USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 821 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 68 GLN : amide:sc= -0.0922 K(o=-0.055,f=-1.2) USER MOD Set 1.2: A 70 CYS SG : rot -16:sc= 0.037 USER MOD Set 2.1: A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 65 CYS SG : rot 130:sc= -1.42 USER MOD Set 3.1: A 19 HIS : no HE2:sc= -4.21! C(o=-3.1!,f=-5.2!) USER MOD Set 3.2: A 82 TYR OH : rot 3:sc= 1.13 USER MOD Set 4.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 177:sc= -0.0241 (180deg=-0.0491) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -57:sc= 0.417 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -158:sc= -2 (180deg=-4.08) USER MOD Single : A 72 TYR OH : rot 21:sc= 1.22 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 134:sc= -0.549 (180deg=-3.59!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN :FLIP amide:sc= -0.209 F(o=-0.82,f=-0.21) USER MOD Single : A 88 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.00062) USER MOD Single : A 91 LYS NZ :NH3+ -170:sc= -0.197 (180deg=-0.301) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.061 -14.258 -1.070 1.00 0.00 N ATOM 2 CA GLY A 1 -12.351 -14.963 -1.300 1.00 0.00 C ATOM 3 C GLY A 1 -12.613 -15.229 -2.769 1.00 0.00 C ATOM 4 O GLY A 1 -13.539 -14.667 -3.354 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.929 -14.100 -0.051 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.279 -14.838 -1.435 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.073 -13.343 -1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.346 -15.909 -0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.166 -14.365 -0.891 1.00 0.00 H new ATOM 10 N SER A 2 -11.795 -16.088 -3.369 1.00 0.00 N ATOM 11 CA SER A 2 -11.943 -16.427 -4.780 1.00 0.00 C ATOM 12 C SER A 2 -11.873 -17.937 -4.987 1.00 0.00 C ATOM 13 O SER A 2 -12.706 -18.517 -5.683 1.00 0.00 O ATOM 14 CB SER A 2 -10.857 -15.737 -5.607 1.00 0.00 C ATOM 15 OG SER A 2 -10.745 -14.367 -5.263 1.00 0.00 O ATOM 0 H SER A 2 -11.023 -16.562 -2.900 1.00 0.00 H new ATOM 0 HA SER A 2 -12.921 -16.078 -5.112 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.901 -16.235 -5.445 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.089 -15.831 -6.668 1.00 0.00 H new ATOM 0 HG SER A 2 -10.043 -13.950 -5.805 1.00 0.00 H new ATOM 21 N SER A 3 -10.876 -18.568 -4.376 1.00 0.00 N ATOM 22 CA SER A 3 -10.698 -20.010 -4.493 1.00 0.00 C ATOM 23 C SER A 3 -10.262 -20.615 -3.162 1.00 0.00 C ATOM 24 O SER A 3 -9.151 -20.371 -2.693 1.00 0.00 O ATOM 25 CB SER A 3 -9.666 -20.332 -5.575 1.00 0.00 C ATOM 26 OG SER A 3 -10.289 -20.535 -6.832 1.00 0.00 O ATOM 0 H SER A 3 -10.179 -18.103 -3.795 1.00 0.00 H new ATOM 0 HA SER A 3 -11.656 -20.447 -4.773 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.947 -19.516 -5.650 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.107 -21.225 -5.294 1.00 0.00 H new ATOM 0 HG SER A 3 -9.607 -20.737 -7.506 1.00 0.00 H new ATOM 32 N GLY A 4 -11.145 -21.406 -2.561 1.00 0.00 N ATOM 33 CA GLY A 4 -10.832 -22.034 -1.290 1.00 0.00 C ATOM 34 C GLY A 4 -10.624 -21.022 -0.179 1.00 0.00 C ATOM 35 O GLY A 4 -11.578 -20.404 0.293 1.00 0.00 O ATOM 0 H GLY A 4 -12.071 -21.623 -2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.640 -22.711 -1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.932 -22.639 -1.399 1.00 0.00 H new ATOM 39 N SER A 5 -9.373 -20.856 0.238 1.00 0.00 N ATOM 40 CA SER A 5 -9.042 -19.913 1.301 1.00 0.00 C ATOM 41 C SER A 5 -8.675 -18.550 0.724 1.00 0.00 C ATOM 42 O SER A 5 -8.700 -18.352 -0.490 1.00 0.00 O ATOM 43 CB SER A 5 -7.886 -20.450 2.146 1.00 0.00 C ATOM 44 OG SER A 5 -8.223 -21.689 2.745 1.00 0.00 O ATOM 0 H SER A 5 -8.573 -21.361 -0.143 1.00 0.00 H new ATOM 0 HA SER A 5 -9.921 -19.795 1.934 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.002 -20.574 1.521 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.631 -19.726 2.920 1.00 0.00 H new ATOM 0 HG SER A 5 -7.466 -22.011 3.278 1.00 0.00 H new ATOM 50 N SER A 6 -8.335 -17.613 1.604 1.00 0.00 N ATOM 51 CA SER A 6 -7.963 -16.268 1.182 1.00 0.00 C ATOM 52 C SER A 6 -6.472 -16.025 1.393 1.00 0.00 C ATOM 53 O SER A 6 -5.913 -16.398 2.425 1.00 0.00 O ATOM 54 CB SER A 6 -8.776 -15.226 1.952 1.00 0.00 C ATOM 55 OG SER A 6 -10.063 -15.722 2.278 1.00 0.00 O ATOM 0 H SER A 6 -8.310 -17.761 2.613 1.00 0.00 H new ATOM 0 HA SER A 6 -8.181 -16.174 0.118 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.248 -14.950 2.864 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.873 -14.321 1.353 1.00 0.00 H new ATOM 0 HG SER A 6 -10.562 -15.038 2.771 1.00 0.00 H new ATOM 61 N GLY A 7 -5.835 -15.397 0.411 1.00 0.00 N ATOM 62 CA GLY A 7 -4.415 -15.114 0.509 1.00 0.00 C ATOM 63 C GLY A 7 -4.057 -13.749 -0.043 1.00 0.00 C ATOM 64 O GLY A 7 -4.697 -13.259 -0.971 1.00 0.00 O ATOM 0 H GLY A 7 -6.277 -15.079 -0.452 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.107 -15.173 1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.857 -15.879 -0.031 1.00 0.00 H new ATOM 68 N VAL A 8 -3.028 -13.132 0.532 1.00 0.00 N ATOM 69 CA VAL A 8 -2.585 -11.816 0.092 1.00 0.00 C ATOM 70 C VAL A 8 -1.550 -11.927 -1.023 1.00 0.00 C ATOM 71 O VAL A 8 -1.454 -11.051 -1.883 1.00 0.00 O ATOM 72 CB VAL A 8 -1.983 -11.007 1.256 1.00 0.00 C ATOM 73 CG1 VAL A 8 -1.713 -9.572 0.828 1.00 0.00 C ATOM 74 CG2 VAL A 8 -2.906 -11.045 2.466 1.00 0.00 C ATOM 0 H VAL A 8 -2.487 -13.523 1.303 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.466 -11.297 -0.284 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.033 -11.462 1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.288 -9.017 1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.011 -9.567 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.647 -9.103 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.464 -10.468 3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.872 -10.616 2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.043 -12.078 2.787 1.00 0.00 H new ATOM 84 N SER A 9 -0.777 -13.008 -1.001 1.00 0.00 N ATOM 85 CA SER A 9 0.250 -13.234 -2.010 1.00 0.00 C ATOM 86 C SER A 9 -0.362 -13.293 -3.406 1.00 0.00 C ATOM 87 O SER A 9 0.219 -12.796 -4.371 1.00 0.00 O ATOM 88 CB SER A 9 1.008 -14.530 -1.717 1.00 0.00 C ATOM 89 OG SER A 9 1.903 -14.363 -0.631 1.00 0.00 O ATOM 0 H SER A 9 -0.843 -13.741 -0.295 1.00 0.00 H new ATOM 0 HA SER A 9 0.948 -12.398 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.299 -15.326 -1.489 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.561 -14.840 -2.604 1.00 0.00 H new ATOM 0 HG SER A 9 2.374 -15.206 -0.463 1.00 0.00 H new ATOM 95 N GLN A 10 -1.537 -13.904 -3.505 1.00 0.00 N ATOM 96 CA GLN A 10 -2.230 -14.029 -4.783 1.00 0.00 C ATOM 97 C GLN A 10 -2.525 -12.654 -5.376 1.00 0.00 C ATOM 98 O GLN A 10 -2.555 -12.486 -6.596 1.00 0.00 O ATOM 99 CB GLN A 10 -3.531 -14.815 -4.606 1.00 0.00 C ATOM 100 CG GLN A 10 -3.666 -15.989 -5.563 1.00 0.00 C ATOM 101 CD GLN A 10 -4.625 -17.048 -5.054 1.00 0.00 C ATOM 102 OE1 GLN A 10 -5.686 -16.733 -4.516 1.00 0.00 O ATOM 103 NE2 GLN A 10 -4.254 -18.311 -5.222 1.00 0.00 N ATOM 0 H GLN A 10 -2.030 -14.321 -2.716 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.581 -14.569 -5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.587 -15.183 -3.582 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.376 -14.141 -4.749 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.011 -15.626 -6.531 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.686 -16.438 -5.722 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.365 -18.526 -5.674 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.858 -19.067 -4.899 1.00 0.00 H new ATOM 112 N ARG A 11 -2.742 -11.674 -4.505 1.00 0.00 N ATOM 113 CA ARG A 11 -3.034 -10.313 -4.940 1.00 0.00 C ATOM 114 C ARG A 11 -1.777 -9.633 -5.478 1.00 0.00 C ATOM 115 O ARG A 11 -0.660 -9.989 -5.101 1.00 0.00 O ATOM 116 CB ARG A 11 -3.612 -9.500 -3.781 1.00 0.00 C ATOM 117 CG ARG A 11 -4.730 -10.211 -3.036 1.00 0.00 C ATOM 118 CD ARG A 11 -6.082 -9.954 -3.680 1.00 0.00 C ATOM 119 NE ARG A 11 -7.187 -10.376 -2.822 1.00 0.00 N ATOM 120 CZ ARG A 11 -8.463 -10.361 -3.198 1.00 0.00 C ATOM 121 NH1 ARG A 11 -8.801 -9.948 -4.414 1.00 0.00 N ATOM 122 NH2 ARG A 11 -9.407 -10.761 -2.356 1.00 0.00 N ATOM 0 H ARG A 11 -2.721 -11.797 -3.493 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.770 -10.363 -5.743 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.812 -9.264 -3.079 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.989 -8.552 -4.165 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.532 -11.283 -3.019 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.750 -9.874 -2.000 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.181 -8.892 -3.902 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.138 -10.485 -4.630 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.967 -10.701 -1.880 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.080 -9.640 -5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.781 -9.939 -4.695 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.154 -11.080 -1.421 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.385 -10.750 -2.644 1.00 0.00 H new ATOM 136 N PRO A 12 -1.942 -8.641 -6.369 1.00 0.00 N ATOM 137 CA PRO A 12 -0.813 -7.910 -6.956 1.00 0.00 C ATOM 138 C PRO A 12 0.032 -7.208 -5.899 1.00 0.00 C ATOM 139 O PRO A 12 -0.204 -7.358 -4.701 1.00 0.00 O ATOM 140 CB PRO A 12 -1.479 -6.884 -7.882 1.00 0.00 C ATOM 141 CG PRO A 12 -2.891 -6.792 -7.412 1.00 0.00 C ATOM 142 CD PRO A 12 -3.234 -8.150 -6.872 1.00 0.00 C ATOM 0 HA PRO A 12 -0.126 -8.578 -7.475 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.980 -5.917 -7.822 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.430 -7.203 -8.923 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.998 -6.027 -6.643 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.558 -6.517 -8.229 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.980 -8.093 -6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.640 -8.802 -7.646 1.00 0.00 H new ATOM 150 N PHE A 13 1.018 -6.439 -6.351 1.00 0.00 N ATOM 151 CA PHE A 13 1.900 -5.715 -5.443 1.00 0.00 C ATOM 152 C PHE A 13 1.348 -4.326 -5.137 1.00 0.00 C ATOM 153 O PHE A 13 1.420 -3.856 -4.002 1.00 0.00 O ATOM 154 CB PHE A 13 3.300 -5.598 -6.048 1.00 0.00 C ATOM 155 CG PHE A 13 4.312 -5.004 -5.110 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.808 -5.740 -4.047 1.00 0.00 C ATOM 157 CD2 PHE A 13 4.767 -3.707 -5.291 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.740 -5.196 -3.182 1.00 0.00 C ATOM 159 CE2 PHE A 13 5.698 -3.157 -4.430 1.00 0.00 C ATOM 160 CZ PHE A 13 6.185 -3.903 -3.375 1.00 0.00 C ATOM 0 H PHE A 13 1.226 -6.301 -7.340 1.00 0.00 H new ATOM 0 HA PHE A 13 1.959 -6.275 -4.510 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.638 -6.588 -6.355 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.248 -4.986 -6.948 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.463 -6.751 -3.892 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.389 -3.119 -6.115 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.119 -5.781 -2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.044 -2.145 -4.582 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.913 -3.476 -2.701 1.00 0.00 H new ATOM 170 N ARG A 14 0.798 -3.675 -6.156 1.00 0.00 N ATOM 171 CA ARG A 14 0.235 -2.339 -5.994 1.00 0.00 C ATOM 172 C ARG A 14 -0.888 -2.342 -4.963 1.00 0.00 C ATOM 173 O ARG A 14 -1.082 -1.366 -4.239 1.00 0.00 O ATOM 174 CB ARG A 14 -0.286 -1.816 -7.334 1.00 0.00 C ATOM 175 CG ARG A 14 -0.068 -0.325 -7.530 1.00 0.00 C ATOM 176 CD ARG A 14 0.397 -0.009 -8.943 1.00 0.00 C ATOM 177 NE ARG A 14 1.055 1.293 -9.026 1.00 0.00 N ATOM 178 CZ ARG A 14 0.403 2.454 -9.020 1.00 0.00 C ATOM 179 NH1 ARG A 14 -0.921 2.480 -8.937 1.00 0.00 N ATOM 180 NH2 ARG A 14 1.078 3.593 -9.098 1.00 0.00 N ATOM 0 H ARG A 14 0.730 -4.050 -7.102 1.00 0.00 H new ATOM 0 HA ARG A 14 1.027 -1.679 -5.638 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.207 -2.356 -8.142 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.352 -2.032 -7.410 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.995 0.209 -7.323 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.672 0.032 -6.814 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.085 -0.785 -9.280 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.458 -0.026 -9.618 1.00 0.00 H new ATOM 0 HE ARG A 14 2.073 1.314 -9.092 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.445 1.607 -8.877 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.414 3.373 -8.933 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.096 3.579 -9.163 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.579 4.483 -9.093 1.00 0.00 H new ATOM 194 N ASP A 15 -1.629 -3.444 -4.902 1.00 0.00 N ATOM 195 CA ASP A 15 -2.733 -3.572 -3.960 1.00 0.00 C ATOM 196 C ASP A 15 -2.220 -3.868 -2.555 1.00 0.00 C ATOM 197 O ASP A 15 -2.807 -3.435 -1.564 1.00 0.00 O ATOM 198 CB ASP A 15 -3.689 -4.679 -4.409 1.00 0.00 C ATOM 199 CG ASP A 15 -4.563 -4.251 -5.571 1.00 0.00 C ATOM 200 OD1 ASP A 15 -4.807 -3.035 -5.715 1.00 0.00 O ATOM 201 OD2 ASP A 15 -5.004 -5.133 -6.338 1.00 0.00 O ATOM 0 H ASP A 15 -1.484 -4.261 -5.495 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.270 -2.623 -3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.113 -5.559 -4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.321 -4.972 -3.571 1.00 0.00 H new ATOM 206 N ARG A 16 -1.120 -4.610 -2.476 1.00 0.00 N ATOM 207 CA ARG A 16 -0.527 -4.966 -1.192 1.00 0.00 C ATOM 208 C ARG A 16 -0.099 -3.719 -0.424 1.00 0.00 C ATOM 209 O ARG A 16 -0.200 -3.668 0.801 1.00 0.00 O ATOM 210 CB ARG A 16 0.674 -5.888 -1.400 1.00 0.00 C ATOM 211 CG ARG A 16 0.312 -7.365 -1.411 1.00 0.00 C ATOM 212 CD ARG A 16 1.321 -8.180 -2.204 1.00 0.00 C ATOM 213 NE ARG A 16 2.296 -8.838 -1.339 1.00 0.00 N ATOM 214 CZ ARG A 16 3.398 -9.436 -1.784 1.00 0.00 C ATOM 215 NH1 ARG A 16 3.669 -9.463 -3.083 1.00 0.00 N ATOM 216 NH2 ARG A 16 4.234 -10.010 -0.928 1.00 0.00 N ATOM 0 H ARG A 16 -0.621 -4.977 -3.287 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.281 -5.490 -0.605 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.158 -5.634 -2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.402 -5.707 -0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.266 -7.737 -0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.681 -7.494 -1.842 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.796 -8.931 -2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.841 -7.528 -2.906 1.00 0.00 H new ATOM 0 HE ARG A 16 2.122 -8.839 -0.334 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.031 -9.024 -3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.516 -9.923 -3.418 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.032 -9.993 0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.079 -10.468 -1.270 1.00 0.00 H new ATOM 230 N VAL A 17 0.379 -2.715 -1.154 1.00 0.00 N ATOM 231 CA VAL A 17 0.822 -1.470 -0.540 1.00 0.00 C ATOM 232 C VAL A 17 -0.303 -0.440 -0.511 1.00 0.00 C ATOM 233 O VAL A 17 -0.369 0.396 0.390 1.00 0.00 O ATOM 234 CB VAL A 17 2.028 -0.873 -1.290 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.597 0.315 -0.528 1.00 0.00 C ATOM 236 CG2 VAL A 17 3.095 -1.933 -1.513 1.00 0.00 C ATOM 0 H VAL A 17 0.469 -2.740 -2.170 1.00 0.00 H new ATOM 0 HA VAL A 17 1.119 -1.709 0.481 1.00 0.00 H new ATOM 0 HB VAL A 17 1.689 -0.521 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.448 0.723 -1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.830 1.083 -0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.921 -0.009 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.939 -1.493 -2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.432 -2.318 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.679 -2.749 -2.104 1.00 0.00 H new ATOM 246 N LEU A 18 -1.186 -0.507 -1.502 1.00 0.00 N ATOM 247 CA LEU A 18 -2.308 0.420 -1.589 1.00 0.00 C ATOM 248 C LEU A 18 -3.247 0.255 -0.398 1.00 0.00 C ATOM 249 O LEU A 18 -3.895 1.209 0.030 1.00 0.00 O ATOM 250 CB LEU A 18 -3.077 0.200 -2.893 1.00 0.00 C ATOM 251 CG LEU A 18 -4.303 1.096 -3.082 1.00 0.00 C ATOM 252 CD1 LEU A 18 -3.879 2.538 -3.312 1.00 0.00 C ATOM 253 CD2 LEU A 18 -5.154 0.596 -4.238 1.00 0.00 C ATOM 0 H LEU A 18 -1.146 -1.193 -2.256 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.910 1.434 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.397 0.360 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.397 -0.841 -2.937 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.903 1.057 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.764 3.161 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.312 2.892 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.257 2.596 -4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.022 1.245 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.564 0.605 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.487 -0.421 -4.031 1.00 0.00 H new ATOM 265 N HIS A 19 -3.317 -0.963 0.132 1.00 0.00 N ATOM 266 CA HIS A 19 -4.178 -1.251 1.274 1.00 0.00 C ATOM 267 C HIS A 19 -3.473 -0.922 2.586 1.00 0.00 C ATOM 268 O HIS A 19 -4.100 -0.451 3.535 1.00 0.00 O ATOM 269 CB HIS A 19 -4.599 -2.721 1.262 1.00 0.00 C ATOM 270 CG HIS A 19 -5.829 -2.985 0.450 1.00 0.00 C ATOM 271 ND1 HIS A 19 -5.815 -3.563 -0.800 1.00 0.00 N ATOM 272 CD2 HIS A 19 -7.133 -2.737 0.733 1.00 0.00 C ATOM 273 CE1 HIS A 19 -7.082 -3.646 -1.229 1.00 0.00 C ATOM 274 NE2 HIS A 19 -7.921 -3.159 -0.335 1.00 0.00 N ATOM 0 H HIS A 19 -2.788 -1.765 -0.211 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.066 -0.624 1.195 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.779 -3.322 0.870 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -4.773 -3.049 2.287 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -4.987 -3.873 -1.309 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.501 -2.284 1.642 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.378 -4.058 -2.183 1.00 0.00 H new ATOM 282 N LEU A 20 -2.170 -1.173 2.632 1.00 0.00 N ATOM 283 CA LEU A 20 -1.381 -0.904 3.829 1.00 0.00 C ATOM 284 C LEU A 20 -1.441 0.574 4.201 1.00 0.00 C ATOM 285 O LEU A 20 -1.760 0.927 5.336 1.00 0.00 O ATOM 286 CB LEU A 20 0.072 -1.329 3.614 1.00 0.00 C ATOM 287 CG LEU A 20 0.371 -2.795 3.931 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.583 -3.275 3.147 1.00 0.00 C ATOM 289 CD2 LEU A 20 0.594 -2.983 5.425 1.00 0.00 C ATOM 0 H LEU A 20 -1.637 -1.562 1.854 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.804 -1.483 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.341 -1.135 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.714 -0.701 4.232 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.490 -3.393 3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.780 -4.320 3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.388 -3.177 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.451 -2.672 3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.805 -4.032 5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.438 -2.372 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.301 -2.679 5.968 1.00 0.00 H new ATOM 301 N LEU A 21 -1.132 1.434 3.236 1.00 0.00 N ATOM 302 CA LEU A 21 -1.150 2.875 3.462 1.00 0.00 C ATOM 303 C LEU A 21 -2.578 3.385 3.634 1.00 0.00 C ATOM 304 O LEU A 21 -2.807 4.412 4.274 1.00 0.00 O ATOM 305 CB LEU A 21 -0.475 3.603 2.296 1.00 0.00 C ATOM 306 CG LEU A 21 0.987 3.225 2.058 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.391 3.533 0.624 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.892 3.957 3.037 1.00 0.00 C ATOM 0 H LEU A 21 -0.866 1.158 2.291 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.599 3.079 4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.040 3.401 1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.532 4.677 2.475 1.00 0.00 H new ATOM 0 HG LEU A 21 1.097 2.153 2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.435 3.258 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.763 2.964 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.265 4.598 0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.929 3.676 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.778 5.033 2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.618 3.687 4.057 1.00 0.00 H new ATOM 320 N ALA A 22 -3.537 2.662 3.062 1.00 0.00 N ATOM 321 CA ALA A 22 -4.942 3.044 3.154 1.00 0.00 C ATOM 322 C ALA A 22 -5.378 3.200 4.608 1.00 0.00 C ATOM 323 O ALA A 22 -6.140 4.106 4.943 1.00 0.00 O ATOM 324 CB ALA A 22 -5.814 2.017 2.449 1.00 0.00 C ATOM 0 H ALA A 22 -3.366 1.809 2.530 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.062 4.009 2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.860 2.314 2.525 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.529 1.958 1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.679 1.042 2.917 1.00 0.00 H new ATOM 330 N LEU A 23 -4.890 2.311 5.467 1.00 0.00 N ATOM 331 CA LEU A 23 -5.230 2.351 6.884 1.00 0.00 C ATOM 332 C LEU A 23 -4.606 3.569 7.558 1.00 0.00 C ATOM 333 O LEU A 23 -5.303 4.521 7.911 1.00 0.00 O ATOM 334 CB LEU A 23 -4.761 1.071 7.579 1.00 0.00 C ATOM 335 CG LEU A 23 -5.531 -0.193 7.197 1.00 0.00 C ATOM 336 CD1 LEU A 23 -4.914 -1.415 7.861 1.00 0.00 C ATOM 337 CD2 LEU A 23 -6.997 -0.059 7.580 1.00 0.00 C ATOM 0 H LEU A 23 -4.258 1.554 5.206 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.314 2.426 6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.706 0.918 7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.837 1.212 8.657 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.468 -0.322 6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.475 -2.305 7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.878 -1.521 7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.946 -1.296 8.944 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.530 -0.968 7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.079 0.094 8.656 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.433 0.793 7.058 1.00 0.00 H new ATOM 349 N ARG A 24 -3.289 3.531 7.733 1.00 0.00 N ATOM 350 CA ARG A 24 -2.571 4.632 8.364 1.00 0.00 C ATOM 351 C ARG A 24 -1.217 4.854 7.693 1.00 0.00 C ATOM 352 O ARG A 24 -0.696 3.965 7.020 1.00 0.00 O ATOM 353 CB ARG A 24 -2.376 4.354 9.856 1.00 0.00 C ATOM 354 CG ARG A 24 -1.637 3.054 10.141 1.00 0.00 C ATOM 355 CD ARG A 24 -2.344 2.225 11.203 1.00 0.00 C ATOM 356 NE ARG A 24 -1.454 1.878 12.309 1.00 0.00 N ATOM 357 CZ ARG A 24 -1.143 2.711 13.300 1.00 0.00 C ATOM 358 NH1 ARG A 24 -1.645 3.939 13.327 1.00 0.00 N ATOM 359 NH2 ARG A 24 -0.328 2.313 14.267 1.00 0.00 N ATOM 0 H ARG A 24 -2.698 2.750 7.447 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.167 5.537 8.246 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.824 5.181 10.302 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.351 4.322 10.342 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.554 2.474 9.222 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.622 3.277 10.470 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.199 2.781 11.587 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.733 1.313 10.751 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.047 0.943 12.323 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.273 4.250 12.586 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.403 4.572 14.089 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.060 1.370 14.251 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.089 2.950 15.027 1.00 0.00 H new ATOM 373 N PRO A 25 -0.628 6.050 7.869 1.00 0.00 N ATOM 374 CA PRO A 25 0.671 6.384 7.277 1.00 0.00 C ATOM 375 C PRO A 25 1.737 5.339 7.588 1.00 0.00 C ATOM 376 O PRO A 25 2.022 5.057 8.752 1.00 0.00 O ATOM 377 CB PRO A 25 1.027 7.722 7.930 1.00 0.00 C ATOM 378 CG PRO A 25 -0.285 8.321 8.304 1.00 0.00 C ATOM 379 CD PRO A 25 -1.182 7.167 8.657 1.00 0.00 C ATOM 0 HA PRO A 25 0.623 6.425 6.189 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.661 7.579 8.805 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.574 8.366 7.241 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.176 9.003 9.147 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.700 8.899 7.478 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.161 6.954 9.726 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.220 7.369 8.393 1.00 0.00 H new ATOM 387 N TYR A 26 2.323 4.768 6.541 1.00 0.00 N ATOM 388 CA TYR A 26 3.358 3.754 6.703 1.00 0.00 C ATOM 389 C TYR A 26 4.687 4.235 6.130 1.00 0.00 C ATOM 390 O TYR A 26 4.744 4.739 5.008 1.00 0.00 O ATOM 391 CB TYR A 26 2.936 2.451 6.019 1.00 0.00 C ATOM 392 CG TYR A 26 2.222 1.487 6.940 1.00 0.00 C ATOM 393 CD1 TYR A 26 2.927 0.746 7.882 1.00 0.00 C ATOM 394 CD2 TYR A 26 0.845 1.318 6.870 1.00 0.00 C ATOM 395 CE1 TYR A 26 2.280 -0.135 8.725 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.191 0.438 7.710 1.00 0.00 C ATOM 397 CZ TYR A 26 0.912 -0.286 8.636 1.00 0.00 C ATOM 398 OH TYR A 26 0.263 -1.164 9.474 1.00 0.00 O ATOM 0 H TYR A 26 2.099 4.990 5.571 1.00 0.00 H new ATOM 0 HA TYR A 26 3.488 3.571 7.770 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.284 2.687 5.178 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.820 1.962 5.610 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.998 0.862 7.955 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.276 1.884 6.147 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.842 -0.703 9.451 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.880 0.318 7.642 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.698 -1.150 9.282 1.00 0.00 H new ATOM 408 N ARG A 27 5.753 4.077 6.907 1.00 0.00 N ATOM 409 CA ARG A 27 7.082 4.496 6.477 1.00 0.00 C ATOM 410 C ARG A 27 7.691 3.474 5.523 1.00 0.00 C ATOM 411 O ARG A 27 7.139 2.392 5.322 1.00 0.00 O ATOM 412 CB ARG A 27 7.997 4.688 7.689 1.00 0.00 C ATOM 413 CG ARG A 27 7.336 5.432 8.839 1.00 0.00 C ATOM 414 CD ARG A 27 7.008 4.498 9.993 1.00 0.00 C ATOM 415 NE ARG A 27 8.210 4.035 10.683 1.00 0.00 N ATOM 416 CZ ARG A 27 8.876 4.758 11.580 1.00 0.00 C ATOM 417 NH1 ARG A 27 8.463 5.979 11.898 1.00 0.00 N ATOM 418 NH2 ARG A 27 9.958 4.259 12.162 1.00 0.00 N ATOM 0 H ARG A 27 5.723 3.662 7.838 1.00 0.00 H new ATOM 0 HA ARG A 27 6.984 5.446 5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.328 3.711 8.042 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.888 5.234 7.378 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.997 6.225 9.188 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.422 5.911 8.486 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.359 5.012 10.702 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.452 3.639 9.617 1.00 0.00 H new ATOM 0 HE ARG A 27 8.559 3.102 10.464 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.631 6.368 11.454 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.978 6.528 12.586 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.280 3.321 11.922 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.469 4.813 12.850 1.00 0.00 H new ATOM 432 N LYS A 28 8.832 3.824 4.938 1.00 0.00 N ATOM 433 CA LYS A 28 9.517 2.936 4.005 1.00 0.00 C ATOM 434 C LYS A 28 10.015 1.682 4.715 1.00 0.00 C ATOM 435 O LYS A 28 9.826 0.566 4.230 1.00 0.00 O ATOM 436 CB LYS A 28 10.689 3.664 3.344 1.00 0.00 C ATOM 437 CG LYS A 28 10.339 4.288 2.004 1.00 0.00 C ATOM 438 CD LYS A 28 10.466 3.282 0.871 1.00 0.00 C ATOM 439 CE LYS A 28 11.922 2.992 0.543 1.00 0.00 C ATOM 440 NZ LYS A 28 12.088 1.669 -0.121 1.00 0.00 N ATOM 0 H LYS A 28 9.302 4.716 5.093 1.00 0.00 H new ATOM 0 HA LYS A 28 8.805 2.637 3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.047 4.444 4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.510 2.961 3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.320 4.675 2.036 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.996 5.137 1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.963 2.355 1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.962 3.666 -0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.311 3.776 -0.107 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.512 3.015 1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.087 1.531 -0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.788 0.914 0.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.505 1.637 -0.982 1.00 0.00 H new ATOM 454 N ALA A 29 10.650 1.872 5.866 1.00 0.00 N ATOM 455 CA ALA A 29 11.176 0.756 6.643 1.00 0.00 C ATOM 456 C ALA A 29 10.047 -0.057 7.268 1.00 0.00 C ATOM 457 O ALA A 29 10.072 -1.287 7.252 1.00 0.00 O ATOM 458 CB ALA A 29 12.123 1.262 7.720 1.00 0.00 C ATOM 0 H ALA A 29 10.813 2.789 6.282 1.00 0.00 H new ATOM 0 HA ALA A 29 11.728 0.103 5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.508 0.418 8.292 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.953 1.793 7.254 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.588 1.938 8.387 1.00 0.00 H new ATOM 464 N GLU A 30 9.058 0.639 7.817 1.00 0.00 N ATOM 465 CA GLU A 30 7.919 -0.019 8.448 1.00 0.00 C ATOM 466 C GLU A 30 7.124 -0.826 7.426 1.00 0.00 C ATOM 467 O GLU A 30 6.743 -1.968 7.683 1.00 0.00 O ATOM 468 CB GLU A 30 7.013 1.017 9.119 1.00 0.00 C ATOM 469 CG GLU A 30 7.044 0.959 10.637 1.00 0.00 C ATOM 470 CD GLU A 30 5.992 1.843 11.277 1.00 0.00 C ATOM 471 OE1 GLU A 30 4.791 1.623 11.013 1.00 0.00 O ATOM 472 OE2 GLU A 30 6.368 2.757 12.041 1.00 0.00 O ATOM 0 H GLU A 30 9.021 1.658 7.838 1.00 0.00 H new ATOM 0 HA GLU A 30 8.298 -0.703 9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.313 2.014 8.796 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.989 0.866 8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.893 -0.071 10.960 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.030 1.262 10.988 1.00 0.00 H new ATOM 479 N LEU A 31 6.877 -0.225 6.267 1.00 0.00 N ATOM 480 CA LEU A 31 6.129 -0.889 5.206 1.00 0.00 C ATOM 481 C LEU A 31 6.937 -2.034 4.604 1.00 0.00 C ATOM 482 O LEU A 31 6.380 -3.053 4.197 1.00 0.00 O ATOM 483 CB LEU A 31 5.753 0.114 4.114 1.00 0.00 C ATOM 484 CG LEU A 31 4.802 -0.421 3.042 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.371 -0.436 3.559 1.00 0.00 C ATOM 486 CD2 LEU A 31 4.904 0.414 1.775 1.00 0.00 C ATOM 0 H LEU A 31 7.184 0.721 6.039 1.00 0.00 H new ATOM 0 HA LEU A 31 5.218 -1.301 5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.294 0.984 4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.666 0.459 3.629 1.00 0.00 H new ATOM 0 HG LEU A 31 5.092 -1.444 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.708 -0.819 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.309 -1.076 4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.070 0.577 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.221 0.019 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.640 1.448 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.925 0.374 1.394 1.00 0.00 H new ATOM 498 N LEU A 32 8.254 -1.857 4.550 1.00 0.00 N ATOM 499 CA LEU A 32 9.139 -2.876 3.998 1.00 0.00 C ATOM 500 C LEU A 32 9.057 -4.165 4.809 1.00 0.00 C ATOM 501 O LEU A 32 8.893 -5.250 4.251 1.00 0.00 O ATOM 502 CB LEU A 32 10.582 -2.367 3.971 1.00 0.00 C ATOM 503 CG LEU A 32 10.976 -1.604 2.706 1.00 0.00 C ATOM 504 CD1 LEU A 32 12.333 -0.940 2.884 1.00 0.00 C ATOM 505 CD2 LEU A 32 10.991 -2.537 1.505 1.00 0.00 C ATOM 0 H LEU A 32 8.731 -1.018 4.881 1.00 0.00 H new ATOM 0 HA LEU A 32 8.817 -3.089 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.738 -1.717 4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.253 -3.218 4.088 1.00 0.00 H new ATOM 0 HG LEU A 32 10.234 -0.826 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.597 -0.402 1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.289 -0.241 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.087 -1.701 3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.273 -1.978 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.712 -3.337 1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.999 -2.966 1.365 1.00 0.00 H new ATOM 517 N LEU A 33 9.172 -4.038 6.126 1.00 0.00 N ATOM 518 CA LEU A 33 9.113 -5.194 7.014 1.00 0.00 C ATOM 519 C LEU A 33 7.742 -5.861 6.947 1.00 0.00 C ATOM 520 O LEU A 33 7.629 -7.080 7.069 1.00 0.00 O ATOM 521 CB LEU A 33 9.417 -4.772 8.453 1.00 0.00 C ATOM 522 CG LEU A 33 10.869 -4.370 8.716 1.00 0.00 C ATOM 523 CD1 LEU A 33 10.935 -3.258 9.752 1.00 0.00 C ATOM 524 CD2 LEU A 33 11.681 -5.573 9.170 1.00 0.00 C ATOM 0 H LEU A 33 9.307 -3.146 6.603 1.00 0.00 H new ATOM 0 HA LEU A 33 9.864 -5.913 6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.771 -3.934 8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.157 -5.594 9.119 1.00 0.00 H new ATOM 0 HG LEU A 33 11.298 -3.998 7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.976 -2.985 9.927 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.388 -2.389 9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.489 -3.603 10.685 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.712 -5.268 9.353 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.253 -5.975 10.088 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.661 -6.339 8.395 1.00 0.00 H new ATOM 536 N ARG A 34 6.705 -5.054 6.751 1.00 0.00 N ATOM 537 CA ARG A 34 5.342 -5.567 6.668 1.00 0.00 C ATOM 538 C ARG A 34 5.172 -6.460 5.443 1.00 0.00 C ATOM 539 O ARG A 34 4.629 -7.561 5.536 1.00 0.00 O ATOM 540 CB ARG A 34 4.341 -4.410 6.618 1.00 0.00 C ATOM 541 CG ARG A 34 3.175 -4.573 7.579 1.00 0.00 C ATOM 542 CD ARG A 34 2.442 -5.884 7.349 1.00 0.00 C ATOM 543 NE ARG A 34 0.999 -5.742 7.524 1.00 0.00 N ATOM 544 CZ ARG A 34 0.116 -6.685 7.196 1.00 0.00 C ATOM 545 NH1 ARG A 34 0.525 -7.836 6.678 1.00 0.00 N ATOM 546 NH2 ARG A 34 -1.179 -6.474 7.388 1.00 0.00 N ATOM 0 H ARG A 34 6.782 -4.042 6.647 1.00 0.00 H new ATOM 0 HA ARG A 34 5.149 -6.164 7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.862 -3.480 6.846 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.954 -4.318 5.603 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.540 -4.534 8.605 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.482 -3.741 7.456 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.651 -6.245 6.342 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.819 -6.636 8.042 1.00 0.00 H new ATOM 0 HE ARG A 34 0.647 -4.871 7.920 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.520 -8.003 6.529 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.156 -8.554 6.429 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.498 -5.591 7.786 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.856 -7.195 7.137 1.00 0.00 H new ATOM 560 N LEU A 35 5.637 -5.978 4.296 1.00 0.00 N ATOM 561 CA LEU A 35 5.535 -6.732 3.052 1.00 0.00 C ATOM 562 C LEU A 35 6.474 -7.934 3.066 1.00 0.00 C ATOM 563 O LEU A 35 6.150 -8.994 2.531 1.00 0.00 O ATOM 564 CB LEU A 35 5.859 -5.832 1.857 1.00 0.00 C ATOM 565 CG LEU A 35 4.811 -4.761 1.550 1.00 0.00 C ATOM 566 CD1 LEU A 35 5.350 -3.760 0.540 1.00 0.00 C ATOM 567 CD2 LEU A 35 3.530 -5.401 1.039 1.00 0.00 C ATOM 0 H LEU A 35 6.088 -5.068 4.202 1.00 0.00 H new ATOM 0 HA LEU A 35 4.511 -7.094 2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.815 -5.341 2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.986 -6.458 0.974 1.00 0.00 H new ATOM 0 HG LEU A 35 4.584 -4.227 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.590 -3.006 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.240 -3.278 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.607 -4.278 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.795 -4.625 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.741 -5.961 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.134 -6.077 1.797 1.00 0.00 H new ATOM 579 N GLN A 36 7.640 -7.761 3.681 1.00 0.00 N ATOM 580 CA GLN A 36 8.626 -8.832 3.764 1.00 0.00 C ATOM 581 C GLN A 36 8.055 -10.044 4.495 1.00 0.00 C ATOM 582 O GLN A 36 8.448 -11.181 4.233 1.00 0.00 O ATOM 583 CB GLN A 36 9.887 -8.337 4.476 1.00 0.00 C ATOM 584 CG GLN A 36 11.176 -8.714 3.762 1.00 0.00 C ATOM 585 CD GLN A 36 12.379 -8.700 4.684 1.00 0.00 C ATOM 586 OE1 GLN A 36 12.452 -7.899 5.616 1.00 0.00 O ATOM 587 NE2 GLN A 36 13.331 -9.590 4.427 1.00 0.00 N ATOM 0 H GLN A 36 7.925 -6.890 4.129 1.00 0.00 H new ATOM 0 HA GLN A 36 8.885 -9.134 2.749 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.838 -7.252 4.572 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.908 -8.746 5.486 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.068 -9.707 3.326 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.346 -8.021 2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 36 13.228 -10.235 3.643 1.00 0.00 H new ATOM 0 HE22 GLN A 36 14.165 -9.629 5.013 1.00 0.00 H new ATOM 596 N LYS A 37 7.126 -9.793 5.412 1.00 0.00 N ATOM 597 CA LYS A 37 6.501 -10.865 6.180 1.00 0.00 C ATOM 598 C LYS A 37 5.805 -11.861 5.258 1.00 0.00 C ATOM 599 O LYS A 37 5.868 -13.071 5.475 1.00 0.00 O ATOM 600 CB LYS A 37 5.495 -10.287 7.177 1.00 0.00 C ATOM 601 CG LYS A 37 6.116 -9.892 8.508 1.00 0.00 C ATOM 602 CD LYS A 37 5.103 -9.219 9.418 1.00 0.00 C ATOM 603 CE LYS A 37 5.292 -9.634 10.868 1.00 0.00 C ATOM 604 NZ LYS A 37 5.035 -8.507 11.807 1.00 0.00 N ATOM 0 H LYS A 37 6.789 -8.858 5.641 1.00 0.00 H new ATOM 0 HA LYS A 37 7.284 -11.390 6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.018 -9.412 6.734 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.710 -11.022 7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.517 -10.778 9.001 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.954 -9.217 8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.199 -8.137 9.333 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.095 -9.476 9.094 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.619 -10.460 11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.308 -10.001 11.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.175 -8.831 12.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.694 -7.728 11.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.057 -8.173 11.689 1.00 0.00 H new ATOM 618 N ASP A 38 5.141 -11.344 4.229 1.00 0.00 N ATOM 619 CA ASP A 38 4.434 -12.188 3.274 1.00 0.00 C ATOM 620 C ASP A 38 5.346 -12.583 2.116 1.00 0.00 C ATOM 621 O ASP A 38 5.247 -13.689 1.583 1.00 0.00 O ATOM 622 CB ASP A 38 3.196 -11.465 2.740 1.00 0.00 C ATOM 623 CG ASP A 38 1.966 -11.721 3.588 1.00 0.00 C ATOM 624 OD1 ASP A 38 1.957 -12.722 4.335 1.00 0.00 O ATOM 625 OD2 ASP A 38 1.011 -10.922 3.504 1.00 0.00 O ATOM 0 H ASP A 38 5.078 -10.344 4.036 1.00 0.00 H new ATOM 0 HA ASP A 38 4.121 -13.095 3.792 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.392 -10.393 2.704 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.003 -11.789 1.717 1.00 0.00 H new ATOM 630 N GLY A 39 6.234 -11.671 1.733 1.00 0.00 N ATOM 631 CA GLY A 39 7.150 -11.943 0.641 1.00 0.00 C ATOM 632 C GLY A 39 7.615 -10.679 -0.054 1.00 0.00 C ATOM 633 O GLY A 39 6.817 -9.970 -0.666 1.00 0.00 O ATOM 0 H GLY A 39 6.335 -10.750 2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.016 -12.483 1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.663 -12.594 -0.084 1.00 0.00 H new ATOM 637 N LEU A 40 8.910 -10.395 0.040 1.00 0.00 N ATOM 638 CA LEU A 40 9.480 -9.207 -0.585 1.00 0.00 C ATOM 639 C LEU A 40 10.858 -9.507 -1.168 1.00 0.00 C ATOM 640 O LEU A 40 11.733 -10.032 -0.480 1.00 0.00 O ATOM 641 CB LEU A 40 9.581 -8.069 0.432 1.00 0.00 C ATOM 642 CG LEU A 40 10.158 -6.762 -0.114 1.00 0.00 C ATOM 643 CD1 LEU A 40 9.065 -5.925 -0.761 1.00 0.00 C ATOM 644 CD2 LEU A 40 10.845 -5.980 0.995 1.00 0.00 C ATOM 0 H LEU A 40 9.585 -10.971 0.543 1.00 0.00 H new ATOM 0 HA LEU A 40 8.820 -8.902 -1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.587 -7.870 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.200 -8.401 1.266 1.00 0.00 H new ATOM 0 HG LEU A 40 10.900 -7.004 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.494 -4.999 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.617 -6.484 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.299 -5.691 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.250 -5.053 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.123 -5.749 1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.655 -6.577 1.413 1.00 0.00 H new ATOM 656 N THR A 41 11.042 -9.170 -2.440 1.00 0.00 N ATOM 657 CA THR A 41 12.314 -9.403 -3.116 1.00 0.00 C ATOM 658 C THR A 41 12.995 -8.082 -3.463 1.00 0.00 C ATOM 659 O THR A 41 12.493 -7.008 -3.134 1.00 0.00 O ATOM 660 CB THR A 41 12.097 -10.226 -4.386 1.00 0.00 C ATOM 661 OG1 THR A 41 11.469 -9.448 -5.389 1.00 0.00 O ATOM 662 CG2 THR A 41 11.248 -11.459 -4.162 1.00 0.00 C ATOM 0 H THR A 41 10.327 -8.735 -3.024 1.00 0.00 H new ATOM 0 HA THR A 41 12.961 -9.958 -2.437 1.00 0.00 H new ATOM 0 HB THR A 41 13.093 -10.541 -4.698 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.617 -9.103 -5.050 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.133 -11.997 -5.103 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.732 -12.106 -3.430 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.267 -11.163 -3.791 1.00 0.00 H new ATOM 670 N GLN A 42 14.141 -8.171 -4.131 1.00 0.00 N ATOM 671 CA GLN A 42 14.890 -6.984 -4.523 1.00 0.00 C ATOM 672 C GLN A 42 14.097 -6.143 -5.519 1.00 0.00 C ATOM 673 O GLN A 42 14.168 -4.914 -5.505 1.00 0.00 O ATOM 674 CB GLN A 42 16.235 -7.383 -5.134 1.00 0.00 C ATOM 675 CG GLN A 42 17.309 -7.680 -4.099 1.00 0.00 C ATOM 676 CD GLN A 42 18.474 -6.712 -4.171 1.00 0.00 C ATOM 677 OE1 GLN A 42 19.613 -7.111 -4.413 1.00 0.00 O ATOM 678 NE2 GLN A 42 18.194 -5.432 -3.959 1.00 0.00 N ATOM 0 H GLN A 42 14.570 -9.053 -4.412 1.00 0.00 H new ATOM 0 HA GLN A 42 15.067 -6.386 -3.629 1.00 0.00 H new ATOM 0 HB2 GLN A 42 16.093 -8.263 -5.761 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.581 -6.580 -5.785 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.869 -7.639 -3.103 1.00 0.00 H new ATOM 0 HG3 GLN A 42 17.676 -8.696 -4.244 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.235 -5.146 -3.762 1.00 0.00 H new ATOM 0 HE22 GLN A 42 18.938 -4.735 -3.993 1.00 0.00 H new ATOM 687 N ALA A 43 13.341 -6.814 -6.381 1.00 0.00 N ATOM 688 CA ALA A 43 12.534 -6.129 -7.384 1.00 0.00 C ATOM 689 C ALA A 43 11.378 -5.375 -6.735 1.00 0.00 C ATOM 690 O ALA A 43 10.942 -4.338 -7.236 1.00 0.00 O ATOM 691 CB ALA A 43 12.012 -7.125 -8.410 1.00 0.00 C ATOM 0 H ALA A 43 13.270 -7.831 -6.405 1.00 0.00 H new ATOM 0 HA ALA A 43 13.167 -5.401 -7.892 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.411 -6.601 -9.153 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.852 -7.614 -8.902 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.398 -7.874 -7.910 1.00 0.00 H new ATOM 697 N ASP A 44 10.885 -5.904 -5.620 1.00 0.00 N ATOM 698 CA ASP A 44 9.778 -5.280 -4.903 1.00 0.00 C ATOM 699 C ASP A 44 10.280 -4.172 -3.983 1.00 0.00 C ATOM 700 O ASP A 44 9.598 -3.169 -3.773 1.00 0.00 O ATOM 701 CB ASP A 44 9.015 -6.328 -4.089 1.00 0.00 C ATOM 702 CG ASP A 44 8.494 -7.461 -4.951 1.00 0.00 C ATOM 703 OD1 ASP A 44 9.210 -7.873 -5.888 1.00 0.00 O ATOM 704 OD2 ASP A 44 7.368 -7.936 -4.690 1.00 0.00 O ATOM 0 H ASP A 44 11.234 -6.762 -5.193 1.00 0.00 H new ATOM 0 HA ASP A 44 9.105 -4.839 -5.638 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.670 -6.733 -3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.179 -5.850 -3.578 1.00 0.00 H new ATOM 709 N LYS A 45 11.477 -4.360 -3.438 1.00 0.00 N ATOM 710 CA LYS A 45 12.071 -3.376 -2.539 1.00 0.00 C ATOM 711 C LYS A 45 12.289 -2.048 -3.257 1.00 0.00 C ATOM 712 O LYS A 45 11.756 -1.016 -2.849 1.00 0.00 O ATOM 713 CB LYS A 45 13.398 -3.898 -1.984 1.00 0.00 C ATOM 714 CG LYS A 45 13.316 -4.347 -0.534 1.00 0.00 C ATOM 715 CD LYS A 45 14.640 -4.151 0.186 1.00 0.00 C ATOM 716 CE LYS A 45 14.945 -2.676 0.399 1.00 0.00 C ATOM 717 NZ LYS A 45 15.982 -2.469 1.447 1.00 0.00 N ATOM 0 H LYS A 45 12.055 -5.184 -3.603 1.00 0.00 H new ATOM 0 HA LYS A 45 11.382 -3.210 -1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.734 -4.735 -2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.152 -3.116 -2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.535 -3.785 -0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.031 -5.398 -0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.611 -4.660 1.149 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.442 -4.610 -0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.284 -2.236 -0.539 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.032 -2.154 0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.161 -1.451 1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.648 -2.866 2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.862 -2.945 1.164 1.00 0.00 H new ATOM 731 N ASP A 46 13.076 -2.081 -4.327 1.00 0.00 N ATOM 732 CA ASP A 46 13.366 -0.879 -5.100 1.00 0.00 C ATOM 733 C ASP A 46 12.093 -0.311 -5.720 1.00 0.00 C ATOM 734 O ASP A 46 11.851 0.895 -5.670 1.00 0.00 O ATOM 735 CB ASP A 46 14.387 -1.187 -6.197 1.00 0.00 C ATOM 736 CG ASP A 46 15.813 -0.947 -5.742 1.00 0.00 C ATOM 737 OD1 ASP A 46 16.282 -1.679 -4.845 1.00 0.00 O ATOM 738 OD2 ASP A 46 16.463 -0.027 -6.281 1.00 0.00 O ATOM 0 H ASP A 46 13.524 -2.927 -4.679 1.00 0.00 H new ATOM 0 HA ASP A 46 13.784 -0.134 -4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.278 -2.225 -6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 46 14.177 -0.568 -7.069 1.00 0.00 H new ATOM 743 N ALA A 47 11.283 -1.188 -6.304 1.00 0.00 N ATOM 744 CA ALA A 47 10.035 -0.774 -6.935 1.00 0.00 C ATOM 745 C ALA A 47 9.108 -0.100 -5.928 1.00 0.00 C ATOM 746 O ALA A 47 8.326 0.781 -6.283 1.00 0.00 O ATOM 747 CB ALA A 47 9.344 -1.971 -7.571 1.00 0.00 C ATOM 0 H ALA A 47 11.468 -2.190 -6.353 1.00 0.00 H new ATOM 0 HA ALA A 47 10.273 -0.049 -7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.414 -1.648 -8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.997 -2.409 -8.326 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.126 -2.715 -6.805 1.00 0.00 H new ATOM 753 N LEU A 48 9.204 -0.520 -4.670 1.00 0.00 N ATOM 754 CA LEU A 48 8.374 0.044 -3.611 1.00 0.00 C ATOM 755 C LEU A 48 8.673 1.527 -3.416 1.00 0.00 C ATOM 756 O LEU A 48 7.762 2.335 -3.233 1.00 0.00 O ATOM 757 CB LEU A 48 8.600 -0.712 -2.301 1.00 0.00 C ATOM 758 CG LEU A 48 7.721 -0.262 -1.133 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.331 -0.869 -1.247 1.00 0.00 C ATOM 760 CD2 LEU A 48 8.363 -0.640 0.193 1.00 0.00 C ATOM 0 H LEU A 48 9.847 -1.248 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 48 7.330 -0.060 -3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.427 -1.774 -2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.645 -0.603 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 48 7.625 0.823 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.719 -0.538 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.869 -0.548 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.407 -1.956 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.724 -0.312 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.489 -1.722 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.337 -0.157 0.276 1.00 0.00 H new ATOM 772 N ASP A 49 9.954 1.877 -3.456 1.00 0.00 N ATOM 773 CA ASP A 49 10.374 3.263 -3.283 1.00 0.00 C ATOM 774 C ASP A 49 9.746 4.160 -4.344 1.00 0.00 C ATOM 775 O ASP A 49 9.344 5.288 -4.060 1.00 0.00 O ATOM 776 CB ASP A 49 11.899 3.367 -3.348 1.00 0.00 C ATOM 777 CG ASP A 49 12.403 4.737 -2.938 1.00 0.00 C ATOM 778 OD1 ASP A 49 11.856 5.306 -1.970 1.00 0.00 O ATOM 779 OD2 ASP A 49 13.344 5.242 -3.586 1.00 0.00 O ATOM 0 H ASP A 49 10.720 1.220 -3.607 1.00 0.00 H new ATOM 0 HA ASP A 49 10.035 3.599 -2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.340 2.611 -2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.232 3.149 -4.363 1.00 0.00 H new ATOM 784 N GLY A 50 9.664 3.651 -5.569 1.00 0.00 N ATOM 785 CA GLY A 50 9.084 4.419 -6.654 1.00 0.00 C ATOM 786 C GLY A 50 7.569 4.380 -6.647 1.00 0.00 C ATOM 787 O GLY A 50 6.915 5.305 -7.128 1.00 0.00 O ATOM 0 H GLY A 50 9.989 2.720 -5.829 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.418 5.454 -6.581 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.450 4.032 -7.605 1.00 0.00 H new ATOM 791 N LEU A 51 7.008 3.305 -6.102 1.00 0.00 N ATOM 792 CA LEU A 51 5.560 3.149 -6.036 1.00 0.00 C ATOM 793 C LEU A 51 4.968 4.018 -4.929 1.00 0.00 C ATOM 794 O LEU A 51 3.906 4.616 -5.098 1.00 0.00 O ATOM 795 CB LEU A 51 5.195 1.680 -5.803 1.00 0.00 C ATOM 796 CG LEU A 51 4.053 1.153 -6.673 1.00 0.00 C ATOM 797 CD1 LEU A 51 4.599 0.534 -7.951 1.00 0.00 C ATOM 798 CD2 LEU A 51 3.220 0.140 -5.901 1.00 0.00 C ATOM 0 H LEU A 51 7.534 2.529 -5.700 1.00 0.00 H new ATOM 0 HA LEU A 51 5.140 3.473 -6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.080 1.069 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.924 1.550 -4.755 1.00 0.00 H new ATOM 0 HG LEU A 51 3.411 1.991 -6.945 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.773 0.164 -8.558 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.153 1.287 -8.512 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.263 -0.293 -7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.412 -0.225 -6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.851 -0.696 -5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.800 0.615 -5.014 1.00 0.00 H new ATOM 810 N LEU A 52 5.662 4.082 -3.797 1.00 0.00 N ATOM 811 CA LEU A 52 5.203 4.878 -2.664 1.00 0.00 C ATOM 812 C LEU A 52 5.087 6.349 -3.047 1.00 0.00 C ATOM 813 O LEU A 52 4.083 6.999 -2.756 1.00 0.00 O ATOM 814 CB LEU A 52 6.161 4.722 -1.482 1.00 0.00 C ATOM 815 CG LEU A 52 5.892 3.511 -0.586 1.00 0.00 C ATOM 816 CD1 LEU A 52 7.105 3.208 0.279 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.664 3.753 0.279 1.00 0.00 C ATOM 0 H LEU A 52 6.543 3.593 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 52 4.217 4.516 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.179 4.652 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.112 5.624 -0.872 1.00 0.00 H new ATOM 0 HG LEU A 52 5.700 2.646 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.896 2.344 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.962 2.992 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.328 4.070 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.486 2.882 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.828 4.629 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.797 3.921 -0.359 1.00 0.00 H new ATOM 829 N GLN A 53 6.118 6.868 -3.704 1.00 0.00 N ATOM 830 CA GLN A 53 6.130 8.262 -4.129 1.00 0.00 C ATOM 831 C GLN A 53 4.996 8.543 -5.113 1.00 0.00 C ATOM 832 O GLN A 53 4.549 9.682 -5.250 1.00 0.00 O ATOM 833 CB GLN A 53 7.474 8.611 -4.770 1.00 0.00 C ATOM 834 CG GLN A 53 8.661 8.408 -3.843 1.00 0.00 C ATOM 835 CD GLN A 53 9.049 9.675 -3.108 1.00 0.00 C ATOM 836 OE1 GLN A 53 10.073 10.291 -3.405 1.00 0.00 O ATOM 837 NE2 GLN A 53 8.230 10.072 -2.140 1.00 0.00 N ATOM 0 H GLN A 53 6.957 6.344 -3.954 1.00 0.00 H new ATOM 0 HA GLN A 53 5.983 8.885 -3.246 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.611 8.000 -5.662 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.452 9.651 -5.097 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.422 7.630 -3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.513 8.053 -4.422 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.392 9.531 -1.927 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.439 10.918 -1.610 1.00 0.00 H new ATOM 846 N GLN A 54 4.537 7.499 -5.796 1.00 0.00 N ATOM 847 CA GLN A 54 3.458 7.636 -6.767 1.00 0.00 C ATOM 848 C GLN A 54 2.096 7.472 -6.101 1.00 0.00 C ATOM 849 O GLN A 54 1.229 8.338 -6.217 1.00 0.00 O ATOM 850 CB GLN A 54 3.617 6.604 -7.885 1.00 0.00 C ATOM 851 CG GLN A 54 4.495 7.080 -9.031 1.00 0.00 C ATOM 852 CD GLN A 54 4.870 5.959 -9.982 1.00 0.00 C ATOM 853 OE1 GLN A 54 4.018 5.408 -10.677 1.00 0.00 O ATOM 854 NE2 GLN A 54 6.153 5.617 -10.016 1.00 0.00 N ATOM 0 H GLN A 54 4.895 6.549 -5.695 1.00 0.00 H new ATOM 0 HA GLN A 54 3.514 8.638 -7.192 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.042 5.691 -7.468 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.632 6.348 -8.275 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.973 7.861 -9.584 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.403 7.528 -8.627 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.826 6.101 -9.422 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.465 4.870 -10.636 1.00 0.00 H new ATOM 863 N VAL A 55 1.912 6.355 -5.403 1.00 0.00 N ATOM 864 CA VAL A 55 0.653 6.080 -4.720 1.00 0.00 C ATOM 865 C VAL A 55 0.722 6.476 -3.249 1.00 0.00 C ATOM 866 O VAL A 55 0.037 5.895 -2.407 1.00 0.00 O ATOM 867 CB VAL A 55 0.275 4.590 -4.820 1.00 0.00 C ATOM 868 CG1 VAL A 55 -0.007 4.205 -6.264 1.00 0.00 C ATOM 869 CG2 VAL A 55 1.375 3.720 -4.232 1.00 0.00 C ATOM 0 H VAL A 55 2.618 5.627 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.111 6.678 -5.217 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.634 4.425 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.272 3.149 -6.314 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.833 4.805 -6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.882 4.385 -6.869 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.091 2.671 -4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.303 3.887 -4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.521 3.978 -3.183 1.00 0.00 H new ATOM 879 N ALA A 56 1.553 7.468 -2.945 1.00 0.00 N ATOM 880 CA ALA A 56 1.708 7.940 -1.574 1.00 0.00 C ATOM 881 C ALA A 56 2.600 9.176 -1.519 1.00 0.00 C ATOM 882 O ALA A 56 3.336 9.465 -2.463 1.00 0.00 O ATOM 883 CB ALA A 56 2.276 6.833 -0.697 1.00 0.00 C ATOM 0 H ALA A 56 2.129 7.960 -3.629 1.00 0.00 H new ATOM 0 HA ALA A 56 0.724 8.218 -1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.387 7.198 0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.599 5.979 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.250 6.528 -1.081 1.00 0.00 H new ATOM 889 N ASN A 57 2.528 9.903 -0.408 1.00 0.00 N ATOM 890 CA ASN A 57 3.328 11.109 -0.230 1.00 0.00 C ATOM 891 C ASN A 57 4.282 10.959 0.951 1.00 0.00 C ATOM 892 O ASN A 57 3.867 10.614 2.057 1.00 0.00 O ATOM 893 CB ASN A 57 2.420 12.321 -0.017 1.00 0.00 C ATOM 894 CG ASN A 57 1.868 12.866 -1.320 1.00 0.00 C ATOM 895 OD1 ASN A 57 2.367 13.858 -1.853 1.00 0.00 O ATOM 896 ND2 ASN A 57 0.832 12.219 -1.841 1.00 0.00 N ATOM 0 H ASN A 57 1.924 9.678 0.382 1.00 0.00 H new ATOM 0 HA ASN A 57 3.918 11.261 -1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.593 12.042 0.636 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.979 13.105 0.494 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.418 12.540 -2.716 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.450 11.401 -1.366 1.00 0.00 H new ATOM 903 N MET A 58 5.561 11.224 0.708 1.00 0.00 N ATOM 904 CA MET A 58 6.574 11.119 1.752 1.00 0.00 C ATOM 905 C MET A 58 6.967 12.500 2.268 1.00 0.00 C ATOM 906 O MET A 58 7.023 13.466 1.508 1.00 0.00 O ATOM 907 CB MET A 58 7.810 10.390 1.222 1.00 0.00 C ATOM 908 CG MET A 58 8.905 10.214 2.261 1.00 0.00 C ATOM 909 SD MET A 58 10.494 9.780 1.530 1.00 0.00 S ATOM 910 CE MET A 58 10.327 8.001 1.388 1.00 0.00 C ATOM 0 H MET A 58 5.921 11.513 -0.202 1.00 0.00 H new ATOM 0 HA MET A 58 6.151 10.548 2.578 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.512 9.409 0.851 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.212 10.943 0.373 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.012 11.137 2.830 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.610 9.437 2.966 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.234 7.584 0.950 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.170 7.570 2.377 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.475 7.765 0.750 1.00 0.00 H new ATOM 920 N SER A 59 7.239 12.585 3.567 1.00 0.00 N ATOM 921 CA SER A 59 7.627 13.847 4.185 1.00 0.00 C ATOM 922 C SER A 59 9.145 13.975 4.256 1.00 0.00 C ATOM 923 O SER A 59 9.859 12.976 4.344 1.00 0.00 O ATOM 924 CB SER A 59 7.029 13.955 5.590 1.00 0.00 C ATOM 925 OG SER A 59 6.956 15.306 6.011 1.00 0.00 O ATOM 0 H SER A 59 7.198 11.795 4.211 1.00 0.00 H new ATOM 0 HA SER A 59 7.241 14.659 3.568 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.032 13.514 5.599 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.637 13.384 6.292 1.00 0.00 H new ATOM 0 HG SER A 59 6.569 15.348 6.910 1.00 0.00 H new ATOM 931 N ALA A 60 9.632 15.210 4.216 1.00 0.00 N ATOM 932 CA ALA A 60 11.065 15.468 4.275 1.00 0.00 C ATOM 933 C ALA A 60 11.497 15.847 5.689 1.00 0.00 C ATOM 934 O ALA A 60 12.448 16.605 5.876 1.00 0.00 O ATOM 935 CB ALA A 60 11.444 16.568 3.294 1.00 0.00 C ATOM 0 H ALA A 60 9.055 16.048 4.143 1.00 0.00 H new ATOM 0 HA ALA A 60 11.586 14.552 3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.517 16.750 3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.179 16.260 2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.907 17.482 3.547 1.00 0.00 H new ATOM 941 N LYS A 61 10.790 15.315 6.680 1.00 0.00 N ATOM 942 CA LYS A 61 11.100 15.596 8.077 1.00 0.00 C ATOM 943 C LYS A 61 10.735 14.411 8.964 1.00 0.00 C ATOM 944 O LYS A 61 11.524 13.989 9.810 1.00 0.00 O ATOM 945 CB LYS A 61 10.353 16.847 8.544 1.00 0.00 C ATOM 946 CG LYS A 61 11.132 18.135 8.338 1.00 0.00 C ATOM 947 CD LYS A 61 10.207 19.307 8.053 1.00 0.00 C ATOM 948 CE LYS A 61 10.779 20.221 6.982 1.00 0.00 C ATOM 949 NZ LYS A 61 11.815 21.139 7.529 1.00 0.00 N ATOM 0 H LYS A 61 9.998 14.687 6.542 1.00 0.00 H new ATOM 0 HA LYS A 61 12.173 15.770 8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.406 16.916 8.008 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.113 16.743 9.602 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.727 18.347 9.226 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.829 18.011 7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.234 18.934 7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.045 19.875 8.969 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.213 19.618 6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.974 20.806 6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.179 21.745 6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.395 21.733 8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.596 20.581 7.931 1.00 0.00 H new ATOM 963 N ASP A 62 9.534 13.877 8.765 1.00 0.00 N ATOM 964 CA ASP A 62 9.063 12.739 9.546 1.00 0.00 C ATOM 965 C ASP A 62 9.635 11.434 9.004 1.00 0.00 C ATOM 966 O ASP A 62 10.229 10.649 9.743 1.00 0.00 O ATOM 967 CB ASP A 62 7.535 12.683 9.536 1.00 0.00 C ATOM 968 CG ASP A 62 6.909 13.859 10.259 1.00 0.00 C ATOM 969 OD1 ASP A 62 7.181 15.012 9.864 1.00 0.00 O ATOM 970 OD2 ASP A 62 6.146 13.627 11.220 1.00 0.00 O ATOM 0 H ASP A 62 8.869 14.214 8.069 1.00 0.00 H new ATOM 0 HA ASP A 62 9.407 12.867 10.572 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.182 12.664 8.505 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.205 11.755 10.003 1.00 0.00 H new ATOM 975 N GLY A 63 9.451 11.207 7.707 1.00 0.00 N ATOM 976 CA GLY A 63 9.954 9.995 7.087 1.00 0.00 C ATOM 977 C GLY A 63 8.886 8.927 6.952 1.00 0.00 C ATOM 978 O GLY A 63 9.179 7.734 7.034 1.00 0.00 O ATOM 0 H GLY A 63 8.963 11.841 7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.352 10.233 6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.782 9.604 7.679 1.00 0.00 H new ATOM 982 N THR A 64 7.645 9.357 6.744 1.00 0.00 N ATOM 983 CA THR A 64 6.530 8.428 6.597 1.00 0.00 C ATOM 984 C THR A 64 5.757 8.706 5.313 1.00 0.00 C ATOM 985 O THR A 64 5.666 9.849 4.865 1.00 0.00 O ATOM 986 CB THR A 64 5.592 8.530 7.801 1.00 0.00 C ATOM 987 OG1 THR A 64 6.317 8.414 9.013 1.00 0.00 O ATOM 988 CG2 THR A 64 4.512 7.471 7.809 1.00 0.00 C ATOM 0 H THR A 64 7.387 10.341 6.674 1.00 0.00 H new ATOM 0 HA THR A 64 6.936 7.418 6.545 1.00 0.00 H new ATOM 0 HB THR A 64 5.118 9.508 7.716 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.700 8.483 9.771 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.882 7.600 8.689 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.903 7.565 6.910 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.971 6.483 7.834 1.00 0.00 H new ATOM 996 N CYS A 65 5.201 7.653 4.722 1.00 0.00 N ATOM 997 CA CYS A 65 4.436 7.783 3.489 1.00 0.00 C ATOM 998 C CYS A 65 2.937 7.725 3.770 1.00 0.00 C ATOM 999 O CYS A 65 2.469 6.867 4.518 1.00 0.00 O ATOM 1000 CB CYS A 65 4.824 6.678 2.505 1.00 0.00 C ATOM 1001 SG CYS A 65 6.180 7.124 1.394 1.00 0.00 S ATOM 0 H CYS A 65 5.267 6.700 5.078 1.00 0.00 H new ATOM 0 HA CYS A 65 4.668 8.752 3.047 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.107 5.788 3.067 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.951 6.414 1.908 1.00 0.00 H new ATOM 0 HG CYS A 65 7.081 6.187 1.411 1.00 0.00 H new ATOM 1007 N THR A 66 2.191 8.645 3.165 1.00 0.00 N ATOM 1008 CA THR A 66 0.746 8.699 3.350 1.00 0.00 C ATOM 1009 C THR A 66 0.020 8.532 2.019 1.00 0.00 C ATOM 1010 O THR A 66 0.380 9.158 1.022 1.00 0.00 O ATOM 1011 CB THR A 66 0.342 10.022 4.002 1.00 0.00 C ATOM 1012 OG1 THR A 66 0.601 11.109 3.131 1.00 0.00 O ATOM 1013 CG2 THR A 66 1.064 10.294 5.303 1.00 0.00 C ATOM 0 H THR A 66 2.564 9.362 2.543 1.00 0.00 H new ATOM 0 HA THR A 66 0.459 7.877 4.006 1.00 0.00 H new ATOM 0 HB THR A 66 -0.724 9.928 4.211 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.335 11.946 3.565 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.730 11.248 5.712 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.844 9.498 6.014 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.138 10.333 5.122 1.00 0.00 H new ATOM 1021 N LEU A 67 -1.003 7.683 2.010 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.778 7.434 0.802 1.00 0.00 C ATOM 1023 C LEU A 67 -2.520 8.692 0.362 1.00 0.00 C ATOM 1024 O LEU A 67 -2.979 9.476 1.193 1.00 0.00 O ATOM 1025 CB LEU A 67 -2.775 6.297 1.035 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.505 5.808 -0.218 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -2.819 4.576 -0.787 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -4.965 5.511 0.095 1.00 0.00 C ATOM 0 H LEU A 67 -1.314 7.156 2.826 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.086 7.146 0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.245 5.455 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.516 6.628 1.763 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.469 6.599 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.351 4.242 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.790 4.821 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.823 3.780 -0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.468 5.165 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.023 4.738 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.451 6.417 0.456 1.00 0.00 H new ATOM 1040 N GLN A 68 -2.635 8.878 -0.948 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.323 10.041 -1.498 1.00 0.00 C ATOM 1042 C GLN A 68 -4.816 9.983 -1.192 1.00 0.00 C ATOM 1043 O GLN A 68 -5.288 9.063 -0.524 1.00 0.00 O ATOM 1044 CB GLN A 68 -3.102 10.123 -3.010 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.662 9.875 -3.429 1.00 0.00 C ATOM 1046 CD GLN A 68 -1.276 10.646 -4.676 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -2.133 11.176 -5.382 1.00 0.00 O ATOM 1048 NE2 GLN A 68 0.021 10.713 -4.953 1.00 0.00 N ATOM 0 H GLN A 68 -2.261 8.239 -1.649 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.909 10.934 -1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.746 9.394 -3.503 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.409 11.108 -3.361 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.997 10.156 -2.613 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.518 8.809 -3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.698 10.259 -4.340 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.341 11.219 -5.779 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.555 10.971 -1.685 1.00 0.00 N ATOM 1058 CA ASP A 69 -6.995 11.031 -1.464 1.00 0.00 C ATOM 1059 C ASP A 69 -7.748 10.310 -2.577 1.00 0.00 C ATOM 1060 O ASP A 69 -8.747 9.636 -2.328 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.458 12.488 -1.380 1.00 0.00 C ATOM 1062 CG ASP A 69 -6.699 13.275 -0.330 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -5.455 13.178 -0.298 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -7.351 13.991 0.460 1.00 0.00 O ATOM 0 H ASP A 69 -5.181 11.741 -2.240 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.214 10.531 -0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.328 12.964 -2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.523 12.515 -1.151 1.00 0.00 H new ATOM 1069 N CYS A 70 -7.261 10.455 -3.805 1.00 0.00 N ATOM 1070 CA CYS A 70 -7.888 9.817 -4.957 1.00 0.00 C ATOM 1071 C CYS A 70 -7.540 8.333 -5.012 1.00 0.00 C ATOM 1072 O CYS A 70 -8.332 7.517 -5.482 1.00 0.00 O ATOM 1073 CB CYS A 70 -7.447 10.505 -6.250 1.00 0.00 C ATOM 1074 SG CYS A 70 -5.654 10.594 -6.464 1.00 0.00 S ATOM 0 H CYS A 70 -6.434 11.009 -4.028 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.969 9.915 -4.852 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -7.877 9.972 -7.098 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.855 11.516 -6.269 1.00 0.00 H new ATOM 0 HG CYS A 70 -5.069 10.361 -5.327 1.00 0.00 H new ATOM 1080 N MET A 71 -6.350 7.990 -4.529 1.00 0.00 N ATOM 1081 CA MET A 71 -5.898 6.604 -4.523 1.00 0.00 C ATOM 1082 C MET A 71 -6.840 5.726 -3.706 1.00 0.00 C ATOM 1083 O MET A 71 -6.987 4.534 -3.980 1.00 0.00 O ATOM 1084 CB MET A 71 -4.478 6.511 -3.961 1.00 0.00 C ATOM 1085 CG MET A 71 -3.416 7.079 -4.889 1.00 0.00 C ATOM 1086 SD MET A 71 -3.387 6.258 -6.495 1.00 0.00 S ATOM 1087 CE MET A 71 -3.294 4.541 -5.996 1.00 0.00 C ATOM 0 H MET A 71 -5.682 8.653 -4.137 1.00 0.00 H new ATOM 0 HA MET A 71 -5.898 6.244 -5.552 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.438 7.041 -3.009 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.246 5.466 -3.754 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.597 8.144 -5.033 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.438 6.982 -4.418 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.885 3.946 -6.813 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.649 4.450 -5.122 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.292 4.179 -5.749 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.477 6.322 -2.701 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.405 5.592 -1.845 1.00 0.00 C ATOM 1099 C TYR A 72 -9.533 4.973 -2.666 1.00 0.00 C ATOM 1100 O TYR A 72 -10.081 3.934 -2.300 1.00 0.00 O ATOM 1101 CB TYR A 72 -8.987 6.524 -0.779 1.00 0.00 C ATOM 1102 CG TYR A 72 -8.190 6.544 0.506 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -8.147 5.431 1.337 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -7.482 7.676 0.890 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -7.420 5.445 2.512 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -6.753 7.697 2.063 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.726 6.580 2.871 1.00 0.00 C ATOM 1108 OH TYR A 72 -6.001 6.599 4.040 1.00 0.00 O ATOM 0 H TYR A 72 -7.367 7.307 -2.461 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.854 4.789 -1.356 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -9.038 7.536 -1.181 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.009 6.217 -0.558 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.691 4.540 1.060 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.502 8.554 0.261 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.396 4.571 3.146 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.207 8.584 2.346 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.800 5.680 4.315 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.874 5.618 -3.777 1.00 0.00 N ATOM 1119 CA LYS A 73 -10.935 5.131 -4.650 1.00 0.00 C ATOM 1120 C LYS A 73 -10.635 3.718 -5.144 1.00 0.00 C ATOM 1121 O LYS A 73 -11.545 2.966 -5.493 1.00 0.00 O ATOM 1122 CB LYS A 73 -11.116 6.072 -5.842 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.388 7.514 -5.445 1.00 0.00 C ATOM 1124 CD LYS A 73 -12.536 8.108 -6.246 1.00 0.00 C ATOM 1125 CE LYS A 73 -12.261 9.555 -6.626 1.00 0.00 C ATOM 1126 NZ LYS A 73 -12.774 9.878 -7.986 1.00 0.00 N ATOM 0 H LYS A 73 -9.430 6.480 -4.094 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.859 5.104 -4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.219 6.038 -6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.941 5.712 -6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.623 7.561 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.489 8.110 -5.600 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.695 7.518 -7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.455 8.052 -5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.726 10.217 -5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.188 9.743 -6.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.567 10.873 -8.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.312 9.264 -8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.802 9.723 -8.015 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.353 3.363 -5.172 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.937 2.041 -5.624 1.00 0.00 C ATOM 1142 C ASP A 74 -8.724 1.099 -4.441 1.00 0.00 C ATOM 1143 O ASP A 74 -7.862 0.221 -4.483 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.652 2.142 -6.447 1.00 0.00 C ATOM 1145 CG ASP A 74 -7.926 2.352 -7.924 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -8.879 3.089 -8.251 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -7.187 1.780 -8.752 1.00 0.00 O ATOM 0 H ASP A 74 -8.586 3.972 -4.887 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.731 1.634 -6.249 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.047 2.968 -6.072 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.067 1.232 -6.315 1.00 0.00 H new ATOM 1152 N VAL A 75 -9.515 1.287 -3.390 1.00 0.00 N ATOM 1153 CA VAL A 75 -9.413 0.454 -2.198 1.00 0.00 C ATOM 1154 C VAL A 75 -10.688 -0.354 -1.983 1.00 0.00 C ATOM 1155 O VAL A 75 -11.795 0.173 -2.101 1.00 0.00 O ATOM 1156 CB VAL A 75 -9.136 1.300 -0.942 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -8.838 0.404 0.251 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -7.988 2.266 -1.192 1.00 0.00 C ATOM 0 H VAL A 75 -10.234 2.009 -3.340 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.577 -0.227 -2.358 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.029 1.883 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.645 1.020 1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.694 -0.243 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.962 -0.208 0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.806 2.856 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.089 1.705 -1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.245 2.931 -2.017 1.00 0.00 H new ATOM 1168 N GLN A 76 -10.527 -1.634 -1.666 1.00 0.00 N ATOM 1169 CA GLN A 76 -11.667 -2.514 -1.436 1.00 0.00 C ATOM 1170 C GLN A 76 -11.862 -2.774 0.054 1.00 0.00 C ATOM 1171 O GLN A 76 -11.001 -2.446 0.870 1.00 0.00 O ATOM 1172 CB GLN A 76 -11.473 -3.839 -2.175 1.00 0.00 C ATOM 1173 CG GLN A 76 -11.211 -3.672 -3.663 1.00 0.00 C ATOM 1174 CD GLN A 76 -11.051 -5.000 -4.379 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -11.684 -5.244 -5.405 1.00 0.00 O ATOM 1176 NE2 GLN A 76 -10.201 -5.865 -3.838 1.00 0.00 N ATOM 0 H GLN A 76 -9.618 -2.085 -1.562 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.559 -2.019 -1.820 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.639 -4.377 -1.726 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.361 -4.456 -2.038 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.034 -3.117 -4.113 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.310 -3.076 -3.805 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.697 -5.620 -2.986 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.052 -6.775 -4.275 1.00 0.00 H new ATOM 1185 N LYS A 77 -13.001 -3.366 0.400 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.311 -3.672 1.793 1.00 0.00 C ATOM 1187 C LYS A 77 -13.134 -5.161 2.083 1.00 0.00 C ATOM 1188 O LYS A 77 -13.037 -5.569 3.241 1.00 0.00 O ATOM 1189 CB LYS A 77 -14.742 -3.241 2.123 1.00 0.00 C ATOM 1190 CG LYS A 77 -14.822 -1.920 2.872 1.00 0.00 C ATOM 1191 CD LYS A 77 -16.098 -1.822 3.693 1.00 0.00 C ATOM 1192 CE LYS A 77 -15.890 -2.335 5.108 1.00 0.00 C ATOM 1193 NZ LYS A 77 -14.858 -1.550 5.838 1.00 0.00 N ATOM 0 H LYS A 77 -13.724 -3.643 -0.264 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.615 -3.117 2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.311 -3.159 1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.218 -4.018 2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.957 -1.819 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.781 -1.094 2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.432 -0.785 3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.888 -2.396 3.209 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -16.833 -2.289 5.653 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.592 -3.383 5.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.206 -1.320 6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.985 -2.111 5.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.660 -0.670 5.320 1.00 0.00 H new ATOM 1207 N ASP A 78 -13.094 -5.972 1.027 1.00 0.00 N ATOM 1208 CA ASP A 78 -12.930 -7.413 1.177 1.00 0.00 C ATOM 1209 C ASP A 78 -11.466 -7.816 1.029 1.00 0.00 C ATOM 1210 O ASP A 78 -11.156 -8.873 0.479 1.00 0.00 O ATOM 1211 CB ASP A 78 -13.781 -8.155 0.145 1.00 0.00 C ATOM 1212 CG ASP A 78 -14.358 -9.446 0.690 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -13.590 -10.420 0.844 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -15.576 -9.485 0.962 1.00 0.00 O ATOM 0 H ASP A 78 -13.173 -5.654 0.061 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.263 -7.687 2.178 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -14.594 -7.508 -0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.173 -8.374 -0.733 1.00 0.00 H new ATOM 1219 N TRP A 79 -10.569 -6.969 1.526 1.00 0.00 N ATOM 1220 CA TRP A 79 -9.138 -7.240 1.448 1.00 0.00 C ATOM 1221 C TRP A 79 -8.722 -8.259 2.509 1.00 0.00 C ATOM 1222 O TRP A 79 -8.908 -8.031 3.704 1.00 0.00 O ATOM 1223 CB TRP A 79 -8.346 -5.944 1.633 1.00 0.00 C ATOM 1224 CG TRP A 79 -6.872 -6.110 1.416 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -5.889 -6.011 2.359 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -6.214 -6.401 0.178 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -4.661 -6.224 1.783 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -4.833 -6.466 0.445 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.658 -6.614 -1.130 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -3.895 -6.734 -0.548 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -5.724 -6.882 -2.114 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -4.356 -6.939 -1.819 1.00 0.00 C ATOM 0 H TRP A 79 -10.808 -6.091 1.986 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.921 -7.655 0.464 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.725 -5.193 0.940 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.517 -5.563 2.640 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.054 -5.797 3.405 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -3.766 -6.205 2.272 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.711 -6.570 -1.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.840 -6.778 -0.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -6.055 -7.050 -3.128 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -3.652 -7.149 -2.610 1.00 0.00 H new ATOM 1243 N PRO A 80 -8.152 -9.405 2.089 1.00 0.00 N ATOM 1244 CA PRO A 80 -7.715 -10.453 3.016 1.00 0.00 C ATOM 1245 C PRO A 80 -6.842 -9.908 4.141 1.00 0.00 C ATOM 1246 O PRO A 80 -6.794 -10.472 5.233 1.00 0.00 O ATOM 1247 CB PRO A 80 -6.911 -11.402 2.126 1.00 0.00 C ATOM 1248 CG PRO A 80 -7.480 -11.213 0.763 1.00 0.00 C ATOM 1249 CD PRO A 80 -7.890 -9.768 0.682 1.00 0.00 C ATOM 0 HA PRO A 80 -8.558 -10.929 3.518 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.848 -11.161 2.149 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.011 -12.436 2.457 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.744 -11.453 -0.004 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.334 -11.871 0.602 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.103 -9.151 0.248 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.777 -9.636 0.062 1.00 0.00 H new ATOM 1257 N GLY A 81 -6.152 -8.805 3.865 1.00 0.00 N ATOM 1258 CA GLY A 81 -5.289 -8.202 4.864 1.00 0.00 C ATOM 1259 C GLY A 81 -6.042 -7.804 6.118 1.00 0.00 C ATOM 1260 O GLY A 81 -5.610 -8.106 7.230 1.00 0.00 O ATOM 0 H GLY A 81 -6.175 -8.319 2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.497 -8.904 5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.807 -7.322 4.439 1.00 0.00 H new ATOM 1264 N TYR A 82 -7.170 -7.124 5.939 1.00 0.00 N ATOM 1265 CA TYR A 82 -7.984 -6.683 7.065 1.00 0.00 C ATOM 1266 C TYR A 82 -8.753 -7.854 7.672 1.00 0.00 C ATOM 1267 O TYR A 82 -8.726 -8.966 7.146 1.00 0.00 O ATOM 1268 CB TYR A 82 -8.962 -5.594 6.621 1.00 0.00 C ATOM 1269 CG TYR A 82 -8.314 -4.490 5.814 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -7.074 -3.976 6.172 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -8.944 -3.963 4.693 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -6.480 -2.969 5.436 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.357 -2.956 3.952 1.00 0.00 C ATOM 1274 CZ TYR A 82 -7.125 -2.461 4.328 1.00 0.00 C ATOM 1275 OH TYR A 82 -6.537 -1.458 3.593 1.00 0.00 O ATOM 0 H TYR A 82 -7.541 -6.867 5.024 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.317 -6.275 7.824 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.755 -6.049 6.027 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.434 -5.159 7.502 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.566 -4.370 7.040 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.909 -4.347 4.396 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.515 -2.581 5.727 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.860 -2.558 3.083 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.652 -1.257 3.963 1.00 0.00 H new ATOM 1285 N SER A 83 -9.438 -7.594 8.781 1.00 0.00 N ATOM 1286 CA SER A 83 -10.214 -8.625 9.459 1.00 0.00 C ATOM 1287 C SER A 83 -11.431 -8.021 10.152 1.00 0.00 C ATOM 1288 O SER A 83 -12.571 -8.309 9.788 1.00 0.00 O ATOM 1289 CB SER A 83 -9.344 -9.360 10.481 1.00 0.00 C ATOM 1290 OG SER A 83 -9.793 -10.690 10.671 1.00 0.00 O ATOM 0 H SER A 83 -9.471 -6.678 9.229 1.00 0.00 H new ATOM 0 HA SER A 83 -10.560 -9.336 8.709 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.308 -9.368 10.142 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.365 -8.827 11.431 1.00 0.00 H new ATOM 0 HG SER A 83 -9.219 -11.138 11.327 1.00 0.00 H new ATOM 1296 N GLU A 84 -11.182 -7.182 11.152 1.00 0.00 N ATOM 1297 CA GLU A 84 -12.259 -6.538 11.896 1.00 0.00 C ATOM 1298 C GLU A 84 -11.840 -5.148 12.365 1.00 0.00 C ATOM 1299 O GLU A 84 -12.380 -4.139 11.910 1.00 0.00 O ATOM 1300 CB GLU A 84 -12.661 -7.394 13.098 1.00 0.00 C ATOM 1301 CG GLU A 84 -13.944 -6.931 13.771 1.00 0.00 C ATOM 1302 CD GLU A 84 -13.770 -6.693 15.258 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -12.962 -5.814 15.628 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -14.441 -7.383 16.053 1.00 0.00 O ATOM 0 H GLU A 84 -10.244 -6.932 11.466 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.116 -6.435 11.230 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.783 -8.427 12.773 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.852 -7.383 13.829 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.287 -6.011 13.297 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.722 -7.679 13.615 1.00 0.00 H new ATOM 1311 N GLY A 85 -10.876 -5.103 13.278 1.00 0.00 N ATOM 1312 CA GLY A 85 -10.402 -3.832 13.794 1.00 0.00 C ATOM 1313 C GLY A 85 -9.832 -2.942 12.708 1.00 0.00 C ATOM 1314 O GLY A 85 -9.915 -1.716 12.795 1.00 0.00 O ATOM 0 H GLY A 85 -10.414 -5.924 13.670 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.224 -3.315 14.289 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.638 -4.013 14.550 1.00 0.00 H new ATOM 1318 N ASP A 86 -9.253 -3.557 11.683 1.00 0.00 N ATOM 1319 CA ASP A 86 -8.667 -2.811 10.575 1.00 0.00 C ATOM 1320 C ASP A 86 -9.746 -2.340 9.606 1.00 0.00 C ATOM 1321 O ASP A 86 -9.672 -1.235 9.068 1.00 0.00 O ATOM 1322 CB ASP A 86 -7.644 -3.676 9.837 1.00 0.00 C ATOM 1323 CG ASP A 86 -6.357 -3.844 10.620 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -6.035 -2.953 11.432 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -5.670 -4.869 10.420 1.00 0.00 O ATOM 0 H ASP A 86 -9.177 -4.570 11.596 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.164 -1.935 10.984 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.077 -4.657 9.640 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.421 -3.225 8.870 1.00 0.00 H new ATOM 1330 N GLN A 87 -10.748 -3.185 9.387 1.00 0.00 N ATOM 1331 CA GLN A 87 -11.843 -2.854 8.482 1.00 0.00 C ATOM 1332 C GLN A 87 -12.601 -1.625 8.972 1.00 0.00 C ATOM 1333 O GLN A 87 -12.795 -0.664 8.228 1.00 0.00 O ATOM 1334 CB GLN A 87 -12.801 -4.039 8.350 1.00 0.00 C ATOM 1335 CG GLN A 87 -12.306 -5.118 7.400 1.00 0.00 C ATOM 1336 CD GLN A 87 -13.370 -6.153 7.090 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -13.042 -7.422 7.307 1.00 0.00 O flip ATOM 1338 NE2 GLN A 87 -14.473 -5.817 6.661 1.00 0.00 N flip ATOM 0 H GLN A 87 -10.825 -4.104 9.824 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.417 -2.630 7.504 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.960 -4.479 9.335 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.769 -3.677 8.003 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.973 -4.655 6.471 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.439 -5.613 7.838 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.682 -4.830 6.509 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.178 -6.525 6.457 1.00 0.00 H new ATOM 1347 N GLN A 88 -13.029 -1.663 10.230 1.00 0.00 N ATOM 1348 CA GLN A 88 -13.767 -0.552 10.820 1.00 0.00 C ATOM 1349 C GLN A 88 -12.932 0.724 10.806 1.00 0.00 C ATOM 1350 O GLN A 88 -13.461 1.823 10.640 1.00 0.00 O ATOM 1351 CB GLN A 88 -14.180 -0.890 12.253 1.00 0.00 C ATOM 1352 CG GLN A 88 -15.450 -1.720 12.340 1.00 0.00 C ATOM 1353 CD GLN A 88 -16.662 -0.894 12.723 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -17.653 -0.851 11.996 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -16.587 -0.231 13.872 1.00 0.00 N ATOM 0 H GLN A 88 -12.877 -2.451 10.860 1.00 0.00 H new ATOM 0 HA GLN A 88 -14.663 -0.385 10.222 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -13.368 -1.432 12.738 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.322 0.036 12.809 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.632 -2.201 11.379 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -15.311 -2.515 13.073 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -15.745 -0.295 14.444 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -17.372 0.342 14.182 1.00 0.00 H new ATOM 1364 N LEU A 89 -11.624 0.571 10.982 1.00 0.00 N ATOM 1365 CA LEU A 89 -10.714 1.711 10.990 1.00 0.00 C ATOM 1366 C LEU A 89 -10.643 2.360 9.611 1.00 0.00 C ATOM 1367 O LEU A 89 -10.516 3.578 9.494 1.00 0.00 O ATOM 1368 CB LEU A 89 -9.317 1.273 11.434 1.00 0.00 C ATOM 1369 CG LEU A 89 -8.259 2.378 11.427 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -8.705 3.550 12.287 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -6.923 1.836 11.910 1.00 0.00 C ATOM 0 H LEU A 89 -11.170 -0.332 11.121 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.098 2.446 11.698 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.385 0.862 12.441 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.982 0.466 10.783 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.137 2.733 10.404 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.940 4.326 12.270 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.639 3.953 11.896 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.856 3.212 13.312 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.181 2.634 11.899 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.031 1.455 12.925 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.598 1.030 11.252 1.00 0.00 H new ATOM 1383 N LEU A 90 -10.726 1.537 8.571 1.00 0.00 N ATOM 1384 CA LEU A 90 -10.670 2.029 7.200 1.00 0.00 C ATOM 1385 C LEU A 90 -11.952 2.771 6.833 1.00 0.00 C ATOM 1386 O LEU A 90 -11.940 3.674 5.997 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.442 0.870 6.227 1.00 0.00 C ATOM 1388 CG LEU A 90 -10.110 1.284 4.793 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -8.605 1.382 4.601 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -10.713 0.301 3.801 1.00 0.00 C ATOM 0 H LEU A 90 -10.832 0.526 8.652 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.835 2.726 7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.630 0.251 6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.337 0.248 6.211 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.544 2.267 4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.388 1.678 3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.198 2.125 5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.148 0.413 4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.467 0.611 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.309 -0.695 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.796 0.281 3.921 1.00 0.00 H new ATOM 1402 N LYS A 91 -13.057 2.383 7.462 1.00 0.00 N ATOM 1403 CA LYS A 91 -14.347 3.010 7.200 1.00 0.00 C ATOM 1404 C LYS A 91 -14.291 4.511 7.475 1.00 0.00 C ATOM 1405 O LYS A 91 -14.540 5.324 6.585 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.436 2.364 8.059 1.00 0.00 C ATOM 1407 CG LYS A 91 -16.137 1.200 7.378 1.00 0.00 C ATOM 1408 CD LYS A 91 -17.455 1.630 6.750 1.00 0.00 C ATOM 1409 CE LYS A 91 -18.627 0.837 7.307 1.00 0.00 C ATOM 1410 NZ LYS A 91 -18.479 -0.624 7.057 1.00 0.00 N ATOM 0 H LYS A 91 -13.085 1.637 8.157 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.587 2.861 6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -14.992 2.015 8.991 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.176 3.120 8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.487 0.782 6.610 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.321 0.409 8.105 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.615 2.693 6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.405 1.495 5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.709 1.015 8.379 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -19.553 1.191 6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -19.367 -1.109 7.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.257 -0.784 6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.709 -1.001 7.646 1.00 0.00 H new ATOM 1424 N ARG A 92 -13.965 4.869 8.712 1.00 0.00 N ATOM 1425 CA ARG A 92 -13.877 6.271 9.106 1.00 0.00 C ATOM 1426 C ARG A 92 -12.867 7.020 8.241 1.00 0.00 C ATOM 1427 O ARG A 92 -13.004 8.221 8.010 1.00 0.00 O ATOM 1428 CB ARG A 92 -13.487 6.385 10.580 1.00 0.00 C ATOM 1429 CG ARG A 92 -12.331 5.480 10.975 1.00 0.00 C ATOM 1430 CD ARG A 92 -11.765 5.855 12.336 1.00 0.00 C ATOM 1431 NE ARG A 92 -11.710 4.710 13.242 1.00 0.00 N ATOM 1432 CZ ARG A 92 -12.770 4.217 13.879 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -13.967 4.767 13.713 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -12.634 3.172 14.683 1.00 0.00 N ATOM 0 H ARG A 92 -13.757 4.207 9.460 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.858 6.724 8.960 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.219 7.419 10.797 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.353 6.144 11.196 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.670 4.444 10.994 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.545 5.544 10.223 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.763 6.266 12.211 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.378 6.639 12.780 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.807 4.262 13.395 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.078 5.571 13.095 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.776 4.386 14.203 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.717 2.745 14.814 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.446 2.795 15.171 1.00 0.00 H new ATOM 1448 N VAL A 93 -11.853 6.303 7.765 1.00 0.00 N ATOM 1449 CA VAL A 93 -10.822 6.902 6.927 1.00 0.00 C ATOM 1450 C VAL A 93 -11.356 7.203 5.531 1.00 0.00 C ATOM 1451 O VAL A 93 -11.079 8.261 4.964 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.590 5.983 6.808 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -8.468 6.684 6.056 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -9.120 5.537 8.184 1.00 0.00 C ATOM 0 H VAL A 93 -11.724 5.307 7.946 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.525 7.834 7.408 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.877 5.097 6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.608 6.019 5.983 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.810 6.947 5.055 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.182 7.590 6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.250 4.889 8.079 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.852 6.411 8.778 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.921 4.991 8.683 1.00 0.00 H new ATOM 1464 N LEU A 94 -12.122 6.267 4.980 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.694 6.433 3.650 1.00 0.00 C ATOM 1466 C LEU A 94 -13.641 7.628 3.609 1.00 0.00 C ATOM 1467 O LEU A 94 -13.755 8.309 2.588 1.00 0.00 O ATOM 1468 CB LEU A 94 -13.438 5.164 3.228 1.00 0.00 C ATOM 1469 CG LEU A 94 -12.544 3.956 2.940 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -13.278 2.662 3.256 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -12.083 3.969 1.491 1.00 0.00 C ATOM 0 H LEU A 94 -12.361 5.386 5.435 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.877 6.616 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -14.143 4.896 4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -14.024 5.384 2.336 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.665 4.017 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.627 1.814 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.559 2.651 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -14.175 2.593 2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.448 3.103 1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.951 3.932 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.519 4.881 1.297 1.00 0.00 H new ATOM 1483 N VAL A 95 -14.320 7.878 4.723 1.00 0.00 N ATOM 1484 CA VAL A 95 -15.258 8.991 4.813 1.00 0.00 C ATOM 1485 C VAL A 95 -14.528 10.329 4.784 1.00 0.00 C ATOM 1486 O VAL A 95 -14.923 11.247 4.065 1.00 0.00 O ATOM 1487 CB VAL A 95 -16.106 8.910 6.097 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -17.208 9.958 6.077 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -16.689 7.515 6.265 1.00 0.00 C ATOM 0 H VAL A 95 -14.238 7.325 5.576 1.00 0.00 H new ATOM 0 HA VAL A 95 -15.916 8.920 3.947 1.00 0.00 H new ATOM 0 HB VAL A 95 -15.459 9.113 6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -17.796 9.885 6.992 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -16.764 10.951 6.009 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -17.855 9.790 5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.285 7.477 7.177 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.321 7.279 5.409 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -15.880 6.788 6.330 1.00 0.00 H new ATOM 1499 N ARG A 96 -13.464 10.434 5.573 1.00 0.00 N ATOM 1500 CA ARG A 96 -12.679 11.661 5.639 1.00 0.00 C ATOM 1501 C ARG A 96 -12.004 11.950 4.301 1.00 0.00 C ATOM 1502 O ARG A 96 -11.823 13.107 3.923 1.00 0.00 O ATOM 1503 CB ARG A 96 -11.625 11.560 6.743 1.00 0.00 C ATOM 1504 CG ARG A 96 -12.205 11.229 8.109 1.00 0.00 C ATOM 1505 CD ARG A 96 -12.643 12.484 8.847 1.00 0.00 C ATOM 1506 NE ARG A 96 -12.456 12.362 10.291 1.00 0.00 N ATOM 1507 CZ ARG A 96 -12.659 13.356 11.151 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -13.053 14.548 10.719 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -12.467 13.160 12.449 1.00 0.00 N ATOM 0 H ARG A 96 -13.125 9.684 6.176 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.357 12.483 5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.898 10.795 6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.085 12.505 6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -13.057 10.559 7.991 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.461 10.698 8.702 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.075 13.338 8.479 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.693 12.683 8.633 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.152 11.462 10.661 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.202 14.706 9.722 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -13.207 15.306 11.384 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.164 12.247 12.788 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -12.623 13.922 13.108 1.00 0.00 H new ATOM 1523 N LYS A 97 -11.635 10.890 3.589 1.00 0.00 N ATOM 1524 CA LYS A 97 -10.979 11.030 2.294 1.00 0.00 C ATOM 1525 C LYS A 97 -12.007 11.124 1.171 1.00 0.00 C ATOM 1526 O LYS A 97 -12.141 12.163 0.524 1.00 0.00 O ATOM 1527 CB LYS A 97 -10.039 9.851 2.044 1.00 0.00 C ATOM 1528 CG LYS A 97 -9.116 9.550 3.214 1.00 0.00 C ATOM 1529 CD LYS A 97 -7.851 10.390 3.155 1.00 0.00 C ATOM 1530 CE LYS A 97 -6.896 10.039 4.284 1.00 0.00 C ATOM 1531 NZ LYS A 97 -5.559 10.669 4.097 1.00 0.00 N ATOM 0 H LYS A 97 -11.779 9.925 3.887 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.397 11.952 2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.633 8.964 1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.436 10.059 1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.639 9.743 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.852 8.492 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.355 10.236 2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.112 11.447 3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.321 10.365 5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.783 8.956 4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.937 10.405 4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.142 10.339 3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.663 11.703 4.069 1.00 0.00 H new ATOM 1545 N LEU A 98 -12.730 10.032 0.944 1.00 0.00 N ATOM 1546 CA LEU A 98 -13.745 9.993 -0.102 1.00 0.00 C ATOM 1547 C LEU A 98 -15.014 10.713 0.343 1.00 0.00 C ATOM 1548 O LEU A 98 -15.483 10.527 1.466 1.00 0.00 O ATOM 1549 CB LEU A 98 -14.071 8.544 -0.471 1.00 0.00 C ATOM 1550 CG LEU A 98 -12.859 7.617 -0.585 1.00 0.00 C ATOM 1551 CD1 LEU A 98 -13.294 6.218 -0.991 1.00 0.00 C ATOM 1552 CD2 LEU A 98 -11.855 8.175 -1.583 1.00 0.00 C ATOM 0 H LEU A 98 -12.632 9.163 1.470 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.347 10.504 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -14.751 8.138 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -14.605 8.538 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.378 7.557 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -12.419 5.573 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.976 5.817 -0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -13.799 6.260 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.999 7.504 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.326 8.264 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.520 9.158 -1.251 1.00 0.00 H new ATOM 1564 N SER A 99 -15.563 11.535 -0.544 1.00 0.00 N ATOM 1565 CA SER A 99 -16.779 12.284 -0.241 1.00 0.00 C ATOM 1566 C SER A 99 -16.566 13.205 0.956 1.00 0.00 C ATOM 1567 O SER A 99 -16.614 12.766 2.106 1.00 0.00 O ATOM 1568 CB SER A 99 -17.938 11.326 0.037 1.00 0.00 C ATOM 1569 OG SER A 99 -19.173 11.888 -0.370 1.00 0.00 O ATOM 0 H SER A 99 -15.187 11.700 -1.478 1.00 0.00 H new ATOM 0 HA SER A 99 -17.024 12.896 -1.109 1.00 0.00 H new ATOM 0 HB2 SER A 99 -17.771 10.386 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 99 -17.974 11.093 1.101 1.00 0.00 H new ATOM 0 HG SER A 99 -19.898 11.255 -0.183 1.00 0.00 H new ATOM 1575 N GLY A 100 -16.331 14.484 0.678 1.00 0.00 N ATOM 1576 CA GLY A 100 -16.115 15.446 1.743 1.00 0.00 C ATOM 1577 C GLY A 100 -16.656 16.822 1.401 1.00 0.00 C ATOM 1578 O GLY A 100 -17.634 16.938 0.662 1.00 0.00 O ATOM 0 H GLY A 100 -16.286 14.871 -0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -16.593 15.087 2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -15.048 15.520 1.951 1.00 0.00 H new ATOM 1582 N PRO A 101 -16.037 17.892 1.927 1.00 0.00 N ATOM 1583 CA PRO A 101 -16.475 19.266 1.665 1.00 0.00 C ATOM 1584 C PRO A 101 -16.617 19.553 0.173 1.00 0.00 C ATOM 1585 O PRO A 101 -16.425 18.668 -0.661 1.00 0.00 O ATOM 1586 CB PRO A 101 -15.357 20.119 2.268 1.00 0.00 C ATOM 1587 CG PRO A 101 -14.755 19.259 3.325 1.00 0.00 C ATOM 1588 CD PRO A 101 -14.863 17.846 2.820 1.00 0.00 C ATOM 0 HA PRO A 101 -17.458 19.467 2.090 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -14.619 20.396 1.515 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -15.748 21.046 2.687 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -13.715 19.531 3.504 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -15.283 19.377 4.271 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -13.963 17.540 2.286 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.006 17.137 3.636 1.00 0.00 H new ATOM 1596 N SER A 102 -16.955 20.796 -0.156 1.00 0.00 N ATOM 1597 CA SER A 102 -17.123 21.200 -1.547 1.00 0.00 C ATOM 1598 C SER A 102 -15.809 21.078 -2.311 1.00 0.00 C ATOM 1599 O SER A 102 -15.678 20.246 -3.210 1.00 0.00 O ATOM 1600 CB SER A 102 -17.639 22.638 -1.624 1.00 0.00 C ATOM 1601 OG SER A 102 -18.459 22.825 -2.763 1.00 0.00 O ATOM 0 H SER A 102 -17.118 21.541 0.522 1.00 0.00 H new ATOM 0 HA SER A 102 -17.853 20.534 -2.007 1.00 0.00 H new ATOM 0 HB2 SER A 102 -18.204 22.874 -0.722 1.00 0.00 H new ATOM 0 HB3 SER A 102 -16.796 23.328 -1.661 1.00 0.00 H new ATOM 0 HG SER A 102 -18.777 23.751 -2.788 1.00 0.00 H new ATOM 1607 N SER A 103 -14.839 21.910 -1.949 1.00 0.00 N ATOM 1608 CA SER A 103 -13.534 21.895 -2.602 1.00 0.00 C ATOM 1609 C SER A 103 -12.411 21.904 -1.571 1.00 0.00 C ATOM 1610 O SER A 103 -12.118 22.936 -0.966 1.00 0.00 O ATOM 1611 CB SER A 103 -13.394 23.097 -3.537 1.00 0.00 C ATOM 1612 OG SER A 103 -12.453 22.838 -4.564 1.00 0.00 O ATOM 0 H SER A 103 -14.931 22.604 -1.207 1.00 0.00 H new ATOM 0 HA SER A 103 -13.459 20.979 -3.187 1.00 0.00 H new ATOM 0 HB2 SER A 103 -14.362 23.333 -3.978 1.00 0.00 H new ATOM 0 HB3 SER A 103 -13.082 23.971 -2.966 1.00 0.00 H new ATOM 0 HG SER A 103 -12.383 23.621 -5.149 1.00 0.00 H new ATOM 1618 N GLY A 104 -11.784 20.748 -1.375 1.00 0.00 N ATOM 1619 CA GLY A 104 -10.699 20.645 -0.418 1.00 0.00 C ATOM 1620 C GLY A 104 -10.566 19.251 0.161 1.00 0.00 C ATOM 1621 O GLY A 104 -11.413 18.392 -0.161 1.00 0.00 O ATOM 1622 OXT GLY A 104 -9.615 19.019 0.936 1.00 0.00 O ATOM 0 H GLY A 104 -12.009 19.881 -1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -9.764 20.924 -0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.864 21.357 0.391 1.00 0.00 H new TER 1626 GLY A 104