USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 410 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 41 CYS SG : rot 151:sc= -2.38 USER MOD Set 1.2: A 46 CYS SG : rot -129:sc= -0.552 USER MOD Set 1.3: A 59 HIS : no HE2:sc= -1.6 K(o=-8.2,f=-9.7) USER MOD Set 1.4: A 60 MET CE :methyl -113:sc= -3.57! (180deg=-3.86!) USER MOD Set 1.5: A 63 HIS : no HE2:sc= -0.0818 K(o=-8.2,f=-10) USER MOD Set 2.1: A 10 CYS SG : rot -120:sc= 0.418 USER MOD Set 2.2: A 15 CYS SG : rot -170:sc= -1.2 USER MOD Set 2.3: A 28 HIS : no HD1:sc= -2.76! K(o=-3.9!,f=-4.5) USER MOD Set 2.4: A 33 HIS : no HD1:sc= -0.356 X(o=-3.9,f=-4.2) USER MOD Single : A 8 MET CE :methyl -144:sc= -0.637 (180deg=-4.03) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.0199 K(o=-0.02,f=-1.2) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0769 X(o=-0.077,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -12! C(o=-12!,f=-15!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= -0.0561 (180deg=-0.333) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc=-0.00612 X(o=-0.0061,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= -0.749 (180deg=-1.13) USER MOD Single : A 49 SER OG : rot 48:sc= 1.16 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -2.14! C(o=-2.1!,f=-5.2!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -23.934 -6.132 -6.781 1.00 0.00 N ATOM 60 CA GLY A 7 -23.410 -4.848 -6.353 1.00 0.00 C ATOM 61 C GLY A 7 -21.895 -4.806 -6.366 1.00 0.00 C ATOM 62 O GLY A 7 -21.243 -5.810 -6.651 1.00 0.00 O ATOM 0 HA2 GLY A 7 -23.798 -4.065 -7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.768 -4.630 -5.347 1.00 0.00 H new ATOM 66 N MET A 8 -21.334 -3.642 -6.060 1.00 0.00 N ATOM 67 CA MET A 8 -19.885 -3.474 -6.038 1.00 0.00 C ATOM 68 C MET A 8 -19.377 -3.318 -4.608 1.00 0.00 C ATOM 69 O MET A 8 -19.716 -2.367 -3.904 1.00 0.00 O ATOM 70 CB MET A 8 -19.479 -2.256 -6.871 1.00 0.00 C ATOM 71 CG MET A 8 -19.697 -2.442 -8.364 1.00 0.00 C ATOM 72 SD MET A 8 -19.379 -0.937 -9.305 1.00 0.00 S ATOM 73 CE MET A 8 -20.563 0.183 -8.561 1.00 0.00 C ATOM 0 H MET A 8 -21.860 -2.801 -5.824 1.00 0.00 H new ATOM 0 HA MET A 8 -19.434 -4.368 -6.469 1.00 0.00 H new ATOM 0 HB2 MET A 8 -20.048 -1.389 -6.534 1.00 0.00 H new ATOM 0 HB3 MET A 8 -18.427 -2.037 -6.690 1.00 0.00 H new ATOM 0 HG2 MET A 8 -19.045 -3.237 -8.726 1.00 0.00 H new ATOM 0 HG3 MET A 8 -20.723 -2.766 -8.540 1.00 0.00 H new ATOM 0 HE1 MET A 8 -20.963 0.850 -9.325 1.00 0.00 H new ATOM 0 HE2 MET A 8 -21.377 -0.390 -8.118 1.00 0.00 H new ATOM 0 HE3 MET A 8 -20.070 0.772 -7.787 1.00 0.00 H new ATOM 83 N PRO A 9 -18.545 -4.273 -4.168 1.00 0.00 N ATOM 84 CA PRO A 9 -17.972 -4.263 -2.818 1.00 0.00 C ATOM 85 C PRO A 9 -16.950 -3.148 -2.630 1.00 0.00 C ATOM 86 O PRO A 9 -16.282 -2.738 -3.580 1.00 0.00 O ATOM 87 CB PRO A 9 -17.297 -5.633 -2.710 1.00 0.00 C ATOM 88 CG PRO A 9 -16.992 -6.017 -4.117 1.00 0.00 C ATOM 89 CD PRO A 9 -18.098 -5.435 -4.954 1.00 0.00 C ATOM 0 HA PRO A 9 -18.729 -4.084 -2.055 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.390 -5.581 -2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.954 -6.361 -2.234 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.022 -5.627 -4.426 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -16.950 -7.101 -4.225 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.742 -5.140 -5.941 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -18.905 -6.151 -5.107 1.00 0.00 H new ATOM 97 N CYS A 10 -16.831 -2.661 -1.400 1.00 0.00 N ATOM 98 CA CYS A 10 -15.890 -1.593 -1.086 1.00 0.00 C ATOM 99 C CYS A 10 -14.455 -2.113 -1.094 1.00 0.00 C ATOM 100 O CYS A 10 -14.045 -2.848 -0.195 1.00 0.00 O ATOM 101 CB CYS A 10 -16.215 -0.982 0.278 1.00 0.00 C ATOM 102 SG CYS A 10 -15.361 0.592 0.610 1.00 0.00 S ATOM 0 H CYS A 10 -17.376 -2.990 -0.603 1.00 0.00 H new ATOM 0 HA CYS A 10 -15.984 -0.824 -1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -17.291 -0.820 0.345 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -15.951 -1.697 1.057 1.00 0.00 H new ATOM 0 HG CYS A 10 -14.619 0.468 1.670 1.00 0.00 H new ATOM 107 N ASP A 11 -13.698 -1.726 -2.115 1.00 0.00 N ATOM 108 CA ASP A 11 -12.308 -2.152 -2.240 1.00 0.00 C ATOM 109 C ASP A 11 -11.644 -2.247 -0.870 1.00 0.00 C ATOM 110 O ASP A 11 -10.867 -3.165 -0.607 1.00 0.00 O ATOM 111 CB ASP A 11 -11.533 -1.180 -3.130 1.00 0.00 C ATOM 112 CG ASP A 11 -11.404 0.197 -2.509 1.00 0.00 C ATOM 113 OD1 ASP A 11 -12.353 0.629 -1.820 1.00 0.00 O ATOM 114 OD2 ASP A 11 -10.355 0.843 -2.711 1.00 0.00 O ATOM 0 H ASP A 11 -14.023 -1.119 -2.867 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.296 -3.141 -2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.539 -1.583 -3.323 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.035 -1.095 -4.094 1.00 0.00 H new ATOM 119 N PHE A 12 -11.953 -1.290 0.000 1.00 0.00 N ATOM 120 CA PHE A 12 -11.384 -1.265 1.342 1.00 0.00 C ATOM 121 C PHE A 12 -11.735 -2.538 2.106 1.00 0.00 C ATOM 122 O PHE A 12 -12.893 -2.949 2.181 1.00 0.00 O ATOM 123 CB PHE A 12 -11.890 -0.041 2.110 1.00 0.00 C ATOM 124 CG PHE A 12 -10.908 0.479 3.121 1.00 0.00 C ATOM 125 CD1 PHE A 12 -10.677 -0.211 4.300 1.00 0.00 C ATOM 126 CD2 PHE A 12 -10.218 1.658 2.892 1.00 0.00 C ATOM 127 CE1 PHE A 12 -9.775 0.267 5.232 1.00 0.00 C ATOM 128 CE2 PHE A 12 -9.314 2.141 3.821 1.00 0.00 C ATOM 129 CZ PHE A 12 -9.092 1.443 4.992 1.00 0.00 C ATOM 0 H PHE A 12 -12.594 -0.522 -0.201 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.300 -1.206 1.249 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.124 0.753 1.400 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.820 -0.299 2.617 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.207 -1.132 4.493 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.388 2.207 1.977 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.604 -0.279 6.148 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.783 3.062 3.631 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.386 1.816 5.719 1.00 0.00 H new ATOM 139 N PRO A 13 -10.710 -3.181 2.686 1.00 0.00 N ATOM 140 CA PRO A 13 -10.883 -4.417 3.454 1.00 0.00 C ATOM 141 C PRO A 13 -11.611 -4.183 4.773 1.00 0.00 C ATOM 142 O PRO A 13 -11.495 -3.117 5.377 1.00 0.00 O ATOM 143 CB PRO A 13 -9.447 -4.880 3.711 1.00 0.00 C ATOM 144 CG PRO A 13 -8.631 -3.635 3.650 1.00 0.00 C ATOM 145 CD PRO A 13 -9.303 -2.749 2.637 1.00 0.00 C ATOM 0 HA PRO A 13 -11.491 -5.147 2.919 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.356 -5.366 4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.124 -5.602 2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.586 -3.149 4.625 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.605 -3.855 3.356 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.197 -1.695 2.892 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.877 -2.880 1.642 1.00 0.00 H new ATOM 153 N GLY A 14 -12.362 -5.186 5.216 1.00 0.00 N ATOM 154 CA GLY A 14 -13.098 -5.069 6.462 1.00 0.00 C ATOM 155 C GLY A 14 -14.421 -4.351 6.288 1.00 0.00 C ATOM 156 O GLY A 14 -15.454 -4.810 6.776 1.00 0.00 O ATOM 0 H GLY A 14 -12.474 -6.078 4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.279 -6.064 6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.490 -4.533 7.191 1.00 0.00 H new ATOM 160 N CYS A 15 -14.391 -3.218 5.594 1.00 0.00 N ATOM 161 CA CYS A 15 -15.597 -2.433 5.359 1.00 0.00 C ATOM 162 C CYS A 15 -16.807 -3.340 5.158 1.00 0.00 C ATOM 163 O CYS A 15 -17.796 -3.243 5.882 1.00 0.00 O ATOM 164 CB CYS A 15 -15.413 -1.531 4.136 1.00 0.00 C ATOM 165 SG CYS A 15 -16.854 -0.482 3.762 1.00 0.00 S ATOM 0 H CYS A 15 -13.544 -2.823 5.185 1.00 0.00 H new ATOM 0 HA CYS A 15 -15.773 -1.812 6.238 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -14.544 -0.893 4.296 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -15.195 -2.154 3.268 1.00 0.00 H new ATOM 0 HG CYS A 15 -16.692 0.081 2.601 1.00 0.00 H new ATOM 170 N GLY A 16 -16.719 -4.224 4.167 1.00 0.00 N ATOM 171 CA GLY A 16 -17.813 -5.136 3.888 1.00 0.00 C ATOM 172 C GLY A 16 -19.066 -4.416 3.432 1.00 0.00 C ATOM 173 O GLY A 16 -20.160 -4.685 3.928 1.00 0.00 O ATOM 0 H GLY A 16 -15.910 -4.324 3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -17.504 -5.844 3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -18.036 -5.715 4.784 1.00 0.00 H new ATOM 177 N ARG A 17 -18.907 -3.497 2.485 1.00 0.00 N ATOM 178 CA ARG A 17 -20.035 -2.734 1.964 1.00 0.00 C ATOM 179 C ARG A 17 -20.144 -2.891 0.450 1.00 0.00 C ATOM 180 O ARG A 17 -19.135 -3.004 -0.247 1.00 0.00 O ATOM 181 CB ARG A 17 -19.888 -1.255 2.325 1.00 0.00 C ATOM 182 CG ARG A 17 -20.257 -0.940 3.765 1.00 0.00 C ATOM 183 CD ARG A 17 -20.589 0.533 3.946 1.00 0.00 C ATOM 184 NE ARG A 17 -20.893 0.859 5.337 1.00 0.00 N ATOM 185 CZ ARG A 17 -22.097 0.713 5.880 1.00 0.00 C ATOM 186 NH1 ARG A 17 -23.103 0.249 5.153 1.00 0.00 N ATOM 187 NH2 ARG A 17 -22.295 1.031 7.153 1.00 0.00 N ATOM 0 H ARG A 17 -18.008 -3.263 2.063 1.00 0.00 H new ATOM 0 HA ARG A 17 -20.946 -3.123 2.419 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -18.858 -0.947 2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -20.517 -0.663 1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -21.112 -1.546 4.063 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -19.430 -1.211 4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -19.748 1.138 3.607 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -21.442 0.792 3.318 1.00 0.00 H new ATOM 0 HE ARG A 17 -20.140 1.218 5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -22.954 0.003 4.174 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -24.026 0.138 5.572 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -21.523 1.388 7.716 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -23.220 0.919 7.569 1.00 0.00 H new ATOM 201 N ILE A 18 -21.374 -2.896 -0.052 1.00 0.00 N ATOM 202 CA ILE A 18 -21.614 -3.038 -1.483 1.00 0.00 C ATOM 203 C ILE A 18 -22.560 -1.955 -1.992 1.00 0.00 C ATOM 204 O ILE A 18 -23.534 -1.604 -1.326 1.00 0.00 O ATOM 205 CB ILE A 18 -22.206 -4.420 -1.820 1.00 0.00 C ATOM 206 CG1 ILE A 18 -21.277 -5.531 -1.324 1.00 0.00 C ATOM 207 CG2 ILE A 18 -22.438 -4.545 -3.318 1.00 0.00 C ATOM 208 CD1 ILE A 18 -21.891 -6.911 -1.405 1.00 0.00 C ATOM 0 H ILE A 18 -22.220 -2.803 0.511 1.00 0.00 H new ATOM 0 HA ILE A 18 -20.648 -2.935 -1.977 1.00 0.00 H new ATOM 0 HB ILE A 18 -23.166 -4.522 -1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -20.359 -5.515 -1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -20.998 -5.326 -0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -22.856 -5.527 -3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -23.133 -3.772 -3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -21.491 -4.427 -3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -21.178 -7.649 -1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -22.794 -6.944 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -22.145 -7.136 -2.441 1.00 0.00 H new ATOM 220 N PHE A 19 -22.266 -1.431 -3.177 1.00 0.00 N ATOM 221 CA PHE A 19 -23.091 -0.388 -3.777 1.00 0.00 C ATOM 222 C PHE A 19 -23.394 -0.707 -5.238 1.00 0.00 C ATOM 223 O PHE A 19 -22.532 -1.195 -5.970 1.00 0.00 O ATOM 224 CB PHE A 19 -22.390 0.968 -3.674 1.00 0.00 C ATOM 225 CG PHE A 19 -21.812 1.243 -2.315 1.00 0.00 C ATOM 226 CD1 PHE A 19 -20.552 0.776 -1.977 1.00 0.00 C ATOM 227 CD2 PHE A 19 -22.528 1.968 -1.377 1.00 0.00 C ATOM 228 CE1 PHE A 19 -20.018 1.026 -0.727 1.00 0.00 C ATOM 229 CE2 PHE A 19 -21.999 2.222 -0.125 1.00 0.00 C ATOM 230 CZ PHE A 19 -20.742 1.751 0.200 1.00 0.00 C ATOM 0 H PHE A 19 -21.463 -1.711 -3.741 1.00 0.00 H new ATOM 0 HA PHE A 19 -24.033 -0.345 -3.230 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -21.592 1.013 -4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -23.101 1.755 -3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.981 0.210 -2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -23.511 2.339 -1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -19.036 0.655 -0.475 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -22.568 2.788 0.598 1.00 0.00 H new ATOM 0 HZ PHE A 19 -20.326 1.949 1.177 1.00 0.00 H new ATOM 240 N SER A 20 -24.625 -0.429 -5.655 1.00 0.00 N ATOM 241 CA SER A 20 -25.044 -0.690 -7.027 1.00 0.00 C ATOM 242 C SER A 20 -24.336 0.248 -7.999 1.00 0.00 C ATOM 243 O SER A 20 -23.760 -0.191 -8.994 1.00 0.00 O ATOM 244 CB SER A 20 -26.560 -0.530 -7.159 1.00 0.00 C ATOM 245 OG SER A 20 -26.971 -0.656 -8.509 1.00 0.00 O ATOM 0 H SER A 20 -25.349 -0.023 -5.063 1.00 0.00 H new ATOM 0 HA SER A 20 -24.771 -1.716 -7.275 1.00 0.00 H new ATOM 0 HB2 SER A 20 -27.062 -1.282 -6.551 1.00 0.00 H new ATOM 0 HB3 SER A 20 -26.861 0.444 -6.774 1.00 0.00 H new ATOM 0 HG SER A 20 -27.944 -0.551 -8.566 1.00 0.00 H new ATOM 251 N ASN A 21 -24.383 1.542 -7.703 1.00 0.00 N ATOM 252 CA ASN A 21 -23.747 2.544 -8.551 1.00 0.00 C ATOM 253 C ASN A 21 -22.350 2.883 -8.038 1.00 0.00 C ATOM 254 O ASN A 21 -22.024 2.625 -6.879 1.00 0.00 O ATOM 255 CB ASN A 21 -24.602 3.811 -8.610 1.00 0.00 C ATOM 256 CG ASN A 21 -25.722 3.706 -9.627 1.00 0.00 C ATOM 257 OD1 ASN A 21 -26.839 3.305 -9.298 1.00 0.00 O ATOM 258 ND2 ASN A 21 -25.427 4.066 -10.871 1.00 0.00 N ATOM 0 H ASN A 21 -24.855 1.922 -6.882 1.00 0.00 H new ATOM 0 HA ASN A 21 -23.656 2.129 -9.555 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -25.026 4.006 -7.625 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -23.968 4.662 -8.858 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -26.140 4.016 -11.599 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -24.488 4.392 -11.098 1.00 0.00 H new ATOM 265 N ARG A 22 -21.531 3.463 -8.908 1.00 0.00 N ATOM 266 CA ARG A 22 -20.170 3.838 -8.544 1.00 0.00 C ATOM 267 C ARG A 22 -20.163 5.107 -7.697 1.00 0.00 C ATOM 268 O ARG A 22 -19.560 5.146 -6.625 1.00 0.00 O ATOM 269 CB ARG A 22 -19.321 4.045 -9.800 1.00 0.00 C ATOM 270 CG ARG A 22 -18.620 2.783 -10.276 1.00 0.00 C ATOM 271 CD ARG A 22 -17.605 2.292 -9.256 1.00 0.00 C ATOM 272 NE ARG A 22 -16.589 1.435 -9.863 1.00 0.00 N ATOM 273 CZ ARG A 22 -15.713 1.861 -10.766 1.00 0.00 C ATOM 274 NH1 ARG A 22 -15.728 3.125 -11.164 1.00 0.00 N ATOM 275 NH2 ARG A 22 -14.819 1.021 -11.272 1.00 0.00 N ATOM 0 H ARG A 22 -21.786 3.684 -9.871 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.742 3.027 -7.955 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -19.958 4.421 -10.601 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -18.573 4.813 -9.600 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -19.358 2.003 -10.461 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.119 2.979 -11.224 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.122 3.148 -8.784 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.120 1.742 -8.468 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.550 0.456 -9.578 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.413 3.774 -10.777 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.054 3.449 -11.858 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.804 0.048 -10.968 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.147 1.349 -11.965 1.00 0.00 H new ATOM 289 N GLN A 23 -20.837 6.143 -8.188 1.00 0.00 N ATOM 290 CA GLN A 23 -20.907 7.414 -7.476 1.00 0.00 C ATOM 291 C GLN A 23 -21.008 7.190 -5.971 1.00 0.00 C ATOM 292 O GLN A 23 -20.262 7.786 -5.194 1.00 0.00 O ATOM 293 CB GLN A 23 -22.105 8.230 -7.964 1.00 0.00 C ATOM 294 CG GLN A 23 -23.439 7.523 -7.780 1.00 0.00 C ATOM 295 CD GLN A 23 -24.490 7.994 -8.765 1.00 0.00 C ATOM 296 OE1 GLN A 23 -24.298 8.986 -9.469 1.00 0.00 O ATOM 297 NE2 GLN A 23 -25.610 7.282 -8.822 1.00 0.00 N ATOM 0 H GLN A 23 -21.341 6.127 -9.074 1.00 0.00 H new ATOM 0 HA GLN A 23 -19.991 7.968 -7.681 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -22.130 9.179 -7.429 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.969 8.463 -9.020 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -23.295 6.449 -7.894 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -23.797 7.690 -6.764 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -25.727 6.467 -8.220 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -26.353 7.550 -9.468 1.00 0.00 H new ATOM 306 N TYR A 24 -21.935 6.329 -5.567 1.00 0.00 N ATOM 307 CA TYR A 24 -22.136 6.029 -4.154 1.00 0.00 C ATOM 308 C TYR A 24 -20.869 5.444 -3.536 1.00 0.00 C ATOM 309 O TYR A 24 -20.528 5.742 -2.391 1.00 0.00 O ATOM 310 CB TYR A 24 -23.300 5.053 -3.979 1.00 0.00 C ATOM 311 CG TYR A 24 -24.659 5.696 -4.142 1.00 0.00 C ATOM 312 CD1 TYR A 24 -25.028 6.791 -3.370 1.00 0.00 C ATOM 313 CD2 TYR A 24 -25.574 5.208 -5.066 1.00 0.00 C ATOM 314 CE1 TYR A 24 -26.268 7.382 -3.515 1.00 0.00 C ATOM 315 CE2 TYR A 24 -26.816 5.793 -5.219 1.00 0.00 C ATOM 316 CZ TYR A 24 -27.159 6.880 -4.441 1.00 0.00 C ATOM 317 OH TYR A 24 -28.395 7.464 -4.590 1.00 0.00 O ATOM 0 H TYR A 24 -22.559 5.826 -6.198 1.00 0.00 H new ATOM 0 HA TYR A 24 -22.372 6.961 -3.641 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -23.199 4.247 -4.705 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -23.238 4.600 -2.989 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -24.333 7.187 -2.644 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -25.310 4.356 -5.675 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -26.539 8.232 -2.907 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -27.515 5.402 -5.944 1.00 0.00 H new ATOM 0 HH TYR A 24 -28.899 6.990 -5.284 1.00 0.00 H new ATOM 327 N LEU A 25 -20.177 4.609 -4.303 1.00 0.00 N ATOM 328 CA LEU A 25 -18.947 3.980 -3.833 1.00 0.00 C ATOM 329 C LEU A 25 -17.877 5.028 -3.542 1.00 0.00 C ATOM 330 O LEU A 25 -17.439 5.181 -2.403 1.00 0.00 O ATOM 331 CB LEU A 25 -18.431 2.984 -4.873 1.00 0.00 C ATOM 332 CG LEU A 25 -17.114 2.283 -4.535 1.00 0.00 C ATOM 333 CD1 LEU A 25 -17.248 1.485 -3.248 1.00 0.00 C ATOM 334 CD2 LEU A 25 -16.681 1.381 -5.682 1.00 0.00 C ATOM 0 H LEU A 25 -20.446 4.352 -5.253 1.00 0.00 H new ATOM 0 HA LEU A 25 -19.170 3.448 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -19.195 2.223 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -18.307 3.509 -5.820 1.00 0.00 H new ATOM 0 HG LEU A 25 -16.347 3.044 -4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -16.301 0.994 -3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -17.511 2.155 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -18.028 0.733 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.742 0.890 -5.425 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -17.447 0.627 -5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -16.543 1.979 -6.583 1.00 0.00 H new ATOM 346 N ASN A 26 -17.463 5.748 -4.580 1.00 0.00 N ATOM 347 CA ASN A 26 -16.446 6.783 -4.435 1.00 0.00 C ATOM 348 C ASN A 26 -16.857 7.806 -3.379 1.00 0.00 C ATOM 349 O ASN A 26 -16.016 8.337 -2.654 1.00 0.00 O ATOM 350 CB ASN A 26 -16.207 7.483 -5.774 1.00 0.00 C ATOM 351 CG ASN A 26 -14.844 8.145 -5.845 1.00 0.00 C ATOM 352 OD1 ASN A 26 -14.739 9.363 -5.988 1.00 0.00 O ATOM 353 ND2 ASN A 26 -13.791 7.342 -5.745 1.00 0.00 N ATOM 0 H ASN A 26 -17.816 5.634 -5.530 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.521 6.306 -4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -16.298 6.757 -6.582 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -16.981 8.234 -5.932 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -12.848 7.730 -5.786 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -13.925 6.338 -5.627 1.00 0.00 H new ATOM 360 N HIS A 27 -18.156 8.076 -3.299 1.00 0.00 N ATOM 361 CA HIS A 27 -18.679 9.034 -2.332 1.00 0.00 C ATOM 362 C HIS A 27 -18.596 8.475 -0.914 1.00 0.00 C ATOM 363 O HIS A 27 -18.217 9.181 0.021 1.00 0.00 O ATOM 364 CB HIS A 27 -20.127 9.390 -2.668 1.00 0.00 C ATOM 365 CG HIS A 27 -20.751 10.342 -1.694 1.00 0.00 C ATOM 366 ND1 HIS A 27 -21.106 9.981 -0.411 1.00 0.00 N ATOM 367 CD2 HIS A 27 -21.082 11.648 -1.820 1.00 0.00 C ATOM 368 CE1 HIS A 27 -21.629 11.024 0.209 1.00 0.00 C ATOM 369 NE2 HIS A 27 -21.626 12.049 -0.625 1.00 0.00 N ATOM 0 H HIS A 27 -18.865 7.645 -3.892 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.069 9.936 -2.384 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -20.163 9.828 -3.665 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -20.719 8.476 -2.700 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -20.944 12.261 -2.698 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -21.996 11.037 1.225 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -21.972 12.985 -0.415 1.00 0.00 H new ATOM 377 N HIS A 28 -18.952 7.204 -0.763 1.00 0.00 N ATOM 378 CA HIS A 28 -18.918 6.550 0.541 1.00 0.00 C ATOM 379 C HIS A 28 -17.502 6.547 1.110 1.00 0.00 C ATOM 380 O HIS A 28 -17.302 6.742 2.309 1.00 0.00 O ATOM 381 CB HIS A 28 -19.439 5.117 0.431 1.00 0.00 C ATOM 382 CG HIS A 28 -18.847 4.185 1.442 1.00 0.00 C ATOM 383 ND1 HIS A 28 -19.312 4.085 2.737 1.00 0.00 N ATOM 384 CD2 HIS A 28 -17.822 3.307 1.343 1.00 0.00 C ATOM 385 CE1 HIS A 28 -18.598 3.186 3.390 1.00 0.00 C ATOM 386 NE2 HIS A 28 -17.687 2.698 2.567 1.00 0.00 N ATOM 0 H HIS A 28 -19.267 6.606 -1.527 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.562 7.111 1.218 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.523 5.124 0.546 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -19.227 4.738 -0.569 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -17.222 3.120 0.465 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -18.736 2.899 4.422 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -16.996 1.985 2.802 1.00 0.00 H new ATOM 394 N LYS A 29 -16.521 6.322 0.241 1.00 0.00 N ATOM 395 CA LYS A 29 -15.124 6.293 0.655 1.00 0.00 C ATOM 396 C LYS A 29 -14.583 7.707 0.845 1.00 0.00 C ATOM 397 O LYS A 29 -13.600 7.917 1.557 1.00 0.00 O ATOM 398 CB LYS A 29 -14.279 5.547 -0.380 1.00 0.00 C ATOM 399 CG LYS A 29 -14.856 4.200 -0.779 1.00 0.00 C ATOM 400 CD LYS A 29 -14.059 3.564 -1.905 1.00 0.00 C ATOM 401 CE LYS A 29 -14.194 4.352 -3.199 1.00 0.00 C ATOM 402 NZ LYS A 29 -13.469 3.700 -4.324 1.00 0.00 N ATOM 0 H LYS A 29 -16.669 6.157 -0.755 1.00 0.00 H new ATOM 0 HA LYS A 29 -15.065 5.769 1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.178 6.168 -1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.276 5.399 0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.861 3.535 0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.893 4.325 -1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.008 3.507 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.403 2.542 -2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.249 4.451 -3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.806 5.360 -3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.585 4.268 -5.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.458 3.628 -4.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.856 2.748 -4.481 1.00 0.00 H new ATOM 416 N LYS A 30 -15.231 8.674 0.205 1.00 0.00 N ATOM 417 CA LYS A 30 -14.818 10.069 0.305 1.00 0.00 C ATOM 418 C LYS A 30 -15.597 10.790 1.400 1.00 0.00 C ATOM 419 O LYS A 30 -15.327 11.952 1.705 1.00 0.00 O ATOM 420 CB LYS A 30 -15.023 10.780 -1.034 1.00 0.00 C ATOM 421 CG LYS A 30 -14.200 12.049 -1.182 1.00 0.00 C ATOM 422 CD LYS A 30 -14.696 12.904 -2.336 1.00 0.00 C ATOM 423 CE LYS A 30 -14.270 12.329 -3.678 1.00 0.00 C ATOM 424 NZ LYS A 30 -12.796 12.407 -3.873 1.00 0.00 N ATOM 0 H LYS A 30 -16.045 8.517 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.759 10.091 0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.767 10.095 -1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -16.079 11.026 -1.147 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.246 12.623 -0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.154 11.789 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.783 12.974 -2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.307 13.917 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.591 11.289 -3.746 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.771 12.870 -4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.573 12.299 -4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.450 13.329 -3.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.334 11.648 -3.333 1.00 0.00 H new ATOM 438 N TYR A 31 -16.563 10.094 1.989 1.00 0.00 N ATOM 439 CA TYR A 31 -17.382 10.669 3.050 1.00 0.00 C ATOM 440 C TYR A 31 -17.195 9.904 4.357 1.00 0.00 C ATOM 441 O TYR A 31 -17.192 10.493 5.437 1.00 0.00 O ATOM 442 CB TYR A 31 -18.857 10.659 2.646 1.00 0.00 C ATOM 443 CG TYR A 31 -19.262 11.848 1.804 1.00 0.00 C ATOM 444 CD1 TYR A 31 -18.652 12.099 0.582 1.00 0.00 C ATOM 445 CD2 TYR A 31 -20.257 12.720 2.231 1.00 0.00 C ATOM 446 CE1 TYR A 31 -19.018 13.184 -0.191 1.00 0.00 C ATOM 447 CE2 TYR A 31 -20.631 13.806 1.464 1.00 0.00 C ATOM 448 CZ TYR A 31 -20.008 14.034 0.255 1.00 0.00 C ATOM 449 OH TYR A 31 -20.377 15.116 -0.512 1.00 0.00 O ATOM 0 H TYR A 31 -16.798 9.131 1.750 1.00 0.00 H new ATOM 0 HA TYR A 31 -17.062 11.699 3.204 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -19.067 9.744 2.092 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -19.471 10.635 3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -17.877 11.434 0.230 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -20.746 12.545 3.178 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -18.532 13.365 -1.138 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -21.407 14.473 1.809 1.00 0.00 H new ATOM 0 HH TYR A 31 -21.088 15.613 -0.056 1.00 0.00 H new ATOM 459 N GLN A 32 -17.039 8.589 4.248 1.00 0.00 N ATOM 460 CA GLN A 32 -16.852 7.743 5.421 1.00 0.00 C ATOM 461 C GLN A 32 -15.374 7.445 5.647 1.00 0.00 C ATOM 462 O GLN A 32 -14.837 7.696 6.727 1.00 0.00 O ATOM 463 CB GLN A 32 -17.630 6.435 5.261 1.00 0.00 C ATOM 464 CG GLN A 32 -19.127 6.634 5.091 1.00 0.00 C ATOM 465 CD GLN A 32 -19.819 6.996 6.390 1.00 0.00 C ATOM 466 OE1 GLN A 32 -20.316 8.111 6.553 1.00 0.00 O ATOM 467 NE2 GLN A 32 -19.855 6.053 7.325 1.00 0.00 N ATOM 0 H GLN A 32 -17.038 8.086 3.360 1.00 0.00 H new ATOM 0 HA GLN A 32 -17.232 8.280 6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -17.243 5.895 4.396 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -17.452 5.807 6.134 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -19.304 7.421 4.358 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -19.568 5.721 4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -19.430 5.143 7.148 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -20.307 6.239 8.220 1.00 0.00 H new ATOM 476 N HIS A 33 -14.720 6.908 4.622 1.00 0.00 N ATOM 477 CA HIS A 33 -13.302 6.576 4.709 1.00 0.00 C ATOM 478 C HIS A 33 -12.443 7.834 4.624 1.00 0.00 C ATOM 479 O HIS A 33 -11.215 7.757 4.573 1.00 0.00 O ATOM 480 CB HIS A 33 -12.915 5.603 3.595 1.00 0.00 C ATOM 481 CG HIS A 33 -13.473 4.226 3.781 1.00 0.00 C ATOM 482 ND1 HIS A 33 -13.121 3.407 4.833 1.00 0.00 N ATOM 483 CD2 HIS A 33 -14.365 3.525 3.042 1.00 0.00 C ATOM 484 CE1 HIS A 33 -13.771 2.262 4.733 1.00 0.00 C ATOM 485 NE2 HIS A 33 -14.533 2.308 3.655 1.00 0.00 N ATOM 0 H HIS A 33 -15.149 6.693 3.722 1.00 0.00 H new ATOM 0 HA HIS A 33 -13.124 6.101 5.674 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -13.261 6.000 2.641 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -11.828 5.541 3.539 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -14.853 3.860 2.139 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.693 1.429 5.416 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -15.147 1.561 3.331 1.00 0.00 H new ATOM 579 N PHE A 39 -3.481 8.175 5.257 1.00 0.00 N ATOM 580 CA PHE A 39 -3.959 7.219 4.266 1.00 0.00 C ATOM 581 C PHE A 39 -2.947 6.095 4.063 1.00 0.00 C ATOM 582 O PHE A 39 -1.742 6.294 4.216 1.00 0.00 O ATOM 583 CB PHE A 39 -4.229 7.924 2.935 1.00 0.00 C ATOM 584 CG PHE A 39 -3.157 8.902 2.546 1.00 0.00 C ATOM 585 CD1 PHE A 39 -1.961 8.459 2.004 1.00 0.00 C ATOM 586 CD2 PHE A 39 -3.346 10.263 2.721 1.00 0.00 C ATOM 587 CE1 PHE A 39 -0.973 9.356 1.646 1.00 0.00 C ATOM 588 CE2 PHE A 39 -2.361 11.165 2.365 1.00 0.00 C ATOM 589 CZ PHE A 39 -1.174 10.711 1.826 1.00 0.00 C ATOM 0 HA PHE A 39 -4.889 6.785 4.635 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.328 7.175 2.150 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.183 8.448 2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.799 7.401 1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.274 10.624 3.140 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.045 8.998 1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.520 12.224 2.508 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.404 11.414 1.545 1.00 0.00 H new ATOM 599 N SER A 40 -3.446 4.913 3.717 1.00 0.00 N ATOM 600 CA SER A 40 -2.588 3.755 3.497 1.00 0.00 C ATOM 601 C SER A 40 -2.789 3.187 2.095 1.00 0.00 C ATOM 602 O SER A 40 -3.856 3.340 1.499 1.00 0.00 O ATOM 603 CB SER A 40 -2.874 2.675 4.542 1.00 0.00 C ATOM 604 OG SER A 40 -2.777 3.198 5.856 1.00 0.00 O ATOM 0 H SER A 40 -4.441 4.732 3.583 1.00 0.00 H new ATOM 0 HA SER A 40 -1.552 4.079 3.594 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.872 2.266 4.383 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.169 1.852 4.422 1.00 0.00 H new ATOM 0 HG SER A 40 -2.966 2.489 6.505 1.00 0.00 H new ATOM 610 N CYS A 41 -1.757 2.533 1.575 1.00 0.00 N ATOM 611 CA CYS A 41 -1.818 1.942 0.243 1.00 0.00 C ATOM 612 C CYS A 41 -2.635 0.653 0.257 1.00 0.00 C ATOM 613 O CYS A 41 -2.482 -0.199 1.132 1.00 0.00 O ATOM 614 CB CYS A 41 -0.407 1.660 -0.277 1.00 0.00 C ATOM 615 SG CYS A 41 -0.359 1.006 -1.977 1.00 0.00 S ATOM 0 H CYS A 41 -0.867 2.398 2.055 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.307 2.654 -0.422 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.175 2.581 -0.237 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.079 0.947 0.389 1.00 0.00 H new ATOM 0 HG CYS A 41 0.754 1.362 -2.548 1.00 0.00 H new ATOM 620 N PRO A 42 -3.523 0.506 -0.737 1.00 0.00 N ATOM 621 CA PRO A 42 -4.381 -0.676 -0.863 1.00 0.00 C ATOM 622 C PRO A 42 -3.595 -1.925 -1.248 1.00 0.00 C ATOM 623 O PRO A 42 -4.170 -2.995 -1.443 1.00 0.00 O ATOM 624 CB PRO A 42 -5.355 -0.291 -1.980 1.00 0.00 C ATOM 625 CG PRO A 42 -4.622 0.725 -2.786 1.00 0.00 C ATOM 626 CD PRO A 42 -3.759 1.481 -1.815 1.00 0.00 C ATOM 0 HA PRO A 42 -4.869 -0.927 0.079 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.626 -1.156 -2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.281 0.117 -1.575 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.016 0.248 -3.557 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.316 1.394 -3.294 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.826 1.805 -2.275 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.259 2.376 -1.445 1.00 0.00 H new ATOM 634 N GLU A 43 -2.278 -1.780 -1.356 1.00 0.00 N ATOM 635 CA GLU A 43 -1.415 -2.897 -1.719 1.00 0.00 C ATOM 636 C GLU A 43 -0.880 -3.599 -0.474 1.00 0.00 C ATOM 637 O GLU A 43 -0.295 -2.980 0.415 1.00 0.00 O ATOM 638 CB GLU A 43 -0.249 -2.410 -2.583 1.00 0.00 C ATOM 639 CG GLU A 43 -0.659 -2.017 -3.992 1.00 0.00 C ATOM 640 CD GLU A 43 -0.588 -3.177 -4.966 1.00 0.00 C ATOM 641 OE1 GLU A 43 -0.784 -4.331 -4.531 1.00 0.00 O ATOM 642 OE2 GLU A 43 -0.336 -2.930 -6.164 1.00 0.00 O ATOM 0 H GLU A 43 -1.786 -0.901 -1.197 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.009 -3.610 -2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.219 -1.554 -2.098 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.504 -3.196 -2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.676 -1.624 -3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.013 -1.213 -4.343 1.00 0.00 H new ATOM 649 N PRO A 44 -1.086 -4.922 -0.406 1.00 0.00 N ATOM 650 CA PRO A 44 -0.633 -5.737 0.725 1.00 0.00 C ATOM 651 C PRO A 44 0.885 -5.872 0.771 1.00 0.00 C ATOM 652 O PRO A 44 1.506 -5.643 1.808 1.00 0.00 O ATOM 653 CB PRO A 44 -1.283 -7.099 0.464 1.00 0.00 C ATOM 654 CG PRO A 44 -1.493 -7.141 -1.010 1.00 0.00 C ATOM 655 CD PRO A 44 -1.776 -5.725 -1.430 1.00 0.00 C ATOM 0 HA PRO A 44 -0.908 -5.294 1.682 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.641 -7.915 0.796 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.226 -7.197 1.001 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.611 -7.530 -1.519 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.324 -7.798 -1.267 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.393 -5.518 -2.429 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.846 -5.518 -1.450 1.00 0.00 H new ATOM 663 N ALA A 45 1.476 -6.245 -0.359 1.00 0.00 N ATOM 664 CA ALA A 45 2.922 -6.407 -0.447 1.00 0.00 C ATOM 665 C ALA A 45 3.640 -5.088 -0.181 1.00 0.00 C ATOM 666 O ALA A 45 4.623 -5.044 0.560 1.00 0.00 O ATOM 667 CB ALA A 45 3.309 -6.954 -1.813 1.00 0.00 C ATOM 0 H ALA A 45 0.976 -6.441 -1.226 1.00 0.00 H new ATOM 0 HA ALA A 45 3.230 -7.119 0.319 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.392 -7.070 -1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.832 -7.922 -1.965 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.981 -6.262 -2.588 1.00 0.00 H new ATOM 673 N CYS A 46 3.144 -4.016 -0.789 1.00 0.00 N ATOM 674 CA CYS A 46 3.738 -2.696 -0.619 1.00 0.00 C ATOM 675 C CYS A 46 3.493 -2.167 0.791 1.00 0.00 C ATOM 676 O CYS A 46 4.430 -1.813 1.505 1.00 0.00 O ATOM 677 CB CYS A 46 3.167 -1.720 -1.648 1.00 0.00 C ATOM 678 SG CYS A 46 3.251 0.028 -1.142 1.00 0.00 S ATOM 0 H CYS A 46 2.331 -4.036 -1.405 1.00 0.00 H new ATOM 0 HA CYS A 46 4.813 -2.787 -0.773 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.707 -1.842 -2.587 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.127 -1.981 -1.842 1.00 0.00 H new ATOM 0 HG CYS A 46 2.081 0.577 -1.281 1.00 0.00 H new ATOM 683 N GLY A 47 2.224 -2.117 1.186 1.00 0.00 N ATOM 684 CA GLY A 47 1.877 -1.630 2.509 1.00 0.00 C ATOM 685 C GLY A 47 2.676 -0.404 2.903 1.00 0.00 C ATOM 686 O GLY A 47 3.591 -0.486 3.723 1.00 0.00 O ATOM 0 H GLY A 47 1.430 -2.405 0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.814 -1.392 2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.046 -2.421 3.240 1.00 0.00 H new ATOM 690 N LYS A 48 2.333 0.738 2.317 1.00 0.00 N ATOM 691 CA LYS A 48 3.024 1.988 2.611 1.00 0.00 C ATOM 692 C LYS A 48 2.027 3.113 2.869 1.00 0.00 C ATOM 693 O LYS A 48 0.908 3.094 2.357 1.00 0.00 O ATOM 694 CB LYS A 48 3.949 2.367 1.452 1.00 0.00 C ATOM 695 CG LYS A 48 5.231 1.554 1.406 1.00 0.00 C ATOM 696 CD LYS A 48 6.330 2.287 0.656 1.00 0.00 C ATOM 697 CE LYS A 48 7.158 3.157 1.591 1.00 0.00 C ATOM 698 NZ LYS A 48 6.348 4.251 2.193 1.00 0.00 N ATOM 0 H LYS A 48 1.580 0.824 1.635 1.00 0.00 H new ATOM 0 HA LYS A 48 3.621 1.842 3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.412 2.237 0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.202 3.424 1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.563 1.339 2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.038 0.595 0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.978 1.564 0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.889 2.907 -0.124 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.580 2.539 2.384 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.996 3.586 1.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.976 4.918 2.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.830 4.752 1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.671 3.848 2.872 1.00 0.00 H new ATOM 712 N SER A 49 2.442 4.094 3.665 1.00 0.00 N ATOM 713 CA SER A 49 1.584 5.227 3.992 1.00 0.00 C ATOM 714 C SER A 49 2.380 6.529 3.990 1.00 0.00 C ATOM 715 O SER A 49 3.551 6.554 4.368 1.00 0.00 O ATOM 716 CB SER A 49 0.928 5.019 5.359 1.00 0.00 C ATOM 717 OG SER A 49 0.224 6.178 5.768 1.00 0.00 O ATOM 0 H SER A 49 3.366 4.127 4.095 1.00 0.00 H new ATOM 0 HA SER A 49 0.807 5.295 3.231 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.244 4.172 5.312 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.690 4.773 6.098 1.00 0.00 H new ATOM 0 HG SER A 49 -0.336 6.498 5.030 1.00 0.00 H new ATOM 723 N PHE A 50 1.734 7.608 3.562 1.00 0.00 N ATOM 724 CA PHE A 50 2.380 8.915 3.510 1.00 0.00 C ATOM 725 C PHE A 50 1.483 9.990 4.115 1.00 0.00 C ATOM 726 O PHE A 50 0.266 9.827 4.191 1.00 0.00 O ATOM 727 CB PHE A 50 2.727 9.278 2.064 1.00 0.00 C ATOM 728 CG PHE A 50 3.309 8.135 1.282 1.00 0.00 C ATOM 729 CD1 PHE A 50 2.516 7.064 0.901 1.00 0.00 C ATOM 730 CD2 PHE A 50 4.648 8.130 0.929 1.00 0.00 C ATOM 731 CE1 PHE A 50 3.047 6.011 0.181 1.00 0.00 C ATOM 732 CE2 PHE A 50 5.185 7.080 0.208 1.00 0.00 C ATOM 733 CZ PHE A 50 4.384 6.019 -0.165 1.00 0.00 C ATOM 0 H PHE A 50 0.764 7.604 3.246 1.00 0.00 H new ATOM 0 HA PHE A 50 3.298 8.862 4.095 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.827 9.631 1.561 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.437 10.105 2.066 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.470 7.052 1.170 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.280 8.956 1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.418 5.183 -0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.230 7.090 -0.063 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.802 5.197 -0.726 1.00 0.00 H new ATOM 743 N ASN A 51 2.094 11.090 4.544 1.00 0.00 N ATOM 744 CA ASN A 51 1.351 12.192 5.144 1.00 0.00 C ATOM 745 C ASN A 51 0.750 13.091 4.068 1.00 0.00 C ATOM 746 O ASN A 51 -0.468 13.262 3.996 1.00 0.00 O ATOM 747 CB ASN A 51 2.264 13.012 6.058 1.00 0.00 C ATOM 748 CG ASN A 51 3.109 12.139 6.965 1.00 0.00 C ATOM 749 OD1 ASN A 51 2.634 11.641 7.985 1.00 0.00 O ATOM 750 ND2 ASN A 51 4.371 11.950 6.596 1.00 0.00 N ATOM 0 H ASN A 51 3.101 11.242 4.487 1.00 0.00 H new ATOM 0 HA ASN A 51 0.539 11.771 5.736 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.917 13.637 5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.657 13.683 6.666 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.988 11.372 7.167 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.723 12.383 5.742 1.00 0.00 H new ATOM 757 N PHE A 52 1.611 13.663 3.233 1.00 0.00 N ATOM 758 CA PHE A 52 1.165 14.545 2.161 1.00 0.00 C ATOM 759 C PHE A 52 0.527 13.746 1.028 1.00 0.00 C ATOM 760 O PHE A 52 1.065 12.729 0.591 1.00 0.00 O ATOM 761 CB PHE A 52 2.340 15.364 1.623 1.00 0.00 C ATOM 762 CG PHE A 52 2.638 16.591 2.436 1.00 0.00 C ATOM 763 CD1 PHE A 52 1.680 17.580 2.599 1.00 0.00 C ATOM 764 CD2 PHE A 52 3.875 16.757 3.038 1.00 0.00 C ATOM 765 CE1 PHE A 52 1.951 18.710 3.347 1.00 0.00 C ATOM 766 CE2 PHE A 52 4.151 17.885 3.787 1.00 0.00 C ATOM 767 CZ PHE A 52 3.188 18.864 3.941 1.00 0.00 C ATOM 0 H PHE A 52 2.621 13.532 3.278 1.00 0.00 H new ATOM 0 HA PHE A 52 0.416 15.222 2.571 1.00 0.00 H new ATOM 0 HB2 PHE A 52 3.228 14.733 1.593 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.125 15.661 0.597 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.711 17.466 2.136 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.632 15.996 2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.196 19.472 3.467 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.119 18.001 4.252 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.402 19.747 4.524 1.00 0.00 H new ATOM 777 N LYS A 53 -0.624 14.213 0.558 1.00 0.00 N ATOM 778 CA LYS A 53 -1.337 13.544 -0.524 1.00 0.00 C ATOM 779 C LYS A 53 -0.503 13.535 -1.801 1.00 0.00 C ATOM 780 O LYS A 53 -0.344 12.497 -2.444 1.00 0.00 O ATOM 781 CB LYS A 53 -2.678 14.235 -0.782 1.00 0.00 C ATOM 782 CG LYS A 53 -3.742 13.902 0.249 1.00 0.00 C ATOM 783 CD LYS A 53 -3.769 14.923 1.373 1.00 0.00 C ATOM 784 CE LYS A 53 -4.486 14.383 2.600 1.00 0.00 C ATOM 785 NZ LYS A 53 -4.676 15.433 3.639 1.00 0.00 N ATOM 0 H LYS A 53 -1.084 15.053 0.909 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.519 12.512 -0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.524 15.314 -0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.040 13.950 -1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.719 13.865 -0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.553 12.911 0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.749 15.200 1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.266 15.830 1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.456 13.983 2.307 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.914 13.556 3.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.168 15.025 4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.749 15.797 3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.244 16.211 3.247 1.00 0.00 H new ATOM 799 N LYS A 54 0.029 14.698 -2.163 1.00 0.00 N ATOM 800 CA LYS A 54 0.849 14.824 -3.362 1.00 0.00 C ATOM 801 C LYS A 54 1.814 13.649 -3.488 1.00 0.00 C ATOM 802 O LYS A 54 2.082 13.168 -4.589 1.00 0.00 O ATOM 803 CB LYS A 54 1.631 16.139 -3.333 1.00 0.00 C ATOM 804 CG LYS A 54 2.702 16.187 -2.257 1.00 0.00 C ATOM 805 CD LYS A 54 4.034 15.667 -2.773 1.00 0.00 C ATOM 806 CE LYS A 54 4.796 16.742 -3.531 1.00 0.00 C ATOM 807 NZ LYS A 54 5.669 17.543 -2.628 1.00 0.00 N ATOM 0 H LYS A 54 -0.093 15.567 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 54 0.186 14.821 -4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.098 16.296 -4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.934 16.963 -3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.822 17.212 -1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.385 15.592 -1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.637 15.314 -1.936 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.863 14.811 -3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.405 16.277 -4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.089 17.403 -4.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.172 18.265 -3.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.086 18.007 -1.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.360 16.917 -2.168 1.00 0.00 H new ATOM 821 N HIS A 55 2.332 13.191 -2.353 1.00 0.00 N ATOM 822 CA HIS A 55 3.265 12.070 -2.336 1.00 0.00 C ATOM 823 C HIS A 55 2.582 10.787 -2.800 1.00 0.00 C ATOM 824 O HIS A 55 3.068 10.104 -3.702 1.00 0.00 O ATOM 825 CB HIS A 55 3.838 11.877 -0.932 1.00 0.00 C ATOM 826 CG HIS A 55 5.223 11.306 -0.923 1.00 0.00 C ATOM 827 ND1 HIS A 55 5.483 9.960 -1.068 1.00 0.00 N ATOM 828 CD2 HIS A 55 6.428 11.908 -0.788 1.00 0.00 C ATOM 829 CE1 HIS A 55 6.787 9.758 -1.020 1.00 0.00 C ATOM 830 NE2 HIS A 55 7.384 10.924 -0.852 1.00 0.00 N ATOM 0 H HIS A 55 2.122 13.579 -1.433 1.00 0.00 H new ATOM 0 HA HIS A 55 4.079 12.297 -3.025 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.847 12.838 -0.417 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.179 11.218 -0.367 1.00 0.00 H new ATOM 0 HD1 HIS A 55 4.778 9.233 -1.193 1.00 0.00 H new ATOM 0 HD2 HIS A 55 6.605 12.965 -0.655 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.281 8.802 -1.104 1.00 0.00 H new ATOM 838 N LEU A 56 1.454 10.465 -2.177 1.00 0.00 N ATOM 839 CA LEU A 56 0.704 9.263 -2.526 1.00 0.00 C ATOM 840 C LEU A 56 0.454 9.194 -4.029 1.00 0.00 C ATOM 841 O LEU A 56 0.509 8.120 -4.630 1.00 0.00 O ATOM 842 CB LEU A 56 -0.628 9.233 -1.774 1.00 0.00 C ATOM 843 CG LEU A 56 -1.498 7.995 -1.998 1.00 0.00 C ATOM 844 CD1 LEU A 56 -0.879 6.780 -1.325 1.00 0.00 C ATOM 845 CD2 LEU A 56 -2.908 8.234 -1.480 1.00 0.00 C ATOM 0 H LEU A 56 1.039 11.019 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 56 1.298 8.397 -2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.422 9.319 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.204 10.113 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.554 7.802 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.511 5.909 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.111 6.597 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.792 6.962 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.513 7.343 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.871 8.452 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.351 9.078 -2.008 1.00 0.00 H new ATOM 857 N LYS A 57 0.182 10.346 -4.632 1.00 0.00 N ATOM 858 CA LYS A 57 -0.073 10.418 -6.066 1.00 0.00 C ATOM 859 C LYS A 57 1.044 9.738 -6.852 1.00 0.00 C ATOM 860 O LYS A 57 0.800 8.794 -7.603 1.00 0.00 O ATOM 861 CB LYS A 57 -0.206 11.877 -6.508 1.00 0.00 C ATOM 862 CG LYS A 57 -1.390 12.596 -5.885 1.00 0.00 C ATOM 863 CD LYS A 57 -2.696 12.206 -6.557 1.00 0.00 C ATOM 864 CE LYS A 57 -3.899 12.697 -5.766 1.00 0.00 C ATOM 865 NZ LYS A 57 -4.167 14.142 -6.005 1.00 0.00 N ATOM 0 H LYS A 57 0.132 11.243 -4.150 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.008 9.896 -6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.709 12.411 -6.250 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.301 11.912 -7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.442 12.360 -4.822 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.246 13.673 -5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.727 12.623 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.744 11.122 -6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.778 12.114 -6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.727 12.530 -4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.994 14.438 -5.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.338 14.701 -5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.356 14.297 -7.016 1.00 0.00 H new ATOM 879 N GLU A 58 2.268 10.222 -6.671 1.00 0.00 N ATOM 880 CA GLU A 58 3.422 9.659 -7.364 1.00 0.00 C ATOM 881 C GLU A 58 3.711 8.243 -6.876 1.00 0.00 C ATOM 882 O GLU A 58 4.432 7.485 -7.526 1.00 0.00 O ATOM 883 CB GLU A 58 4.652 10.544 -7.154 1.00 0.00 C ATOM 884 CG GLU A 58 4.438 11.992 -7.561 1.00 0.00 C ATOM 885 CD GLU A 58 3.961 12.130 -8.994 1.00 0.00 C ATOM 886 OE1 GLU A 58 4.809 12.077 -9.909 1.00 0.00 O ATOM 887 OE2 GLU A 58 2.740 12.292 -9.200 1.00 0.00 O ATOM 0 H GLU A 58 2.487 11.002 -6.051 1.00 0.00 H new ATOM 0 HA GLU A 58 3.191 9.618 -8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.938 10.510 -6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.485 10.134 -7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.708 12.449 -6.893 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.371 12.542 -7.438 1.00 0.00 H new ATOM 894 N HIS A 59 3.143 7.892 -5.726 1.00 0.00 N ATOM 895 CA HIS A 59 3.340 6.566 -5.150 1.00 0.00 C ATOM 896 C HIS A 59 2.453 5.536 -5.842 1.00 0.00 C ATOM 897 O HIS A 59 2.767 4.346 -5.864 1.00 0.00 O ATOM 898 CB HIS A 59 3.040 6.589 -3.651 1.00 0.00 C ATOM 899 CG HIS A 59 2.989 5.227 -3.029 1.00 0.00 C ATOM 900 ND1 HIS A 59 4.111 4.453 -2.821 1.00 0.00 N ATOM 901 CD2 HIS A 59 1.943 4.503 -2.568 1.00 0.00 C ATOM 902 CE1 HIS A 59 3.757 3.310 -2.260 1.00 0.00 C ATOM 903 NE2 HIS A 59 2.446 3.316 -2.096 1.00 0.00 N ATOM 0 H HIS A 59 2.543 8.507 -5.175 1.00 0.00 H new ATOM 0 HA HIS A 59 4.382 6.282 -5.301 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.802 7.182 -3.145 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.086 7.090 -3.487 1.00 0.00 H new ATOM 0 HD1 HIS A 59 5.065 4.721 -3.062 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.906 4.803 -2.571 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.425 2.508 -1.983 1.00 0.00 H new ATOM 911 N MET A 60 1.343 6.001 -6.407 1.00 0.00 N ATOM 912 CA MET A 60 0.411 5.120 -7.100 1.00 0.00 C ATOM 913 C MET A 60 0.860 4.877 -8.538 1.00 0.00 C ATOM 914 O MET A 60 0.929 3.735 -8.993 1.00 0.00 O ATOM 915 CB MET A 60 -0.996 5.719 -7.088 1.00 0.00 C ATOM 916 CG MET A 60 -1.698 5.594 -5.745 1.00 0.00 C ATOM 917 SD MET A 60 -2.073 3.884 -5.314 1.00 0.00 S ATOM 918 CE MET A 60 -1.865 3.929 -3.536 1.00 0.00 C ATOM 0 H MET A 60 1.068 6.983 -6.398 1.00 0.00 H new ATOM 0 HA MET A 60 0.396 4.164 -6.576 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.936 6.773 -7.361 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.598 5.226 -7.851 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.070 6.031 -4.969 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.623 6.170 -5.768 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.004 3.323 -3.255 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.705 4.958 -3.214 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.760 3.534 -3.055 1.00 0.00 H new ATOM 928 N LYS A 61 1.164 5.957 -9.249 1.00 0.00 N ATOM 929 CA LYS A 61 1.608 5.862 -10.635 1.00 0.00 C ATOM 930 C LYS A 61 2.784 4.900 -10.765 1.00 0.00 C ATOM 931 O LYS A 61 2.876 4.143 -11.732 1.00 0.00 O ATOM 932 CB LYS A 61 2.004 7.244 -11.160 1.00 0.00 C ATOM 933 CG LYS A 61 3.217 7.835 -10.463 1.00 0.00 C ATOM 934 CD LYS A 61 3.423 9.292 -10.844 1.00 0.00 C ATOM 935 CE LYS A 61 3.918 9.429 -12.276 1.00 0.00 C ATOM 936 NZ LYS A 61 5.395 9.264 -12.370 1.00 0.00 N ATOM 0 H LYS A 61 1.111 6.910 -8.888 1.00 0.00 H new ATOM 0 HA LYS A 61 0.780 5.477 -11.231 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.208 7.173 -12.228 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.160 7.924 -11.041 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.093 7.754 -9.383 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.105 7.260 -10.726 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.485 9.835 -10.728 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.142 9.749 -10.164 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.429 8.683 -12.902 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.636 10.407 -12.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.693 9.364 -13.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.863 9.991 -11.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.662 8.321 -12.022 1.00 0.00 H new ATOM 950 N LEU A 62 3.681 4.934 -9.785 1.00 0.00 N ATOM 951 CA LEU A 62 4.852 4.064 -9.789 1.00 0.00 C ATOM 952 C LEU A 62 4.439 2.596 -9.824 1.00 0.00 C ATOM 953 O LEU A 62 5.021 1.793 -10.554 1.00 0.00 O ATOM 954 CB LEU A 62 5.717 4.333 -8.557 1.00 0.00 C ATOM 955 CG LEU A 62 5.414 3.479 -7.325 1.00 0.00 C ATOM 956 CD1 LEU A 62 5.974 2.076 -7.498 1.00 0.00 C ATOM 957 CD2 LEU A 62 5.982 4.131 -6.072 1.00 0.00 C ATOM 0 H LEU A 62 3.620 5.555 -8.978 1.00 0.00 H new ATOM 0 HA LEU A 62 5.432 4.281 -10.686 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.761 4.182 -8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.608 5.382 -8.283 1.00 0.00 H new ATOM 0 HG LEU A 62 4.332 3.405 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.749 1.483 -6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.521 1.609 -8.372 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.054 2.130 -7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.757 3.510 -5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.062 4.235 -6.174 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.534 5.116 -5.939 1.00 0.00 H new ATOM 969 N HIS A 63 3.429 2.252 -9.030 1.00 0.00 N ATOM 970 CA HIS A 63 2.936 0.880 -8.972 1.00 0.00 C ATOM 971 C HIS A 63 2.617 0.358 -10.369 1.00 0.00 C ATOM 972 O HIS A 63 2.804 -0.824 -10.658 1.00 0.00 O ATOM 973 CB HIS A 63 1.691 0.801 -8.089 1.00 0.00 C ATOM 974 CG HIS A 63 1.994 0.820 -6.622 1.00 0.00 C ATOM 975 ND1 HIS A 63 2.920 -0.016 -6.034 1.00 0.00 N ATOM 976 CD2 HIS A 63 1.490 1.581 -5.623 1.00 0.00 C ATOM 977 CE1 HIS A 63 2.970 0.229 -4.737 1.00 0.00 C ATOM 978 NE2 HIS A 63 2.112 1.194 -4.462 1.00 0.00 N ATOM 0 H HIS A 63 2.937 2.904 -8.419 1.00 0.00 H new ATOM 0 HA HIS A 63 3.719 0.256 -8.540 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.034 1.637 -8.327 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.144 -0.112 -8.327 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.479 -0.714 -6.524 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.738 2.350 -5.721 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.605 -0.274 -4.023 1.00 0.00 H new