 -3.939 -1.483 -3.975 1.00 0.00 C ATOM 1159 CD2 PHE A 77 -3.138 -1.648 -1.735 1.00 0.00 C ATOM 1160 CE1 PHE A 77 -4.913 -2.424 -3.700 1.00 0.00 C ATOM 1161 CE2 PHE A 77 -4.110 -2.590 -1.455 1.00 0.00 C ATOM 1162 CZ PHE A 77 -4.999 -2.978 -2.438 1.00 0.00 C ATOM 0 H PHE A 77 -3.160 1.238 -5.130 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.032 1.476 -2.224 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.623 -0.214 -4.317 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.136 -0.220 -2.634 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.877 -1.053 -4.964 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.447 -1.348 -0.962 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.606 -2.726 -4.471 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.174 -3.023 -0.468 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.760 -3.713 -2.220 1.00 0.00 H new ATOM 1172 N ARG A 78 -0.869 2.684 -1.883 1.00 0.00 N ATOM 1173 CA ARG A 78 0.260 3.587 -1.690 1.00 0.00 C ATOM 1174 C ARG A 78 1.152 3.106 -0.549 1.00 0.00 C ATOM 1175 O ARG A 78 0.669 2.792 0.540 1.00 0.00 O ATOM 1176 CB ARG A 78 -0.237 5.004 -1.400 1.00 0.00 C ATOM 1177 CG ARG A 78 -0.419 5.853 -2.648 1.00 0.00 C ATOM 1178 CD ARG A 78 -0.916 7.248 -2.305 1.00 0.00 C ATOM 1179 NE ARG A 78 -2.374 7.322 -2.290 1.00 0.00 N ATOM 1180 CZ ARG A 78 -3.053 8.329 -1.752 1.00 0.00 C ATOM 1181 NH1 ARG A 78 -2.409 9.341 -1.188 1.00 0.00 N ATOM 1182 NH2 ARG A 78 -4.380 8.324 -1.777 1.00 0.00 N ATOM 0 H ARG A 78 -1.303 2.360 -1.019 1.00 0.00 H new ATOM 0 HA ARG A 78 0.847 3.596 -2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.187 4.945 -0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.470 5.499 -0.734 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.528 5.924 -3.182 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.128 5.368 -3.319 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.528 7.541 -1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.524 7.961 -3.031 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.900 6.559 -2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.389 9.348 -1.166 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.933 10.113 -0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.879 7.547 -2.209 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.901 9.098 -1.364 1.00 0.00 H new ATOM 1196 N LEU A 79 2.454 3.049 -0.806 1.00 0.00 N ATOM 1197 CA LEU A 79 3.414 2.606 0.199 1.00 0.00 C ATOM 1198 C LEU A 79 4.546 3.616 0.353 1.00 0.00 C ATOM 1199 O LEU A 79 4.806 4.415 -0.547 1.00 0.00 O ATOM 1200 CB LEU A 79 3.983 1.238 -0.180 1.00 0.00 C ATOM 1201 CG LEU A 79 4.790 0.523 0.905 1.00 0.00 C ATOM 1202 CD1 LEU A 79 3.885 0.101 2.052 1.00 0.00 C ATOM 1203 CD2 LEU A 79 5.515 -0.682 0.324 1.00 0.00 C ATOM 0 H LEU A 79 2.869 3.304 -1.702 1.00 0.00 H new ATOM 0 HA LEU A 79 2.893 2.524 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.156 0.592 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.619 1.361 -1.056 1.00 0.00 H new ATOM 0 HG LEU A 79 5.535 1.217 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.476 -0.406 2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.412 0.982 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.117 -0.576 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.084 -1.178 1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.787 -1.379 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.194 -0.354 -0.463 1.00 0.00 H new ATOM 1215 N ALA A 80 5.219 3.573 1.498 1.00 0.00 N ATOM 1216 CA ALA A 80 6.327 4.481 1.768 1.00 0.00 C ATOM 1217 C ALA A 80 7.324 3.857 2.738 1.00 0.00 C ATOM 1218 O ALA A 80 6.941 3.136 3.659 1.00 0.00 O ATOM 1219 CB ALA A 80 5.806 5.800 2.320 1.00 0.00 C ATOM 0 H ALA A 80 5.016 2.919 2.254 1.00 0.00 H new ATOM 0 HA ALA A 80 6.845 4.672 0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.644 6.468 2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.138 6.261 1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.262 5.617 3.247 1.00 0.00 H new ATOM 1225 N ALA A 81 8.606 4.138 2.524 1.00 0.00 N ATOM 1226 CA ALA A 81 9.658 3.605 3.380 1.00 0.00 C ATOM 1227 C ALA A 81 9.914 4.523 4.571 1.00 0.00 C ATOM 1228 O ALA A 81 9.750 5.739 4.478 1.00 0.00 O ATOM 1229 CB ALA A 81 10.937 3.404 2.582 1.00 0.00 C ATOM 0 H ALA A 81 8.940 4.732 1.765 1.00 0.00 H new ATOM 0 HA ALA A 81 9.327 2.640 3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.714 3.005 3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.752 2.703 1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.263 4.359 2.171 1.00 0.00 H new ATOM 1235 N LYS A 82 10.317 3.932 5.691 1.00 0.00 N ATOM 1236 CA LYS A 82 10.597 4.696 6.901 1.00 0.00 C ATOM 1237 C LYS A 82 11.981 4.360 7.449 1.00 0.00 C ATOM 1238 O LYS A 82 12.273 3.206 7.757 1.00 0.00 O ATOM 1239 CB LYS A 82 9.534 4.413 7.965 1.00 0.00 C ATOM 1240 CG LYS A 82 9.325 5.561 8.937 1.00 0.00 C ATOM 1241 CD LYS A 82 8.361 5.182 10.049 1.00 0.00 C ATOM 1242 CE LYS A 82 7.793 6.414 10.737 1.00 0.00 C ATOM 1243 NZ LYS A 82 7.309 6.107 12.112 1.00 0.00 N ATOM 0 H LYS A 82 10.457 2.926 5.786 1.00 0.00 H new ATOM 0 HA LYS A 82 10.574 5.755 6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.588 4.190 7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.820 3.522 8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.283 5.853 9.368 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.940 6.428 8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.547 4.585 9.638 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.875 4.559 10.781 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.559 7.188 10.786 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.971 6.815 10.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.929 6.972 12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.561 5.386 12.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.099 5.748 12.686 1.00 0.00 H new ATOM 1257 N ASN A 83 12.828 5.377 7.568 1.00 0.00 N ATOM 1258 CA ASN A 83 14.180 5.190 8.080 1.00 0.00 C ATOM 1259 C ASN A 83 14.384 5.966 9.377 1.00 0.00 C ATOM 1260 O ASN A 83 13.468 6.625 9.868 1.00 0.00 O ATOM 1261 CB ASN A 83 15.208 5.636 7.038 1.00 0.00 C ATOM 1262 CG ASN A 83 15.007 7.076 6.608 1.00 0.00 C ATOM 1263 OD1 ASN A 83 14.145 7.779 7.135 1.00 0.00 O ATOM 1264 ND2 ASN A 83 15.804 7.522 5.644 1.00 0.00 N ATOM 0 H ASN A 83 12.602 6.339 7.317 1.00 0.00 H new ATOM 0 HA ASN A 83 14.319 4.129 8.288 1.00 0.00 H new ATOM 0 HB2 ASN A 83 16.211 5.519 7.448 1.00 0.00 H new ATOM 0 HB3 ASN A 83 15.142 4.986 6.165 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.715 8.482 5.312 1.00 0.00 H new ATOM 0 HD22 ASN A 83 16.505 6.904 5.235 1.00 0.00 H new ATOM 1271 N ARG A 84 15.592 5.884 9.926 1.00 0.00 N ATOM 1272 CA ARG A 84 15.916 6.578 11.166 1.00 0.00 C ATOM 1273 C ARG A 84 15.406 8.016 11.134 1.00 0.00 C ATOM 1274 O ARG A 84 14.938 8.542 12.143 1.00 0.00 O ATOM 1275 CB ARG A 84 17.427 6.567 11.402 1.00 0.00 C ATOM 1276 CG ARG A 84 17.965 5.215 11.842 1.00 0.00 C ATOM 1277 CD ARG A 84 19.241 5.361 12.657 1.00 0.00 C ATOM 1278 NE ARG A 84 20.430 5.400 11.809 1.00 0.00 N ATOM 1279 CZ ARG A 84 20.940 4.331 11.210 1.00 0.00 C ATOM 1280 NH1 ARG A 84 20.369 3.144 11.363 1.00 0.00 N ATOM 1281 NH2 ARG A 84 22.025 4.447 10.454 1.00 0.00 N ATOM 0 H ARG A 84 16.362 5.344 9.531 1.00 0.00 H new ATOM 0 HA ARG A 84 15.423 6.054 11.985 1.00 0.00 H new ATOM 0 HB2 ARG A 84 17.932 6.868 10.484 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.673 7.311 12.160 1.00 0.00 H new ATOM 0 HG2 ARG A 84 17.211 4.698 12.435 1.00 0.00 H new ATOM 0 HG3 ARG A 84 18.161 4.597 10.965 1.00 0.00 H new ATOM 0 HD2 ARG A 84 19.189 6.273 13.251 1.00 0.00 H new ATOM 0 HD3 ARG A 84 19.322 4.529 13.357 1.00 0.00 H new ATOM 0 HE ARG A 84 20.894 6.298 11.670 1.00 0.00 H new ATOM 0 HH11 ARG A 84 19.535 3.050 11.943 1.00 0.00 H new ATOM 0 HH12 ARG A 84 20.764 2.325 10.901 1.00 0.00 H new ATOM 0 HH21 ARG A 84 22.467 5.358 10.333 1.00 0.00 H new ATOM 0 HH22 ARG A 84 22.416 3.625 9.994 1.00 0.00 H new ATOM 1295 N ALA A 85 15.502 8.646 9.967 1.00 0.00 N ATOM 1296 CA ALA A 85 15.050 10.022 9.803 1.00 0.00 C ATOM 1297 C ALA A 85 13.528 10.097 9.756 1.00 0.00 C ATOM 1298 O ALA A 85 12.930 11.068 10.219 1.00 0.00 O ATOM 1299 CB ALA A 85 15.649 10.627 8.542 1.00 0.00 C ATOM 0 H ALA A 85 15.889 8.225 9.122 1.00 0.00 H new ATOM 0 HA ALA A 85 15.390 10.596 10.665 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.303 11.655 8.432 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.737 10.616 8.614 1.00 0.00 H new ATOM 0 HB3 ALA A 85 15.337 10.044 7.675 1.00 0.00 H new ATOM 1305 N GLY A 86 12.905 9.066 9.192 1.00 0.00 N ATOM 1306 CA GLY A 86 11.458 9.036 9.095 1.00 0.00 C ATOM 1307 C GLY A 86 10.978 8.528 7.750 1.00 0.00 C ATOM 1308 O GLY A 86 11.742 7.919 6.999 1.00 0.00 O ATOM 0 H GLY A 86 13.377 8.251 8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.057 8.400 9.884 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.065 10.039 9.263 1.00 0.00 H new ATOM 1312 N LEU A 87 9.709 8.776 7.444 1.00 0.00 N ATOM 1313 CA LEU A 87 9.127 8.337 6.180 1.00 0.00 C ATOM 1314 C LEU A 87 9.665 9.163 5.017 1.00 0.00 C ATOM 1315 O LEU A 87 10.008 10.333 5.179 1.00 0.00 O ATOM 1316 CB LEU A 87 7.602 8.444 6.234 1.00 0.00 C ATOM 1317 CG LEU A 87 6.922 7.756 7.419 1.00 0.00 C ATOM 1318 CD1 LEU A 87 5.584 8.413 7.722 1.00 0.00 C ATOM 1319 CD2 LEU A 87 6.738 6.272 7.139 1.00 0.00 C ATOM 0 H LEU A 87 9.064 9.278 8.053 1.00 0.00 H new ATOM 0 HA LEU A 87 9.407 7.295 6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.332 9.500 6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.196 8.024 5.314 1.00 0.00 H new ATOM 0 HG LEU A 87 7.563 7.864 8.294 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.115 7.910 8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.742 9.464 7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.935 8.337 6.849 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.253 5.798 7.992 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.118 6.143 6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.711 5.810 6.972 1.00 0.00 H new ATOM 1331 N GLY A 88 9.735 8.546 3.841 1.00 0.00 N ATOM 1332 CA GLY A 88 10.231 9.240 2.667 1.00 0.00 C ATOM 1333 C GLY A 88 9.241 9.216 1.519 1.00 0.00 C ATOM 1334 O GLY A 88 8.030 9.246 1.735 1.00 0.00 O ATOM 0 H GLY A 88 9.457 7.578 3.681 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.456 10.274 2.928 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.166 8.782 2.346 1.00 0.00 H new ATOM 1338 N GLU A 89 9.758 9.163 0.295 1.00 0.00 N ATOM 1339 CA GLU A 89 8.910 9.138 -0.891 1.00 0.00 C ATOM 1340 C GLU A 89 7.847 8.050 -0.777 1.00 0.00 C ATOM 1341 O GLU A 89 7.897 7.212 0.123 1.00 0.00 O ATOM 1342 CB GLU A 89 9.756 8.910 -2.145 1.00 0.00 C ATOM 1343 CG GLU A 89 10.253 10.195 -2.786 1.00 0.00 C ATOM 1344 CD GLU A 89 9.126 11.047 -3.336 1.00 0.00 C ATOM 1345 OE1 GLU A 89 8.738 10.836 -4.504 1.00 0.00 O ATOM 1346 OE2 GLU A 89 8.631 11.924 -2.598 1.00 0.00 O ATOM 0 H GLU A 89 10.759 9.137 0.099 1.00 0.00 H new ATOM 0 HA GLU A 89 8.410 10.103 -0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.613 8.288 -1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.167 8.354 -2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.813 10.771 -2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.945 9.950 -3.592 1.00 0.00 H new ATOM 1353 N GLU A 90 6.885 8.072 -1.695 1.00 0.00 N ATOM 1354 CA GLU A 90 5.809 7.088 -1.696 1.00 0.00 C ATOM 1355 C GLU A 90 5.488 6.635 -3.117 1.00 0.00 C ATOM 1356 O GLU A 90 5.587 7.413 -4.066 1.00 0.00 O ATOM 1357 CB GLU A 90 4.556 7.670 -1.039 1.00 0.00 C ATOM 1358 CG GLU A 90 4.048 8.935 -1.709 1.00 0.00 C ATOM 1359 CD GLU A 90 2.549 9.111 -1.564 1.00 0.00 C ATOM 1360 OE1 GLU A 90 1.993 8.645 -0.548 1.00 0.00 O ATOM 1361 OE2 GLU A 90 1.932 9.715 -2.466 1.00 0.00 O ATOM 0 H GLU A 90 6.829 8.760 -2.446 1.00 0.00 H new ATOM 0 HA GLU A 90 6.142 6.222 -1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.766 6.919 -1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.772 7.885 0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.555 9.798 -1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.306 8.910 -2.768 1.00 0.00 H new ATOM 1368 N PHE A 91 5.102 5.371 -3.256 1.00 0.00 N ATOM 1369 CA PHE A 91 4.767 4.812 -4.561 1.00 0.00 C ATOM 1370 C PHE A 91 3.262 4.599 -4.691 1.00 0.00 C ATOM 1371 O PHE A 91 2.619 4.072 -3.784 1.00 0.00 O ATOM 1372 CB PHE A 91 5.503 3.488 -4.776 1.00 0.00 C ATOM 1373 CG PHE A 91 5.350 2.936 -6.165 1.00 0.00 C ATOM 1374 CD1 PHE A 91 4.121 2.479 -6.612 1.00 0.00 C ATOM 1375 CD2 PHE A 91 6.436 2.876 -7.024 1.00 0.00 C ATOM 1376 CE1 PHE A 91 3.979 1.970 -7.889 1.00 0.00 C ATOM 1377 CE2 PHE A 91 6.299 2.369 -8.302 1.00 0.00 C ATOM 1378 CZ PHE A 91 5.069 1.917 -8.736 1.00 0.00 C ATOM 0 H PHE A 91 5.013 4.714 -2.481 1.00 0.00 H new ATOM 0 HA PHE A 91 5.082 5.522 -5.325 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.563 3.632 -4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.133 2.755 -4.059 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.265 2.521 -5.955 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.400 3.230 -6.691 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.016 1.614 -8.225 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.154 2.326 -8.961 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.959 1.523 -9.735 1.00 0.00 H new ATOM 1388 N GLU A 92 2.708 5.012 -5.826 1.00 0.00 N ATOM 1389 CA GLU A 92 1.278 4.868 -6.075 1.00 0.00 C ATOM 1390 C GLU A 92 1.020 3.872 -7.202 1.00 0.00 C ATOM 1391 O GLU A 92 1.670 3.917 -8.247 1.00 0.00 O ATOM 1392 CB GLU A 92 0.659 6.222 -6.424 1.00 0.00 C ATOM 1393 CG GLU A 92 -0.793 6.133 -6.864 1.00 0.00 C ATOM 1394 CD GLU A 92 -1.439 7.495 -7.025 1.00 0.00 C ATOM 1395 OE1 GLU A 92 -1.821 8.095 -5.999 1.00 0.00 O ATOM 1396 OE2 GLU A 92 -1.562 7.962 -8.177 1.00 0.00 O ATOM 0 H GLU A 92 3.227 5.449 -6.588 1.00 0.00 H new ATOM 0 HA GLU A 92 0.813 4.489 -5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.727 6.878 -5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.243 6.685 -7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.850 5.594 -7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.355 5.553 -6.133 1.00 0.00 H new ATOM 1403 N LYS A 93 0.067 2.973 -6.983 1.00 0.00 N ATOM 1404 CA LYS A 93 -0.280 1.966 -7.979 1.00 0.00 C ATOM 1405 C LYS A 93 -1.793 1.797 -8.078 1.00 0.00 C ATOM 1406 O LYS A 93 -2.469 1.587 -7.072 1.00 0.00 O ATOM 1407 CB LYS A 93 0.372 0.627 -7.628 1.00 0.00 C ATOM 1408 CG LYS A 93 0.540 -0.299 -8.820 1.00 0.00 C ATOM 1409 CD LYS A 93 -0.792 -0.869 -9.277 1.00 0.00 C ATOM 1410 CE LYS A 93 -0.601 -2.048 -10.218 1.00 0.00 C ATOM 1411 NZ LYS A 93 -0.084 -1.619 -11.547 1.00 0.00 N ATOM 0 H LYS A 93 -0.480 2.921 -6.123 1.00 0.00 H new ATOM 0 HA LYS A 93 0.094 2.303 -8.946 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.349 0.814 -7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.232 0.126 -6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.005 0.246 -9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.214 -1.114 -8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.371 -1.185 -8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.369 -0.092 -9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.093 -2.760 -9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.551 -2.566 -10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.033 -2.451 -12.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.758 -0.959 -11.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.835 -1.147 -11.426 1.00 0.00 H new ATOM 1425 N GLU A 94 -2.315 1.888 -9.297 1.00 0.00 N ATOM 1426 CA GLU A 94 -3.748 1.744 -9.526 1.00 0.00 C ATOM 1427 C GLU A 94 -4.071 0.371 -10.108 1.00 0.00 C ATOM 1428 O GLU A 94 -3.395 -0.101 -11.023 1.00 0.00 O ATOM 1429 CB GLU A 94 -4.249 2.840 -10.468 1.00 0.00 C ATOM 1430 CG GLU A 94 -5.706 2.680 -10.868 1.00 0.00 C ATOM 1431 CD GLU A 94 -5.907 1.613 -11.927 1.00 0.00 C ATOM 1432 OE1 GLU A 94 -5.292 1.728 -13.008 1.00 0.00 O ATOM 1433 OE2 GLU A 94 -6.677 0.663 -11.674 1.00 0.00 O ATOM 0 H GLU A 94 -1.768 2.061 -10.140 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.255 1.841 -8.566 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.118 3.809 -9.987 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.633 2.844 -11.367 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.295 2.427 -9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.083 3.632 -11.241 1.00 0.00 H new ATOM 1440 N ILE A 95 -5.107 -0.264 -9.571 1.00 0.00 N ATOM 1441 CA ILE A 95 -5.520 -1.582 -10.037 1.00 0.00 C ATOM 1442 C ILE A 95 -7.039 -1.686 -10.117 1.00 0.00 C ATOM 1443 O ILE A 95 -7.756 -0.763 -9.730 1.00 0.00 O ATOM 1444 CB ILE A 95 -4.988 -2.697 -9.117 1.00 0.00 C ATOM 1445 CG1 ILE A 95 -5.741 -2.692 -7.786 1.00 0.00 C ATOM 1446 CG2 ILE A 95 -3.494 -2.526 -8.887 1.00 0.00 C ATOM 1447 CD1 ILE A 95 -5.749 -1.343 -7.101 1.00 0.00 C ATOM 0 H ILE A 95 -5.676 0.113 -8.813 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.096 -1.711 -11.033 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.153 -3.659 -9.603 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.770 -3.009 -7.959 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.289 -3.426 -7.119 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.133 -3.321 -8.235 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.971 -2.574 -9.842 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.306 -1.560 -8.419 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.300 -1.414 -6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.724 -1.033 -6.897 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.228 -0.609 -7.749 1.00 0.00 H new ATOM 1459 N ARG A 96 -7.524 -2.817 -10.620 1.00 0.00 N ATOM 1460 CA ARG A 96 -8.958 -3.042 -10.749 1.00 0.00 C ATOM 1461 C ARG A 96 -9.281 -4.533 -10.701 1.00 0.00 C ATOM 1462 O ARG A 96 -8.877 -5.296 -11.579 1.00 0.00 O ATOM 1463 CB ARG A 96 -9.474 -2.440 -12.057 1.00 0.00 C ATOM 1464 CG ARG A 96 -10.990 -2.420 -12.163 1.00 0.00 C ATOM 1465 CD ARG A 96 -11.447 -2.085 -13.574 1.00 0.00 C ATOM 1466 NE ARG A 96 -10.926 -0.797 -14.026 1.00 0.00 N ATOM 1467 CZ ARG A 96 -10.941 -0.403 -15.294 1.00 0.00 C ATOM 1468 NH1 ARG A 96 -11.447 -1.192 -16.231 1.00 0.00 N ATOM 1469 NH2 ARG A 96 -10.448 0.784 -15.627 1.00 0.00 N ATOM 0 H ARG A 96 -6.945 -3.591 -10.945 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.454 -2.553 -9.911 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.098 -1.421 -12.151 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.067 -3.008 -12.894 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.389 -3.392 -11.872 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.395 -1.687 -11.465 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.119 -2.869 -14.257 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.536 -2.068 -13.608 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.529 -0.166 -13.330 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.826 -2.105 -15.979 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.457 -0.887 -17.204 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.057 1.394 -14.909 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.460 1.086 -16.601 1.00 0.00 H new ATOM 1483 N THR A 97 -10.012 -4.942 -9.669 1.00 0.00 N ATOM 1484 CA THR A 97 -10.387 -6.341 -9.505 1.00 0.00 C ATOM 1485 C THR A 97 -11.252 -6.818 -10.666 1.00 0.00 C ATOM 1486 O THR A 97 -12.216 -6.164 -11.063 1.00 0.00 O ATOM 1487 CB THR A 97 -11.150 -6.566 -8.186 1.00 0.00 C ATOM 1488 OG1 THR A 97 -12.243 -5.646 -8.088 1.00 0.00 O ATOM 1489 CG2 THR A 97 -10.226 -6.393 -6.990 1.00 0.00 C ATOM 0 H THR A 97 -10.356 -4.324 -8.934 1.00 0.00 H new ATOM 0 HA THR A 97 -9.461 -6.916 -9.485 1.00 0.00 H new ATOM 0 HB THR A 97 -11.534 -7.586 -8.184 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.536 -5.584 -7.155 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.787 -6.557 -6.070 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.412 -7.115 -7.052 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.816 -5.383 -6.990 1.00 0.00 H new ATOM 1497 N PRO A 98 -10.900 -7.985 -11.226 1.00 0.00 N ATOM 1498 CA PRO A 98 -11.633 -8.577 -12.349 1.00 0.00 C ATOM 1499 C PRO A 98 -13.015 -9.075 -11.942 1.00 0.00 C ATOM 1500 O PRO A 98 -13.141 -10.079 -11.242 1.00 0.00 O ATOM 1501 CB PRO A 98 -10.745 -9.749 -12.774 1.00 0.00 C ATOM 1502 CG PRO A 98 -9.979 -10.107 -11.547 1.00 0.00 C ATOM 1503 CD PRO A 98 -9.762 -8.818 -10.803 1.00 0.00 C ATOM 0 HA PRO A 98 -11.815 -7.853 -13.143 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -11.341 -10.590 -13.128 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -10.078 -9.466 -13.589 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -10.531 -10.821 -10.937 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -9.028 -10.575 -11.803 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -9.756 -8.973 -9.724 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -8.809 -8.359 -11.064 1.00 0.00 H new ATOM 1511 N GLU A 99 -14.049 -8.367 -12.387 1.00 0.00 N ATOM 1512 CA GLU A 99 -15.422 -8.739 -12.067 1.00 0.00 C ATOM 1513 C GLU A 99 -15.614 -10.250 -12.168 1.00 0.00 C ATOM 1514 O GLU A 99 -14.793 -10.953 -12.757 1.00 0.00 O ATOM 1515 CB GLU A 99 -16.399 -8.026 -13.005 1.00 0.00 C ATOM 1516 CG GLU A 99 -15.931 -7.980 -14.450 1.00 0.00 C ATOM 1517 CD GLU A 99 -16.548 -9.075 -15.298 1.00 0.00 C ATOM 1518 OE1 GLU A 99 -16.221 -10.258 -15.067 1.00 0.00 O ATOM 1519 OE2 GLU A 99 -17.355 -8.749 -16.193 1.00 0.00 O ATOM 0 H GLU A 99 -13.962 -7.534 -12.969 1.00 0.00 H new ATOM 0 HA GLU A 99 -15.625 -8.432 -11.041 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -17.365 -8.529 -12.961 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -16.553 -7.007 -12.649 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -16.181 -7.009 -14.878 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -14.845 -8.071 -14.479 1.00 0.00 H new ATOM 1526 N ASP A 100 -16.704 -10.741 -11.589 1.00 0.00 N ATOM 1527 CA ASP A 100 -17.005 -12.168 -11.614 1.00 0.00 C ATOM 1528 C ASP A 100 -18.176 -12.460 -12.548 1.00 0.00 C ATOM 1529 O ASP A 100 -18.057 -13.259 -13.478 1.00 0.00 O ATOM 1530 CB ASP A 100 -17.325 -12.668 -10.204 1.00 0.00 C ATOM 1531 CG ASP A 100 -17.946 -14.051 -10.207 1.00 0.00 C ATOM 1532 OD1 ASP A 100 -17.236 -15.019 -10.552 1.00 0.00 O ATOM 1533 OD2 ASP A 100 -19.142 -14.166 -9.865 1.00 0.00 O ATOM 0 H ASP A 100 -17.393 -10.173 -11.097 1.00 0.00 H new ATOM 0 HA ASP A 100 -16.126 -12.693 -11.987 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -16.410 -12.685 -9.611 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -18.006 -11.968 -9.719 1.00 0.00 H new ATOM 1538 N LEU A 101 -19.305 -11.809 -12.294 1.00 0.00 N ATOM 1539 CA LEU A 101 -20.499 -12.000 -13.111 1.00 0.00 C ATOM 1540 C LEU A 101 -20.151 -11.972 -14.596 1.00 0.00 C ATOM 1541 O LEU A 101 -19.628 -10.980 -15.103 1.00 0.00 O ATOM 1542 CB LEU A 101 -21.534 -10.918 -12.797 1.00 0.00 C ATOM 1543 CG LEU A 101 -22.923 -11.123 -13.401 1.00 0.00 C ATOM 1544 CD1 LEU A 101 -23.979 -10.417 -12.564 1.00 0.00 C ATOM 1545 CD2 LEU A 101 -22.959 -10.625 -14.839 1.00 0.00 C ATOM 0 H LEU A 101 -19.420 -11.144 -11.529 1.00 0.00 H new ATOM 0 HA LEU A 101 -20.921 -12.977 -12.873 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -21.638 -10.846 -11.714 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -21.146 -9.961 -13.145 1.00 0.00 H new ATOM 0 HG LEU A 101 -23.143 -12.191 -13.402 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -24.961 -10.574 -13.010 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -23.971 -10.821 -11.552 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -23.763 -9.349 -12.530 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -23.956 -10.779 -15.253 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -22.717 -9.563 -14.862 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -22.230 -11.176 -15.433 1.00 0.00 H new ATOM 1557 N SER A 102 -20.449 -13.067 -15.289 1.00 0.00 N ATOM 1558 CA SER A 102 -20.167 -13.169 -16.716 1.00 0.00 C ATOM 1559 C SER A 102 -21.454 -13.090 -17.531 1.00 0.00 C ATOM 1560 O SER A 102 -22.550 -13.274 -17.002 1.00 0.00 O ATOM 1561 CB SER A 102 -19.436 -14.478 -17.020 1.00 0.00 C ATOM 1562 OG SER A 102 -18.036 -14.328 -16.864 1.00 0.00 O ATOM 0 H SER A 102 -20.886 -13.896 -14.885 1.00 0.00 H new ATOM 0 HA SER A 102 -19.529 -12.331 -16.996 1.00 0.00 H new ATOM 0 HB2 SER A 102 -19.797 -15.263 -16.355 1.00 0.00 H new ATOM 0 HB3 SER A 102 -19.660 -14.795 -18.039 1.00 0.00 H new ATOM 0 HG SER A 102 -17.592 -15.179 -17.062 1.00 0.00 H new ATOM 1568 N GLY A 103 -21.313 -12.816 -18.824 1.00 0.00 N ATOM 1569 CA GLY A 103 -22.471 -12.717 -19.693 1.00 0.00 C ATOM 1570 C GLY A 103 -22.648 -13.944 -20.565 1.00 0.00 C ATOM 1571 O GLY A 103 -21.833 -14.867 -20.548 1.00 0.00 O ATOM 0 H GLY A 103 -20.417 -12.661 -19.286 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -23.365 -12.574 -19.087 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -22.371 -11.836 -20.327 1.00 0.00 H new ATOM 1575 N PRO A 104 -23.736 -13.966 -21.349 1.00 0.00 N ATOM 1576 CA PRO A 104 -24.043 -15.084 -22.246 1.00 0.00 C ATOM 1577 C PRO A 104 -23.075 -15.168 -23.421 1.00 0.00 C ATOM 1578 O PRO A 104 -23.322 -14.596 -24.483 1.00 0.00 O ATOM 1579 CB PRO A 104 -25.457 -14.765 -22.739 1.00 0.00 C ATOM 1580 CG PRO A 104 -25.576 -13.285 -22.617 1.00 0.00 C ATOM 1581 CD PRO A 104 -24.750 -12.901 -21.420 1.00 0.00 C ATOM 0 HA PRO A 104 -23.960 -16.046 -21.741 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -25.600 -15.090 -23.770 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -26.210 -15.274 -22.137 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -25.213 -12.789 -23.517 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -26.616 -12.986 -22.486 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -24.293 -11.919 -21.545 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -25.353 -12.859 -20.513 1.00 0.00 H new ATOM 1589 N SER A 105 -21.973 -15.884 -23.224 1.00 0.00 N ATOM 1590 CA SER A 105 -20.966 -16.039 -24.267 1.00 0.00 C ATOM 1591 C SER A 105 -21.369 -17.131 -25.253 1.00 0.00 C ATOM 1592 O SER A 105 -21.108 -18.313 -25.029 1.00 0.00 O ATOM 1593 CB SER A 105 -19.607 -16.371 -23.648 1.00 0.00 C ATOM 1594 OG SER A 105 -18.888 -15.192 -23.331 1.00 0.00 O ATOM 0 H SER A 105 -21.755 -16.366 -22.352 1.00 0.00 H new ATOM 0 HA SER A 105 -20.890 -15.096 -24.808 1.00 0.00 H new ATOM 0 HB2 SER A 105 -19.751 -16.966 -22.746 1.00 0.00 H new ATOM 0 HB3 SER A 105 -19.027 -16.979 -24.342 1.00 0.00 H new ATOM 0 HG SER A 105 -18.024 -15.432 -22.935 1.00 0.00 H new ATOM 1600 N SER A 106 -22.007 -16.726 -26.347 1.00 0.00 N ATOM 1601 CA SER A 106 -22.450 -17.669 -27.366 1.00 0.00 C ATOM 1602 C SER A 106 -22.247 -17.093 -28.764 1.00 0.00 C ATOM 1603 O SER A 106 -22.646 -15.964 -29.047 1.00 0.00 O ATOM 1604 CB SER A 106 -23.924 -18.023 -27.158 1.00 0.00 C ATOM 1605 OG SER A 106 -24.231 -19.284 -27.726 1.00 0.00 O ATOM 0 H SER A 106 -22.228 -15.751 -26.550 1.00 0.00 H new ATOM 0 HA SER A 106 -21.850 -18.574 -27.273 1.00 0.00 H new ATOM 0 HB2 SER A 106 -24.151 -18.036 -26.092 1.00 0.00 H new ATOM 0 HB3 SER A 106 -24.553 -17.255 -27.609 1.00 0.00 H new ATOM 0 HG SER A 106 -25.178 -19.488 -27.578 1.00 0.00 H new ATOM 1611 N GLY A 107 -21.623 -17.878 -29.637 1.00 0.00 N ATOM 1612 CA GLY A 107 -21.377 -17.430 -30.995 1.00 0.00 C ATOM 1613 C GLY A 107 -22.017 -18.335 -32.029 1.00 0.00 C ATOM 1614 O GLY A 107 -21.823 -19.550 -32.006 1.00 0.00 O ATOM 0 H GLY A 107 -21.283 -18.817 -29.428 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -21.761 -16.417 -31.115 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -20.302 -17.386 -31.171 1.00 0.00 H new TER 1618 GLY A 107