USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 637 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 71 ASN : amide:sc= -0.914 K(o=-6.1,f=-7.5!) USER MOD Set 1.2: A 93 ASN : amide:sc= -5.2! C(o=-6.1!,f=-12!) USER MOD Set 2.1: A 64 HIS : no HD1:sc= -0.557 X(o=-3.4,f=-3.2) USER MOD Set 2.2: A 90 MET CE :methyl -173:sc= -2.84 (180deg=-3.04!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.9 K(o=-0.9,f=-2.6!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 101:sc= 0.0631 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 14:sc= -0.516! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.0456) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0916 USER MOD Single : A 43 ASN : amide:sc=-0.00202 X(o=-0.002,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0277) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -3.8 K(o=-3.8,f=-10!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.239) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 171:sc= 0.0294 (180deg=0.0208) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS :FLIP no HE2:sc= -0.132 F(o=-1,f=-0.13) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 145:sc= -1.24 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -3.123 12.647 4.240 1.00 0.00 N ATOM 91 CA VAL A 7 -4.109 11.962 3.420 1.00 0.00 C ATOM 92 C VAL A 7 -4.385 10.579 4.013 1.00 0.00 C ATOM 93 O VAL A 7 -5.463 10.020 3.817 1.00 0.00 O ATOM 94 CB VAL A 7 -3.633 11.906 1.967 1.00 0.00 C ATOM 95 CG1 VAL A 7 -2.389 11.025 1.831 1.00 0.00 C ATOM 96 CG2 VAL A 7 -4.752 11.422 1.043 1.00 0.00 C ATOM 0 HA VAL A 7 -5.052 12.509 3.418 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.361 12.917 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.071 11.002 0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.586 11.432 2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.622 10.013 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.388 11.391 0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.068 10.424 1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.598 12.106 1.108 1.00 0.00 H new ATOM 106 N ASP A 8 -3.393 10.066 4.725 1.00 0.00 N ATOM 107 CA ASP A 8 -3.516 8.759 5.347 1.00 0.00 C ATOM 108 C ASP A 8 -4.237 7.809 4.389 1.00 0.00 C ATOM 109 O ASP A 8 -5.453 7.646 4.469 1.00 0.00 O ATOM 110 CB ASP A 8 -4.333 8.838 6.638 1.00 0.00 C ATOM 111 CG ASP A 8 -3.517 8.727 7.928 1.00 0.00 C ATOM 112 OD1 ASP A 8 -2.967 7.628 8.159 1.00 0.00 O ATOM 113 OD2 ASP A 8 -3.461 9.743 8.654 1.00 0.00 O ATOM 0 H ASP A 8 -2.500 10.532 4.885 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.513 8.399 5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.876 9.783 6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.078 8.043 6.628 1.00 0.00 H new ATOM 118 N CYS A 9 -3.455 7.206 3.505 1.00 0.00 N ATOM 119 CA CYS A 9 -4.004 6.276 2.532 1.00 0.00 C ATOM 120 C CYS A 9 -5.028 5.388 3.242 1.00 0.00 C ATOM 121 O CYS A 9 -6.232 5.548 3.050 1.00 0.00 O ATOM 122 CB CYS A 9 -2.906 5.453 1.855 1.00 0.00 C ATOM 123 SG CYS A 9 -1.455 6.420 1.298 1.00 0.00 S ATOM 0 H CYS A 9 -2.446 7.343 3.442 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.497 6.829 1.733 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.568 4.684 2.549 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.335 4.939 0.995 1.00 0.00 H new ATOM 128 N LYS A 10 -4.511 4.470 4.046 1.00 0.00 N ATOM 129 CA LYS A 10 -5.366 3.556 4.784 1.00 0.00 C ATOM 130 C LYS A 10 -6.537 3.131 3.897 1.00 0.00 C ATOM 131 O LYS A 10 -6.363 2.343 2.969 1.00 0.00 O ATOM 132 CB LYS A 10 -5.796 4.181 6.113 1.00 0.00 C ATOM 133 CG LYS A 10 -6.731 3.245 6.882 1.00 0.00 C ATOM 134 CD LYS A 10 -6.352 3.186 8.363 1.00 0.00 C ATOM 135 CE LYS A 10 -6.214 1.737 8.836 1.00 0.00 C ATOM 136 NZ LYS A 10 -7.520 1.215 9.295 1.00 0.00 N ATOM 0 H LYS A 10 -3.511 4.340 4.202 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.819 2.650 5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.916 4.399 6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.298 5.130 5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.760 3.589 6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.685 2.245 6.451 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.413 3.716 8.523 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.111 3.696 8.957 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.833 1.118 8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.488 1.681 9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.408 0.231 9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.868 1.796 10.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.203 1.251 8.511 1.00 0.00 H new ATOM 150 N GLY A 11 -7.705 3.671 4.214 1.00 0.00 N ATOM 151 CA GLY A 11 -8.905 3.356 3.458 1.00 0.00 C ATOM 152 C GLY A 11 -8.627 3.382 1.953 1.00 0.00 C ATOM 153 O GLY A 11 -8.885 2.403 1.254 1.00 0.00 O ATOM 0 H GLY A 11 -7.846 4.325 4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.273 2.371 3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.690 4.073 3.699 1.00 0.00 H new ATOM 157 N GLN A 12 -8.104 4.512 1.500 1.00 0.00 N ATOM 158 CA GLN A 12 -7.788 4.678 0.091 1.00 0.00 C ATOM 159 C GLN A 12 -7.115 3.417 -0.454 1.00 0.00 C ATOM 160 O GLN A 12 -7.200 3.129 -1.647 1.00 0.00 O ATOM 161 CB GLN A 12 -6.909 5.909 -0.132 1.00 0.00 C ATOM 162 CG GLN A 12 -7.760 7.174 -0.265 1.00 0.00 C ATOM 163 CD GLN A 12 -7.592 8.078 0.958 1.00 0.00 C ATOM 164 OE1 GLN A 12 -6.921 7.745 1.921 1.00 0.00 O ATOM 165 NE2 GLN A 12 -8.238 9.237 0.867 1.00 0.00 N ATOM 0 H GLN A 12 -7.891 5.321 2.083 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.719 4.834 -0.454 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.214 6.020 0.701 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.309 5.774 -1.032 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.473 7.717 -1.165 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.809 6.901 -0.379 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.782 9.453 0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.189 9.910 1.632 1.00 0.00 H new ATOM 174 N CYS A 13 -6.460 2.698 0.446 1.00 0.00 N ATOM 175 CA CYS A 13 -5.772 1.474 0.071 1.00 0.00 C ATOM 176 C CYS A 13 -6.604 0.286 0.558 1.00 0.00 C ATOM 177 O CYS A 13 -6.111 -0.556 1.306 1.00 0.00 O ATOM 178 CB CYS A 13 -4.345 1.436 0.622 1.00 0.00 C ATOM 179 SG CYS A 13 -3.153 2.511 -0.258 1.00 0.00 S ATOM 0 H CYS A 13 -6.391 2.940 1.435 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.674 1.427 -1.014 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.368 1.727 1.672 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.983 0.409 0.584 1.00 0.00 H new ATOM 184 N THR A 14 -7.852 0.257 0.114 1.00 0.00 N ATOM 185 CA THR A 14 -8.757 -0.813 0.495 1.00 0.00 C ATOM 186 C THR A 14 -9.080 -1.694 -0.713 1.00 0.00 C ATOM 187 O THR A 14 -9.083 -2.920 -0.609 1.00 0.00 O ATOM 188 CB THR A 14 -9.995 -0.181 1.134 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.662 -0.085 2.516 1.00 0.00 O ATOM 190 CG2 THR A 14 -11.209 -1.112 1.108 1.00 0.00 C ATOM 0 H THR A 14 -8.257 0.958 -0.506 1.00 0.00 H new ATOM 0 HA THR A 14 -8.298 -1.476 1.228 1.00 0.00 H new ATOM 0 HB THR A 14 -10.237 0.746 0.614 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.410 0.316 3.006 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.059 -0.614 1.574 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.455 -1.361 0.076 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.979 -2.026 1.656 1.00 0.00 H new ATOM 198 N THR A 15 -9.345 -1.036 -1.832 1.00 0.00 N ATOM 199 CA THR A 15 -9.668 -1.744 -3.059 1.00 0.00 C ATOM 200 C THR A 15 -8.444 -2.504 -3.574 1.00 0.00 C ATOM 201 O THR A 15 -8.542 -3.679 -3.924 1.00 0.00 O ATOM 202 CB THR A 15 -10.217 -0.726 -4.061 1.00 0.00 C ATOM 203 OG1 THR A 15 -11.630 -0.893 -3.986 1.00 0.00 O ATOM 204 CG2 THR A 15 -9.876 -1.087 -5.508 1.00 0.00 C ATOM 0 H THR A 15 -9.343 -0.019 -1.915 1.00 0.00 H new ATOM 0 HA THR A 15 -10.434 -2.501 -2.889 1.00 0.00 H new ATOM 0 HB THR A 15 -9.819 0.262 -3.830 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.066 -0.269 -4.603 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.289 -0.333 -6.178 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.793 -1.126 -5.628 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.303 -2.060 -5.750 1.00 0.00 H new ATOM 212 N PRO A 16 -7.291 -1.784 -3.605 1.00 0.00 N ATOM 213 CA PRO A 16 -6.050 -2.379 -4.072 1.00 0.00 C ATOM 214 C PRO A 16 -5.469 -3.329 -3.023 1.00 0.00 C ATOM 215 O PRO A 16 -4.531 -4.073 -3.306 1.00 0.00 O ATOM 216 CB PRO A 16 -5.139 -1.200 -4.375 1.00 0.00 C ATOM 217 CG PRO A 16 -5.731 -0.013 -3.632 1.00 0.00 C ATOM 218 CD PRO A 16 -7.139 -0.390 -3.198 1.00 0.00 C ATOM 0 HA PRO A 16 -6.187 -2.998 -4.959 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.120 -1.399 -4.044 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.094 -1.007 -5.447 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.119 0.239 -2.766 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.752 0.867 -4.274 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.266 -0.276 -2.121 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.884 0.246 -3.676 1.00 0.00 H new ATOM 226 N CYS A 17 -6.051 -3.273 -1.833 1.00 0.00 N ATOM 227 CA CYS A 17 -5.602 -4.120 -0.741 1.00 0.00 C ATOM 228 C CYS A 17 -6.793 -4.949 -0.256 1.00 0.00 C ATOM 229 O CYS A 17 -6.766 -5.497 0.845 1.00 0.00 O ATOM 230 CB CYS A 17 -4.979 -3.301 0.391 1.00 0.00 C ATOM 231 SG CYS A 17 -3.744 -2.062 -0.149 1.00 0.00 S ATOM 0 H CYS A 17 -6.829 -2.655 -1.602 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.815 -4.787 -1.094 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.775 -2.788 0.931 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.504 -3.984 1.096 1.00 0.00 H new ATOM 236 N GLU A 18 -7.811 -5.016 -1.102 1.00 0.00 N ATOM 237 CA GLU A 18 -9.009 -5.769 -0.773 1.00 0.00 C ATOM 238 C GLU A 18 -8.727 -7.271 -0.842 1.00 0.00 C ATOM 239 O GLU A 18 -9.013 -8.004 0.104 1.00 0.00 O ATOM 240 CB GLU A 18 -10.168 -5.386 -1.696 1.00 0.00 C ATOM 241 CG GLU A 18 -11.351 -4.840 -0.894 1.00 0.00 C ATOM 242 CD GLU A 18 -12.647 -4.924 -1.702 1.00 0.00 C ATOM 243 OE1 GLU A 18 -12.633 -4.429 -2.849 1.00 0.00 O ATOM 244 OE2 GLU A 18 -13.622 -5.482 -1.154 1.00 0.00 O ATOM 0 H GLU A 18 -7.830 -4.561 -2.015 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.302 -5.520 0.247 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.834 -4.637 -2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.484 -6.257 -2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.459 -5.405 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.159 -3.804 -0.615 1.00 0.00 H new ATOM 251 N PRO A 19 -8.155 -7.696 -2.000 1.00 0.00 N ATOM 252 CA PRO A 19 -7.832 -9.098 -2.204 1.00 0.00 C ATOM 253 C PRO A 19 -6.590 -9.496 -1.404 1.00 0.00 C ATOM 254 O PRO A 19 -6.522 -10.599 -0.863 1.00 0.00 O ATOM 255 CB PRO A 19 -7.643 -9.244 -3.705 1.00 0.00 C ATOM 256 CG PRO A 19 -7.410 -7.838 -4.234 1.00 0.00 C ATOM 257 CD PRO A 19 -7.803 -6.858 -3.141 1.00 0.00 C ATOM 0 HA PRO A 19 -8.616 -9.766 -1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.796 -9.892 -3.931 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.521 -9.695 -4.167 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.364 -7.702 -4.510 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.002 -7.665 -5.133 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.981 -6.185 -2.899 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.644 -6.237 -3.450 1.00 0.00 H new ATOM 265 N LEU A 20 -5.637 -8.577 -1.354 1.00 0.00 N ATOM 266 CA LEU A 20 -4.401 -8.818 -0.629 1.00 0.00 C ATOM 267 C LEU A 20 -4.727 -9.160 0.826 1.00 0.00 C ATOM 268 O LEU A 20 -4.370 -10.233 1.310 1.00 0.00 O ATOM 269 CB LEU A 20 -3.449 -7.630 -0.784 1.00 0.00 C ATOM 270 CG LEU A 20 -2.504 -7.371 0.392 1.00 0.00 C ATOM 271 CD1 LEU A 20 -1.365 -8.392 0.415 1.00 0.00 C ATOM 272 CD2 LEU A 20 -1.984 -5.932 0.370 1.00 0.00 C ATOM 0 H LEU A 20 -5.696 -7.664 -1.804 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.874 -9.675 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.848 -7.786 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.044 -6.732 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.067 -7.496 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.708 -8.185 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.778 -9.396 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.796 -8.323 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.315 -5.774 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.442 -5.755 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.824 -5.241 0.438 1.00 0.00 H new ATOM 284 N THR A 21 -5.400 -8.227 1.483 1.00 0.00 N ATOM 285 CA THR A 21 -5.778 -8.416 2.873 1.00 0.00 C ATOM 286 C THR A 21 -6.477 -9.765 3.057 1.00 0.00 C ATOM 287 O THR A 21 -6.099 -10.550 3.926 1.00 0.00 O ATOM 288 CB THR A 21 -6.638 -7.224 3.296 1.00 0.00 C ATOM 289 OG1 THR A 21 -5.693 -6.194 3.572 1.00 0.00 O ATOM 290 CG2 THR A 21 -7.340 -7.454 4.636 1.00 0.00 C ATOM 0 H THR A 21 -5.693 -7.338 1.078 1.00 0.00 H new ATOM 0 HA THR A 21 -4.901 -8.448 3.520 1.00 0.00 H new ATOM 0 HB THR A 21 -7.383 -7.023 2.526 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.648 -5.579 2.811 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.937 -6.578 4.889 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.989 -8.326 4.562 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.594 -7.622 5.413 1.00 0.00 H new ATOM 298 N ALA A 22 -7.483 -9.993 2.226 1.00 0.00 N ATOM 299 CA ALA A 22 -8.237 -11.233 2.286 1.00 0.00 C ATOM 300 C ALA A 22 -7.272 -12.417 2.208 1.00 0.00 C ATOM 301 O ALA A 22 -7.517 -13.463 2.807 1.00 0.00 O ATOM 302 CB ALA A 22 -9.276 -11.253 1.163 1.00 0.00 C ATOM 0 H ALA A 22 -7.794 -9.339 1.507 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.775 -11.309 3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.842 -12.183 1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.955 -10.409 1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.772 -11.181 0.199 1.00 0.00 H new ATOM 308 N CYS A 23 -6.194 -12.212 1.465 1.00 0.00 N ATOM 309 CA CYS A 23 -5.190 -13.250 1.301 1.00 0.00 C ATOM 310 C CYS A 23 -4.554 -13.523 2.666 1.00 0.00 C ATOM 311 O CYS A 23 -4.619 -14.642 3.173 1.00 0.00 O ATOM 312 CB CYS A 23 -4.145 -12.866 0.251 1.00 0.00 C ATOM 313 SG CYS A 23 -3.411 -14.277 -0.653 1.00 0.00 S ATOM 0 H CYS A 23 -5.994 -11.343 0.970 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.662 -14.161 0.932 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -4.606 -12.191 -0.470 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.345 -12.311 0.741 1.00 0.00 H new ATOM 318 N LYS A 24 -3.952 -12.481 3.221 1.00 0.00 N ATOM 319 CA LYS A 24 -3.305 -12.594 4.517 1.00 0.00 C ATOM 320 C LYS A 24 -4.276 -13.229 5.514 1.00 0.00 C ATOM 321 O LYS A 24 -3.913 -14.156 6.236 1.00 0.00 O ATOM 322 CB LYS A 24 -2.764 -11.236 4.966 1.00 0.00 C ATOM 323 CG LYS A 24 -1.273 -11.106 4.646 1.00 0.00 C ATOM 324 CD LYS A 24 -0.951 -9.720 4.084 1.00 0.00 C ATOM 325 CE LYS A 24 -0.162 -8.887 5.095 1.00 0.00 C ATOM 326 NZ LYS A 24 -0.622 -7.481 5.081 1.00 0.00 N ATOM 0 H LYS A 24 -3.899 -11.555 2.797 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.438 -13.251 4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.317 -10.438 4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.921 -11.114 6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.687 -11.281 5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.984 -11.871 3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.376 -9.822 3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.876 -9.205 3.826 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.284 -9.306 6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.901 -8.930 4.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.075 -6.930 5.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.483 -7.080 4.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.632 -7.444 5.328 1.00 0.00 H new ATOM 340 N GLU A 25 -5.493 -12.705 5.522 1.00 0.00 N ATOM 341 CA GLU A 25 -6.520 -13.209 6.418 1.00 0.00 C ATOM 342 C GLU A 25 -6.732 -14.708 6.193 1.00 0.00 C ATOM 343 O GLU A 25 -6.400 -15.522 7.053 1.00 0.00 O ATOM 344 CB GLU A 25 -7.829 -12.437 6.242 1.00 0.00 C ATOM 345 CG GLU A 25 -8.200 -11.688 7.523 1.00 0.00 C ATOM 346 CD GLU A 25 -9.163 -12.511 8.380 1.00 0.00 C ATOM 347 OE1 GLU A 25 -10.233 -12.872 7.844 1.00 0.00 O ATOM 348 OE2 GLU A 25 -8.808 -12.761 9.552 1.00 0.00 O ATOM 0 H GLU A 25 -5.791 -11.936 4.922 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.184 -13.060 7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.730 -11.730 5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.629 -13.127 5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.298 -11.467 8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.659 -10.732 7.270 1.00 0.00 H new ATOM 355 N LYS A 26 -7.284 -15.026 5.031 1.00 0.00 N ATOM 356 CA LYS A 26 -7.545 -16.412 4.682 1.00 0.00 C ATOM 357 C LYS A 26 -6.375 -17.280 5.150 1.00 0.00 C ATOM 358 O LYS A 26 -6.581 -18.346 5.728 1.00 0.00 O ATOM 359 CB LYS A 26 -7.846 -16.541 3.187 1.00 0.00 C ATOM 360 CG LYS A 26 -8.891 -17.629 2.930 1.00 0.00 C ATOM 361 CD LYS A 26 -10.037 -17.095 2.068 1.00 0.00 C ATOM 362 CE LYS A 26 -10.790 -18.240 1.388 1.00 0.00 C ATOM 363 NZ LYS A 26 -11.247 -17.832 0.041 1.00 0.00 N ATOM 0 H LYS A 26 -7.557 -14.348 4.320 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.436 -16.773 5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.206 -15.587 2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.929 -16.777 2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.422 -18.478 2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.284 -17.992 3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.725 -16.519 2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.643 -16.415 1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.142 -19.113 1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.646 -18.532 1.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.756 -18.621 -0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.882 -17.012 0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.425 -17.576 -0.542 1.00 0.00 H new ATOM 377 N CYS A 27 -5.173 -16.792 4.882 1.00 0.00 N ATOM 378 CA CYS A 27 -3.970 -17.510 5.269 1.00 0.00 C ATOM 379 C CYS A 27 -3.921 -17.577 6.796 1.00 0.00 C ATOM 380 O CYS A 27 -3.726 -18.649 7.368 1.00 0.00 O ATOM 381 CB CYS A 27 -2.712 -16.862 4.685 1.00 0.00 C ATOM 382 SG CYS A 27 -2.686 -16.745 2.859 1.00 0.00 S ATOM 0 H CYS A 27 -5.006 -15.908 4.401 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.000 -18.521 4.863 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.610 -15.860 5.101 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.842 -17.432 5.011 1.00 0.00 H new ATOM 387 N ALA A 28 -4.101 -16.419 7.414 1.00 0.00 N ATOM 388 CA ALA A 28 -4.079 -16.333 8.864 1.00 0.00 C ATOM 389 C ALA A 28 -4.907 -17.478 9.451 1.00 0.00 C ATOM 390 O ALA A 28 -4.403 -18.268 10.248 1.00 0.00 O ATOM 391 CB ALA A 28 -4.592 -14.959 9.302 1.00 0.00 C ATOM 0 H ALA A 28 -4.263 -15.532 6.937 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.061 -16.436 9.239 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.576 -14.894 10.390 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.953 -14.182 8.883 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.613 -14.821 8.946 1.00 0.00 H new ATOM 397 N GLU A 29 -6.164 -17.531 9.034 1.00 0.00 N ATOM 398 CA GLU A 29 -7.066 -18.567 9.509 1.00 0.00 C ATOM 399 C GLU A 29 -6.456 -19.950 9.274 1.00 0.00 C ATOM 400 O GLU A 29 -6.237 -20.704 10.221 1.00 0.00 O ATOM 401 CB GLU A 29 -8.436 -18.450 8.837 1.00 0.00 C ATOM 402 CG GLU A 29 -9.260 -17.323 9.463 1.00 0.00 C ATOM 403 CD GLU A 29 -10.413 -17.886 10.296 1.00 0.00 C ATOM 404 OE1 GLU A 29 -10.957 -18.932 9.880 1.00 0.00 O ATOM 405 OE2 GLU A 29 -10.726 -17.257 11.330 1.00 0.00 O ATOM 0 H GLU A 29 -6.579 -16.874 8.373 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.211 -18.433 10.581 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.307 -18.262 7.771 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.973 -19.394 8.932 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.619 -16.705 10.092 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.655 -16.677 8.679 1.00 0.00 H new ATOM 412 N SER A 30 -6.201 -20.242 8.008 1.00 0.00 N ATOM 413 CA SER A 30 -5.621 -21.522 7.637 1.00 0.00 C ATOM 414 C SER A 30 -4.303 -21.736 8.385 1.00 0.00 C ATOM 415 O SER A 30 -3.822 -22.862 8.492 1.00 0.00 O ATOM 416 CB SER A 30 -5.393 -21.607 6.126 1.00 0.00 C ATOM 417 OG SER A 30 -5.960 -22.789 5.567 1.00 0.00 O ATOM 0 H SER A 30 -6.385 -19.614 7.225 1.00 0.00 H new ATOM 0 HA SER A 30 -6.322 -22.308 7.916 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.829 -20.732 5.644 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.323 -21.585 5.919 1.00 0.00 H new ATOM 0 HG SER A 30 -5.795 -22.806 4.601 1.00 0.00 H new ATOM 423 N CYS A 31 -3.757 -20.636 8.882 1.00 0.00 N ATOM 424 CA CYS A 31 -2.504 -20.688 9.617 1.00 0.00 C ATOM 425 C CYS A 31 -2.784 -20.306 11.072 1.00 0.00 C ATOM 426 O CYS A 31 -2.170 -19.382 11.604 1.00 0.00 O ATOM 427 CB CYS A 31 -1.440 -19.789 8.985 1.00 0.00 C ATOM 428 SG CYS A 31 -0.784 -20.385 7.384 1.00 0.00 S ATOM 0 H CYS A 31 -4.159 -19.703 8.790 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.099 -21.699 9.580 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.863 -18.795 8.841 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.611 -19.684 9.685 1.00 0.00 H new ATOM 433 N GLU A 32 -3.712 -21.035 11.674 1.00 0.00 N ATOM 434 CA GLU A 32 -4.080 -20.784 13.057 1.00 0.00 C ATOM 435 C GLU A 32 -3.180 -21.585 14.000 1.00 0.00 C ATOM 436 O GLU A 32 -3.093 -22.807 13.892 1.00 0.00 O ATOM 437 CB GLU A 32 -5.555 -21.109 13.299 1.00 0.00 C ATOM 438 CG GLU A 32 -6.388 -19.830 13.410 1.00 0.00 C ATOM 439 CD GLU A 32 -7.762 -20.121 14.016 1.00 0.00 C ATOM 440 OE1 GLU A 32 -8.459 -20.991 13.451 1.00 0.00 O ATOM 441 OE2 GLU A 32 -8.084 -19.467 15.031 1.00 0.00 O ATOM 0 H GLU A 32 -4.220 -21.800 11.229 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.937 -19.723 13.264 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.934 -21.724 12.483 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.657 -21.694 14.213 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.862 -19.101 14.027 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.509 -19.384 12.423 1.00 0.00 H new ATOM 448 N THR A 33 -2.534 -20.864 14.904 1.00 0.00 N ATOM 449 CA THR A 33 -1.644 -21.492 15.865 1.00 0.00 C ATOM 450 C THR A 33 -0.710 -22.480 15.162 1.00 0.00 C ATOM 451 O THR A 33 -0.312 -23.487 15.746 1.00 0.00 O ATOM 452 CB THR A 33 -2.503 -22.139 16.954 1.00 0.00 C ATOM 453 OG1 THR A 33 -3.240 -23.144 16.262 1.00 0.00 O ATOM 454 CG2 THR A 33 -3.578 -21.191 17.490 1.00 0.00 C ATOM 0 H THR A 33 -2.609 -19.851 14.991 1.00 0.00 H new ATOM 0 HA THR A 33 -0.993 -20.757 16.338 1.00 0.00 H new ATOM 0 HB THR A 33 -1.865 -22.466 17.775 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.845 -23.288 15.377 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.160 -21.698 18.260 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.104 -20.307 17.917 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.238 -20.891 16.676 1.00 0.00 H new ATOM 462 N SER A 34 -0.388 -22.157 13.918 1.00 0.00 N ATOM 463 CA SER A 34 0.491 -23.003 13.129 1.00 0.00 C ATOM 464 C SER A 34 1.948 -22.759 13.528 1.00 0.00 C ATOM 465 O SER A 34 2.787 -22.464 12.678 1.00 0.00 O ATOM 466 CB SER A 34 0.301 -22.750 11.632 1.00 0.00 C ATOM 467 OG SER A 34 -0.026 -23.944 10.926 1.00 0.00 O ATOM 0 H SER A 34 -0.720 -21.321 13.437 1.00 0.00 H new ATOM 0 HA SER A 34 0.235 -24.043 13.329 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.490 -22.014 11.486 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.214 -22.322 11.218 1.00 0.00 H new ATOM 0 HG SER A 34 -0.141 -23.740 9.974 1.00 0.00 H new ATOM 473 N ALA A 35 2.205 -22.892 14.821 1.00 0.00 N ATOM 474 CA ALA A 35 3.546 -22.690 15.342 1.00 0.00 C ATOM 475 C ALA A 35 3.952 -21.229 15.142 1.00 0.00 C ATOM 476 O ALA A 35 3.910 -20.435 16.081 1.00 0.00 O ATOM 477 CB ALA A 35 4.511 -23.662 14.660 1.00 0.00 C ATOM 0 H ALA A 35 1.507 -23.137 15.523 1.00 0.00 H new ATOM 0 HA ALA A 35 3.577 -22.897 16.412 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.517 -23.510 15.051 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.196 -24.686 14.858 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.509 -23.483 13.585 1.00 0.00 H new ATOM 483 N ASP A 36 4.334 -20.917 13.912 1.00 0.00 N ATOM 484 CA ASP A 36 4.747 -19.565 13.577 1.00 0.00 C ATOM 485 C ASP A 36 3.772 -18.978 12.554 1.00 0.00 C ATOM 486 O ASP A 36 4.104 -18.851 11.377 1.00 0.00 O ATOM 487 CB ASP A 36 6.146 -19.554 12.957 1.00 0.00 C ATOM 488 CG ASP A 36 7.176 -20.433 13.670 1.00 0.00 C ATOM 489 OD1 ASP A 36 6.879 -20.840 14.814 1.00 0.00 O ATOM 490 OD2 ASP A 36 8.236 -20.677 13.055 1.00 0.00 O ATOM 0 H ASP A 36 4.366 -21.578 13.135 1.00 0.00 H new ATOM 0 HA ASP A 36 4.755 -18.977 14.495 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.070 -19.879 11.919 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.513 -18.528 12.944 1.00 0.00 H new ATOM 495 N LYS A 37 2.589 -18.635 13.042 1.00 0.00 N ATOM 496 CA LYS A 37 1.564 -18.064 12.185 1.00 0.00 C ATOM 497 C LYS A 37 2.211 -17.079 11.209 1.00 0.00 C ATOM 498 O LYS A 37 2.068 -17.217 9.996 1.00 0.00 O ATOM 499 CB LYS A 37 0.443 -17.450 13.026 1.00 0.00 C ATOM 500 CG LYS A 37 -0.200 -18.500 13.934 1.00 0.00 C ATOM 501 CD LYS A 37 -0.527 -17.911 15.308 1.00 0.00 C ATOM 502 CE LYS A 37 -1.910 -17.259 15.310 1.00 0.00 C ATOM 503 NZ LYS A 37 -2.673 -17.664 16.512 1.00 0.00 N ATOM 0 H LYS A 37 2.318 -18.741 14.019 1.00 0.00 H new ATOM 0 HA LYS A 37 1.092 -18.843 11.586 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.842 -16.636 13.631 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.314 -17.019 12.371 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.111 -18.878 13.470 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.475 -19.348 14.049 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.490 -18.697 16.062 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.227 -17.173 15.580 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.807 -16.174 15.286 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.456 -17.547 14.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.264 -16.870 16.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.279 -18.477 16.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.012 -17.930 17.270 1.00 0.00 H new ATOM 517 N LYS A 38 2.909 -16.106 11.777 1.00 0.00 N ATOM 518 CA LYS A 38 3.579 -15.098 10.972 1.00 0.00 C ATOM 519 C LYS A 38 4.233 -15.769 9.763 1.00 0.00 C ATOM 520 O LYS A 38 3.805 -15.564 8.628 1.00 0.00 O ATOM 521 CB LYS A 38 4.554 -14.290 11.829 1.00 0.00 C ATOM 522 CG LYS A 38 4.484 -12.801 11.484 1.00 0.00 C ATOM 523 CD LYS A 38 3.557 -12.058 12.447 1.00 0.00 C ATOM 524 CE LYS A 38 4.238 -11.831 13.799 1.00 0.00 C ATOM 525 NZ LYS A 38 3.237 -11.476 14.830 1.00 0.00 N ATOM 0 H LYS A 38 3.025 -15.994 12.784 1.00 0.00 H new ATOM 0 HA LYS A 38 2.858 -14.378 10.586 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.321 -14.434 12.884 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.569 -14.655 11.674 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.483 -12.367 11.527 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.127 -12.677 10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.271 -11.099 12.015 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.640 -12.630 12.589 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.774 -12.732 14.099 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.977 -11.035 13.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.715 -11.325 15.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.744 -10.604 14.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.547 -12.249 14.925 1.00 0.00 H new ATOM 539 N THR A 39 5.259 -16.558 10.047 1.00 0.00 N ATOM 540 CA THR A 39 5.976 -17.260 8.997 1.00 0.00 C ATOM 541 C THR A 39 4.993 -17.927 8.033 1.00 0.00 C ATOM 542 O THR A 39 5.108 -17.775 6.818 1.00 0.00 O ATOM 543 CB THR A 39 6.940 -18.246 9.660 1.00 0.00 C ATOM 544 OG1 THR A 39 7.577 -17.478 10.677 1.00 0.00 O ATOM 545 CG2 THR A 39 8.085 -18.659 8.733 1.00 0.00 C ATOM 0 H THR A 39 5.611 -16.726 10.990 1.00 0.00 H new ATOM 0 HA THR A 39 6.561 -16.570 8.389 1.00 0.00 H new ATOM 0 HB THR A 39 6.391 -19.133 9.976 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.218 -18.041 11.159 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.739 -19.359 9.253 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.678 -19.136 7.842 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.655 -17.776 8.443 1.00 0.00 H new ATOM 553 N CYS A 40 4.047 -18.653 8.612 1.00 0.00 N ATOM 554 CA CYS A 40 3.044 -19.344 7.820 1.00 0.00 C ATOM 555 C CYS A 40 2.436 -18.343 6.835 1.00 0.00 C ATOM 556 O CYS A 40 2.470 -18.559 5.625 1.00 0.00 O ATOM 557 CB CYS A 40 1.977 -19.996 8.702 1.00 0.00 C ATOM 558 SG CYS A 40 1.008 -21.316 7.885 1.00 0.00 S ATOM 0 H CYS A 40 3.954 -18.777 9.620 1.00 0.00 H new ATOM 0 HA CYS A 40 3.512 -20.158 7.267 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.461 -20.413 9.585 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.291 -19.223 9.050 1.00 0.00 H new ATOM 563 N ARG A 41 1.894 -17.269 7.391 1.00 0.00 N ATOM 564 CA ARG A 41 1.279 -16.235 6.577 1.00 0.00 C ATOM 565 C ARG A 41 2.299 -15.658 5.593 1.00 0.00 C ATOM 566 O ARG A 41 2.049 -15.612 4.390 1.00 0.00 O ATOM 567 CB ARG A 41 0.725 -15.105 7.448 1.00 0.00 C ATOM 568 CG ARG A 41 -0.575 -15.529 8.134 1.00 0.00 C ATOM 569 CD ARG A 41 -1.026 -14.478 9.151 1.00 0.00 C ATOM 570 NE ARG A 41 -1.126 -13.153 8.499 1.00 0.00 N ATOM 571 CZ ARG A 41 -1.527 -12.038 9.124 1.00 0.00 C ATOM 572 NH1 ARG A 41 -1.867 -12.080 10.419 1.00 0.00 N ATOM 573 NH2 ARG A 41 -1.587 -10.879 8.453 1.00 0.00 N ATOM 0 H ARG A 41 1.868 -17.093 8.395 1.00 0.00 H new ATOM 0 HA ARG A 41 0.456 -16.691 6.027 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.463 -14.825 8.200 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.545 -14.222 6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.354 -15.675 7.386 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.431 -16.486 8.635 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.991 -14.759 9.573 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.318 -14.433 9.978 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.874 -13.085 7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.821 -12.961 10.930 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.172 -11.230 10.894 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.327 -10.846 7.467 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.892 -10.030 8.928 1.00 0.00 H new ATOM 587 N ARG A 42 3.427 -15.231 6.142 1.00 0.00 N ATOM 588 CA ARG A 42 4.486 -14.659 5.328 1.00 0.00 C ATOM 589 C ARG A 42 4.716 -15.513 4.080 1.00 0.00 C ATOM 590 O ARG A 42 4.835 -14.985 2.975 1.00 0.00 O ATOM 591 CB ARG A 42 5.793 -14.557 6.116 1.00 0.00 C ATOM 592 CG ARG A 42 5.576 -13.834 7.447 1.00 0.00 C ATOM 593 CD ARG A 42 6.439 -12.574 7.535 1.00 0.00 C ATOM 594 NE ARG A 42 7.845 -12.900 7.205 1.00 0.00 N ATOM 595 CZ ARG A 42 8.765 -11.990 6.859 1.00 0.00 C ATOM 596 NH1 ARG A 42 8.434 -10.693 6.794 1.00 0.00 N ATOM 597 NH2 ARG A 42 10.017 -12.377 6.577 1.00 0.00 N ATOM 0 H ARG A 42 3.630 -15.270 7.141 1.00 0.00 H new ATOM 0 HA ARG A 42 4.174 -13.657 5.034 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.189 -15.555 6.301 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.537 -14.023 5.525 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.525 -13.567 7.552 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.819 -14.504 8.272 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.062 -11.816 6.848 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.381 -12.152 8.538 1.00 0.00 H new ATOM 0 HE ARG A 42 8.131 -13.878 7.244 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.481 -10.398 7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.135 -10.000 6.531 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.269 -13.364 6.626 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.718 -11.684 6.313 1.00 0.00 H new ATOM 611 N ASN A 43 4.772 -16.819 4.297 1.00 0.00 N ATOM 612 CA ASN A 43 4.986 -17.751 3.204 1.00 0.00 C ATOM 613 C ASN A 43 3.740 -17.784 2.316 1.00 0.00 C ATOM 614 O ASN A 43 3.841 -17.981 1.106 1.00 0.00 O ATOM 615 CB ASN A 43 5.230 -19.168 3.728 1.00 0.00 C ATOM 616 CG ASN A 43 6.710 -19.542 3.628 1.00 0.00 C ATOM 617 OD1 ASN A 43 7.234 -19.826 2.563 1.00 0.00 O ATOM 618 ND2 ASN A 43 7.351 -19.528 4.792 1.00 0.00 N ATOM 0 H ASN A 43 4.673 -17.254 5.214 1.00 0.00 H new ATOM 0 HA ASN A 43 5.859 -17.418 2.643 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.903 -19.237 4.765 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.632 -19.879 3.157 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.342 -19.764 4.831 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.852 -19.281 5.646 1.00 0.00 H new ATOM 625 N CYS A 44 2.594 -17.587 2.951 1.00 0.00 N ATOM 626 CA CYS A 44 1.331 -17.591 2.234 1.00 0.00 C ATOM 627 C CYS A 44 1.266 -16.332 1.367 1.00 0.00 C ATOM 628 O CYS A 44 0.549 -16.298 0.368 1.00 0.00 O ATOM 629 CB CYS A 44 0.139 -17.689 3.188 1.00 0.00 C ATOM 630 SG CYS A 44 -1.395 -18.347 2.436 1.00 0.00 S ATOM 0 H CYS A 44 2.514 -17.424 3.955 1.00 0.00 H new ATOM 0 HA CYS A 44 1.275 -18.473 1.596 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.416 -18.325 4.029 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.067 -16.698 3.592 1.00 0.00 H new ATOM 635 N LYS A 45 2.024 -15.328 1.781 1.00 0.00 N ATOM 636 CA LYS A 45 2.062 -14.070 1.055 1.00 0.00 C ATOM 637 C LYS A 45 2.618 -14.313 -0.349 1.00 0.00 C ATOM 638 O LYS A 45 2.147 -13.719 -1.318 1.00 0.00 O ATOM 639 CB LYS A 45 2.837 -13.016 1.849 1.00 0.00 C ATOM 640 CG LYS A 45 2.226 -11.627 1.659 1.00 0.00 C ATOM 641 CD LYS A 45 2.342 -10.796 2.938 1.00 0.00 C ATOM 642 CE LYS A 45 3.745 -10.205 3.083 1.00 0.00 C ATOM 643 NZ LYS A 45 4.491 -10.896 4.158 1.00 0.00 N ATOM 0 H LYS A 45 2.617 -15.360 2.610 1.00 0.00 H new ATOM 0 HA LYS A 45 1.055 -13.669 0.935 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.833 -13.277 2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.878 -13.006 1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.730 -11.113 0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.177 -11.723 1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.605 -9.993 2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.115 -11.420 3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.284 -10.298 2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.676 -9.140 3.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.401 -10.417 4.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.935 -10.873 5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.662 -11.884 3.882 1.00 0.00 H new ATOM 657 N LYS A 46 3.611 -15.188 -0.415 1.00 0.00 N ATOM 658 CA LYS A 46 4.235 -15.517 -1.685 1.00 0.00 C ATOM 659 C LYS A 46 3.534 -16.733 -2.294 1.00 0.00 C ATOM 660 O LYS A 46 3.803 -17.102 -3.436 1.00 0.00 O ATOM 661 CB LYS A 46 5.744 -15.702 -1.508 1.00 0.00 C ATOM 662 CG LYS A 46 6.447 -14.352 -1.349 1.00 0.00 C ATOM 663 CD LYS A 46 6.853 -13.782 -2.709 1.00 0.00 C ATOM 664 CE LYS A 46 7.291 -12.321 -2.583 1.00 0.00 C ATOM 665 NZ LYS A 46 8.519 -12.078 -3.373 1.00 0.00 N ATOM 0 H LYS A 46 3.999 -15.679 0.391 1.00 0.00 H new ATOM 0 HA LYS A 46 4.118 -14.695 -2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.938 -16.322 -0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.153 -16.230 -2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.785 -13.651 -0.840 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.330 -14.470 -0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.667 -14.374 -3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.016 -13.856 -3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.493 -11.665 -2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.471 -12.078 -1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.802 -11.082 -3.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.283 -12.691 -3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.335 -12.290 -4.374 1.00 0.00 H new ATOM 679 N ALA A 47 2.647 -17.321 -1.504 1.00 0.00 N ATOM 680 CA ALA A 47 1.905 -18.487 -1.951 1.00 0.00 C ATOM 681 C ALA A 47 0.930 -18.074 -3.056 1.00 0.00 C ATOM 682 O ALA A 47 0.969 -18.618 -4.158 1.00 0.00 O ATOM 683 CB ALA A 47 1.195 -19.129 -0.757 1.00 0.00 C ATOM 0 H ALA A 47 2.426 -17.011 -0.558 1.00 0.00 H new ATOM 0 HA ALA A 47 2.580 -19.234 -2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.638 -20.004 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.933 -19.431 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.507 -18.409 -0.313 1.00 0.00 H new ATOM 689 N ASP A 48 0.079 -17.115 -2.721 1.00 0.00 N ATOM 690 CA ASP A 48 -0.904 -16.622 -3.671 1.00 0.00 C ATOM 691 C ASP A 48 -1.330 -15.209 -3.270 1.00 0.00 C ATOM 692 O ASP A 48 -2.521 -14.902 -3.235 1.00 0.00 O ATOM 693 CB ASP A 48 -2.151 -17.508 -3.682 1.00 0.00 C ATOM 694 CG ASP A 48 -2.941 -17.497 -4.993 1.00 0.00 C ATOM 695 OD1 ASP A 48 -3.468 -16.415 -5.329 1.00 0.00 O ATOM 696 OD2 ASP A 48 -2.999 -18.572 -5.629 1.00 0.00 O ATOM 0 H ASP A 48 0.050 -16.666 -1.805 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.449 -16.628 -4.662 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.852 -18.533 -3.464 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.811 -17.190 -2.875 1.00 0.00 H new ATOM 701 N CYS A 49 -0.335 -14.385 -2.978 1.00 0.00 N ATOM 702 CA CYS A 49 -0.592 -13.011 -2.581 1.00 0.00 C ATOM 703 C CYS A 49 0.550 -12.138 -3.105 1.00 0.00 C ATOM 704 O CYS A 49 0.870 -11.108 -2.513 1.00 0.00 O ATOM 705 CB CYS A 49 -0.760 -12.882 -1.066 1.00 0.00 C ATOM 706 SG CYS A 49 -1.467 -14.357 -0.244 1.00 0.00 S ATOM 0 H CYS A 49 0.652 -14.642 -3.008 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.534 -12.675 -3.015 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.213 -12.668 -0.624 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.400 -12.025 -0.857 1.00 0.00 H new ATOM 711 N GLU A 50 1.133 -12.581 -4.209 1.00 0.00 N ATOM 712 CA GLU A 50 2.232 -11.853 -4.819 1.00 0.00 C ATOM 713 C GLU A 50 1.701 -10.653 -5.607 1.00 0.00 C ATOM 714 O GLU A 50 2.180 -9.533 -5.436 1.00 0.00 O ATOM 715 CB GLU A 50 3.068 -12.770 -5.714 1.00 0.00 C ATOM 716 CG GLU A 50 4.388 -13.142 -5.036 1.00 0.00 C ATOM 717 CD GLU A 50 5.580 -12.563 -5.801 1.00 0.00 C ATOM 718 OE1 GLU A 50 5.660 -11.317 -5.869 1.00 0.00 O ATOM 719 OE2 GLU A 50 6.384 -13.379 -6.302 1.00 0.00 O ATOM 0 H GLU A 50 0.865 -13.436 -4.697 1.00 0.00 H new ATOM 0 HA GLU A 50 2.882 -11.484 -4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.504 -13.675 -5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.270 -12.273 -6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.393 -12.769 -4.012 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.479 -14.227 -4.980 1.00 0.00 H new ATOM 726 N PRO A 51 0.693 -10.936 -6.475 1.00 0.00 N ATOM 727 CA PRO A 51 0.093 -9.893 -7.289 1.00 0.00 C ATOM 728 C PRO A 51 -0.831 -9.007 -6.452 1.00 0.00 C ATOM 729 O PRO A 51 -0.841 -7.787 -6.613 1.00 0.00 O ATOM 730 CB PRO A 51 -0.639 -10.633 -8.398 1.00 0.00 C ATOM 731 CG PRO A 51 -0.811 -12.060 -7.904 1.00 0.00 C ATOM 732 CD PRO A 51 0.101 -12.251 -6.703 1.00 0.00 C ATOM 0 HA PRO A 51 0.831 -9.207 -7.704 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.605 -10.172 -8.604 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.069 -10.607 -9.327 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.849 -12.246 -7.628 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.558 -12.770 -8.692 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.458 -12.590 -5.831 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.867 -13.001 -6.902 1.00 0.00 H new ATOM 740 N GLN A 52 -1.584 -9.654 -5.574 1.00 0.00 N ATOM 741 CA GLN A 52 -2.508 -8.939 -4.711 1.00 0.00 C ATOM 742 C GLN A 52 -1.762 -7.888 -3.887 1.00 0.00 C ATOM 743 O GLN A 52 -2.233 -6.762 -3.737 1.00 0.00 O ATOM 744 CB GLN A 52 -3.270 -9.907 -3.803 1.00 0.00 C ATOM 745 CG GLN A 52 -4.137 -10.863 -4.625 1.00 0.00 C ATOM 746 CD GLN A 52 -4.943 -11.792 -3.715 1.00 0.00 C ATOM 747 OE1 GLN A 52 -5.088 -11.566 -2.525 1.00 0.00 O ATOM 748 NE2 GLN A 52 -5.458 -12.848 -4.340 1.00 0.00 N ATOM 0 H GLN A 52 -1.573 -10.665 -5.442 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.238 -8.428 -5.339 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.564 -10.478 -3.200 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.898 -9.345 -3.111 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.815 -10.291 -5.259 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.505 -11.455 -5.287 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.298 -12.977 -5.339 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.013 -13.528 -3.820 1.00 0.00 H new ATOM 757 N ASP A 53 -0.609 -8.293 -3.375 1.00 0.00 N ATOM 758 CA ASP A 53 0.208 -7.400 -2.571 1.00 0.00 C ATOM 759 C ASP A 53 0.686 -6.234 -3.438 1.00 0.00 C ATOM 760 O ASP A 53 0.767 -5.100 -2.969 1.00 0.00 O ATOM 761 CB ASP A 53 1.443 -8.123 -2.028 1.00 0.00 C ATOM 762 CG ASP A 53 2.173 -7.394 -0.898 1.00 0.00 C ATOM 763 OD1 ASP A 53 1.922 -6.178 -0.752 1.00 0.00 O ATOM 764 OD2 ASP A 53 2.966 -8.069 -0.207 1.00 0.00 O ATOM 0 H ASP A 53 -0.221 -9.228 -3.501 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.399 -7.046 -1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.141 -9.107 -1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.142 -8.283 -2.849 1.00 0.00 H new ATOM 769 N LYS A 54 0.990 -6.553 -4.688 1.00 0.00 N ATOM 770 CA LYS A 54 1.458 -5.545 -5.624 1.00 0.00 C ATOM 771 C LYS A 54 0.370 -4.487 -5.813 1.00 0.00 C ATOM 772 O LYS A 54 0.607 -3.301 -5.590 1.00 0.00 O ATOM 773 CB LYS A 54 1.914 -6.199 -6.930 1.00 0.00 C ATOM 774 CG LYS A 54 3.285 -6.858 -6.764 1.00 0.00 C ATOM 775 CD LYS A 54 3.759 -7.477 -8.081 1.00 0.00 C ATOM 776 CE LYS A 54 5.049 -6.814 -8.565 1.00 0.00 C ATOM 777 NZ LYS A 54 5.658 -7.602 -9.660 1.00 0.00 N ATOM 0 H LYS A 54 0.921 -7.495 -5.074 1.00 0.00 H new ATOM 0 HA LYS A 54 2.335 -5.033 -5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.183 -6.945 -7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.960 -5.449 -7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.010 -6.118 -6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.232 -7.628 -5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.924 -8.546 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.983 -7.367 -8.839 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.837 -5.802 -8.911 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.753 -6.727 -7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.533 -7.138 -9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.878 -8.559 -9.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.991 -7.664 -10.456 1.00 0.00 H new ATOM 791 N VAL A 55 -0.800 -4.953 -6.224 1.00 0.00 N ATOM 792 CA VAL A 55 -1.926 -4.062 -6.446 1.00 0.00 C ATOM 793 C VAL A 55 -2.062 -3.113 -5.253 1.00 0.00 C ATOM 794 O VAL A 55 -2.495 -1.973 -5.408 1.00 0.00 O ATOM 795 CB VAL A 55 -3.194 -4.875 -6.711 1.00 0.00 C ATOM 796 CG1 VAL A 55 -4.424 -3.967 -6.778 1.00 0.00 C ATOM 797 CG2 VAL A 55 -3.055 -5.706 -7.988 1.00 0.00 C ATOM 0 H VAL A 55 -0.993 -5.937 -6.409 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.759 -3.449 -7.332 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.331 -5.563 -5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.312 -4.570 -6.967 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.539 -3.440 -5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.299 -3.243 -7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.970 -6.275 -8.153 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.881 -5.044 -8.836 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.215 -6.393 -7.886 1.00 0.00 H new ATOM 807 N CYS A 56 -1.685 -3.621 -4.088 1.00 0.00 N ATOM 808 CA CYS A 56 -1.760 -2.833 -2.869 1.00 0.00 C ATOM 809 C CYS A 56 -0.644 -1.787 -2.903 1.00 0.00 C ATOM 810 O CYS A 56 -0.912 -0.587 -2.892 1.00 0.00 O ATOM 811 CB CYS A 56 -1.679 -3.714 -1.621 1.00 0.00 C ATOM 812 SG CYS A 56 -1.921 -2.827 -0.039 1.00 0.00 S ATOM 0 H CYS A 56 -1.327 -4.568 -3.963 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.726 -2.330 -2.817 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.430 -4.500 -1.699 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.705 -4.204 -1.602 1.00 0.00 H new ATOM 817 N ASP A 57 0.585 -2.281 -2.945 1.00 0.00 N ATOM 818 CA ASP A 57 1.743 -1.404 -2.981 1.00 0.00 C ATOM 819 C ASP A 57 1.471 -0.246 -3.943 1.00 0.00 C ATOM 820 O ASP A 57 1.690 0.915 -3.600 1.00 0.00 O ATOM 821 CB ASP A 57 2.983 -2.150 -3.478 1.00 0.00 C ATOM 822 CG ASP A 57 4.226 -1.279 -3.675 1.00 0.00 C ATOM 823 OD1 ASP A 57 4.190 -0.124 -3.199 1.00 0.00 O ATOM 824 OD2 ASP A 57 5.183 -1.788 -4.297 1.00 0.00 O ATOM 0 H ASP A 57 0.804 -3.277 -2.955 1.00 0.00 H new ATOM 0 HA ASP A 57 1.922 -1.040 -1.969 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.221 -2.942 -2.768 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.743 -2.633 -4.425 1.00 0.00 H new ATOM 829 N ALA A 58 0.996 -0.602 -5.128 1.00 0.00 N ATOM 830 CA ALA A 58 0.692 0.393 -6.141 1.00 0.00 C ATOM 831 C ALA A 58 -0.020 1.579 -5.488 1.00 0.00 C ATOM 832 O ALA A 58 0.371 2.729 -5.685 1.00 0.00 O ATOM 833 CB ALA A 58 -0.142 -0.248 -7.252 1.00 0.00 C ATOM 0 H ALA A 58 0.814 -1.566 -5.408 1.00 0.00 H new ATOM 0 HA ALA A 58 1.608 0.769 -6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.370 0.499 -8.012 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.420 -1.066 -7.703 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.071 -0.635 -6.833 1.00 0.00 H new ATOM 839 N CYS A 59 -1.054 1.259 -4.724 1.00 0.00 N ATOM 840 CA CYS A 59 -1.825 2.284 -4.040 1.00 0.00 C ATOM 841 C CYS A 59 -0.863 3.131 -3.204 1.00 0.00 C ATOM 842 O CYS A 59 -0.642 4.303 -3.503 1.00 0.00 O ATOM 843 CB CYS A 59 -2.941 1.678 -3.187 1.00 0.00 C ATOM 844 SG CYS A 59 -3.807 2.867 -2.098 1.00 0.00 S ATOM 0 H CYS A 59 -1.376 0.305 -4.563 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.323 2.918 -4.774 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.672 1.213 -3.848 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.518 0.884 -2.571 1.00 0.00 H new ATOM 849 N ARG A 60 -0.317 2.504 -2.173 1.00 0.00 N ATOM 850 CA ARG A 60 0.616 3.185 -1.291 1.00 0.00 C ATOM 851 C ARG A 60 1.650 3.960 -2.110 1.00 0.00 C ATOM 852 O ARG A 60 2.158 4.987 -1.663 1.00 0.00 O ATOM 853 CB ARG A 60 1.338 2.191 -0.380 1.00 0.00 C ATOM 854 CG ARG A 60 0.341 1.397 0.466 1.00 0.00 C ATOM 855 CD ARG A 60 1.031 0.758 1.673 1.00 0.00 C ATOM 856 NE ARG A 60 1.203 1.760 2.748 1.00 0.00 N ATOM 857 CZ ARG A 60 1.877 1.535 3.884 1.00 0.00 C ATOM 858 NH1 ARG A 60 2.447 0.342 4.100 1.00 0.00 N ATOM 859 NH2 ARG A 60 1.982 2.504 4.804 1.00 0.00 N ATOM 0 H ARG A 60 -0.503 1.531 -1.928 1.00 0.00 H new ATOM 0 HA ARG A 60 0.044 3.877 -0.673 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.934 1.507 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.029 2.726 0.272 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.458 2.056 0.806 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.123 0.622 -0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.439 -0.081 2.038 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.002 0.359 1.378 1.00 0.00 H new ATOM 0 HE ARG A 60 0.782 2.680 2.616 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.368 -0.395 3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.960 0.171 4.965 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.549 3.413 4.639 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.495 2.333 5.669 1.00 0.00 H new ATOM 873 N MET A 61 1.932 3.438 -3.295 1.00 0.00 N ATOM 874 CA MET A 61 2.896 4.069 -4.180 1.00 0.00 C ATOM 875 C MET A 61 2.278 5.271 -4.897 1.00 0.00 C ATOM 876 O MET A 61 2.960 6.262 -5.155 1.00 0.00 O ATOM 877 CB MET A 61 3.381 3.051 -5.215 1.00 0.00 C ATOM 878 CG MET A 61 4.011 3.752 -6.420 1.00 0.00 C ATOM 879 SD MET A 61 5.507 2.906 -6.904 1.00 0.00 S ATOM 880 CE MET A 61 4.950 2.133 -8.414 1.00 0.00 C ATOM 0 H MET A 61 1.510 2.585 -3.663 1.00 0.00 H new ATOM 0 HA MET A 61 3.736 4.420 -3.581 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.109 2.381 -4.758 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.544 2.435 -5.545 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.307 3.767 -7.252 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.234 4.790 -6.172 1.00 0.00 H new ATOM 0 HE1 MET A 61 5.767 1.559 -8.852 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.115 1.467 -8.195 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.627 2.900 -9.118 1.00 0.00 H new ATOM 890 N LYS A 62 0.995 5.144 -5.199 1.00 0.00 N ATOM 891 CA LYS A 62 0.277 6.207 -5.882 1.00 0.00 C ATOM 892 C LYS A 62 -0.194 7.239 -4.855 1.00 0.00 C ATOM 893 O LYS A 62 0.114 8.424 -4.973 1.00 0.00 O ATOM 894 CB LYS A 62 -0.853 5.629 -6.736 1.00 0.00 C ATOM 895 CG LYS A 62 -0.370 5.334 -8.157 1.00 0.00 C ATOM 896 CD LYS A 62 0.324 3.972 -8.229 1.00 0.00 C ATOM 897 CE LYS A 62 0.735 3.642 -9.665 1.00 0.00 C ATOM 898 NZ LYS A 62 0.079 2.395 -10.118 1.00 0.00 N ATOM 0 H LYS A 62 0.433 4.321 -4.983 1.00 0.00 H new ATOM 0 HA LYS A 62 0.936 6.726 -6.578 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.228 4.714 -6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.685 6.333 -6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.216 5.352 -8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.319 6.115 -8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.204 3.974 -7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.345 3.199 -7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.462 4.465 -10.326 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.818 3.532 -9.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.172 2.309 -11.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.532 1.578 -9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.929 2.420 -9.862 1.00 0.00 H new ATOM 912 N CYS A 63 -0.933 6.751 -3.869 1.00 0.00 N ATOM 913 CA CYS A 63 -1.450 7.616 -2.822 1.00 0.00 C ATOM 914 C CYS A 63 -0.348 8.600 -2.425 1.00 0.00 C ATOM 915 O CYS A 63 -0.606 9.791 -2.255 1.00 0.00 O ATOM 916 CB CYS A 63 -1.957 6.812 -1.624 1.00 0.00 C ATOM 917 SG CYS A 63 -2.065 7.754 -0.058 1.00 0.00 S ATOM 0 H CYS A 63 -1.186 5.768 -3.773 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.312 8.169 -3.195 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.944 6.415 -1.862 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.298 5.957 -1.473 1.00 0.00 H new ATOM 922 N HIS A 64 0.857 8.066 -2.288 1.00 0.00 N ATOM 923 CA HIS A 64 1.999 8.882 -1.913 1.00 0.00 C ATOM 924 C HIS A 64 2.100 10.086 -2.853 1.00 0.00 C ATOM 925 O HIS A 64 1.943 11.228 -2.424 1.00 0.00 O ATOM 926 CB HIS A 64 3.279 8.045 -1.883 1.00 0.00 C ATOM 927 CG HIS A 64 4.295 8.511 -0.868 1.00 0.00 C ATOM 928 ND1 HIS A 64 5.603 8.061 -0.855 1.00 0.00 N ATOM 929 CD2 HIS A 64 4.180 9.393 0.167 1.00 0.00 C ATOM 930 CE1 HIS A 64 6.238 8.650 0.147 1.00 0.00 C ATOM 931 NE2 HIS A 64 5.355 9.475 0.779 1.00 0.00 N ATOM 0 H HIS A 64 1.067 7.078 -2.430 1.00 0.00 H new ATOM 0 HA HIS A 64 1.861 9.264 -0.902 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.018 7.008 -1.671 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.735 8.062 -2.873 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.285 9.932 0.441 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.273 8.503 0.416 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.563 10.059 1.589 1.00 0.00 H new ATOM 939 N LYS A 65 2.360 9.789 -4.117 1.00 0.00 N ATOM 940 CA LYS A 65 2.484 10.832 -5.121 1.00 0.00 C ATOM 941 C LYS A 65 1.174 11.618 -5.198 1.00 0.00 C ATOM 942 O LYS A 65 1.171 12.841 -5.067 1.00 0.00 O ATOM 943 CB LYS A 65 2.923 10.237 -6.461 1.00 0.00 C ATOM 944 CG LYS A 65 2.306 11.005 -7.631 1.00 0.00 C ATOM 945 CD LYS A 65 2.687 10.367 -8.968 1.00 0.00 C ATOM 946 CE LYS A 65 1.444 9.887 -9.720 1.00 0.00 C ATOM 947 NZ LYS A 65 1.224 10.705 -10.933 1.00 0.00 N ATOM 0 H LYS A 65 2.488 8.840 -4.469 1.00 0.00 H new ATOM 0 HA LYS A 65 3.265 11.539 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.010 10.265 -6.536 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.626 9.189 -6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.221 11.021 -7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.644 12.041 -7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.229 11.089 -9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.359 9.527 -8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.561 8.839 -9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.572 9.949 -9.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.377 10.366 -11.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.091 11.700 -10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.050 10.625 -11.560 1.00 0.00 H new ATOM 961 N ALA A 66 0.091 10.883 -5.409 1.00 0.00 N ATOM 962 CA ALA A 66 -1.222 11.496 -5.505 1.00 0.00 C ATOM 963 C ALA A 66 -1.398 12.496 -4.360 1.00 0.00 C ATOM 964 O ALA A 66 -2.062 13.519 -4.521 1.00 0.00 O ATOM 965 CB ALA A 66 -2.296 10.406 -5.497 1.00 0.00 C ATOM 0 H ALA A 66 0.097 9.869 -5.516 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.322 12.045 -6.441 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.282 10.866 -5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.144 9.739 -6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.229 9.836 -4.571 1.00 0.00 H new ATOM 971 N CYS A 67 -0.792 12.165 -3.229 1.00 0.00 N ATOM 972 CA CYS A 67 -0.874 13.021 -2.058 1.00 0.00 C ATOM 973 C CYS A 67 0.040 14.228 -2.281 1.00 0.00 C ATOM 974 O CYS A 67 -0.363 15.367 -2.049 1.00 0.00 O ATOM 975 CB CYS A 67 -0.516 12.263 -0.778 1.00 0.00 C ATOM 976 SG CYS A 67 0.089 13.314 0.593 1.00 0.00 S ATOM 0 H CYS A 67 -0.242 11.316 -3.099 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.900 13.363 -1.925 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.396 11.717 -0.438 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.248 11.522 -1.013 1.00 0.00 H new ATOM 981 N ARG A 68 1.253 13.937 -2.727 1.00 0.00 N ATOM 982 CA ARG A 68 2.227 14.984 -2.984 1.00 0.00 C ATOM 983 C ARG A 68 1.597 16.103 -3.816 1.00 0.00 C ATOM 984 O ARG A 68 1.543 17.251 -3.379 1.00 0.00 O ATOM 985 CB ARG A 68 3.447 14.432 -3.724 1.00 0.00 C ATOM 986 CG ARG A 68 4.411 15.557 -4.108 1.00 0.00 C ATOM 987 CD ARG A 68 5.734 14.992 -4.628 1.00 0.00 C ATOM 988 NE ARG A 68 6.110 15.666 -5.891 1.00 0.00 N ATOM 989 CZ ARG A 68 5.529 15.423 -7.074 1.00 0.00 C ATOM 990 NH1 ARG A 68 4.542 14.522 -7.163 1.00 0.00 N ATOM 991 NH2 ARG A 68 5.936 16.082 -8.168 1.00 0.00 N ATOM 0 H ARG A 68 1.584 12.991 -2.917 1.00 0.00 H new ATOM 0 HA ARG A 68 2.549 15.380 -2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.962 13.707 -3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.124 13.903 -4.621 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.955 16.186 -4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.598 16.192 -3.242 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.517 15.134 -3.883 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.641 13.919 -4.793 1.00 0.00 H new ATOM 0 HE ARG A 68 6.858 16.359 -5.859 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.232 14.021 -6.330 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.100 14.337 -8.063 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.688 16.768 -8.100 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.494 15.897 -9.069 1.00 0.00 H new ATOM 1005 N ALA A 69 1.136 15.728 -5.000 1.00 0.00 N ATOM 1006 CA ALA A 69 0.512 16.685 -5.898 1.00 0.00 C ATOM 1007 C ALA A 69 -0.731 17.271 -5.226 1.00 0.00 C ATOM 1008 O ALA A 69 -0.984 18.472 -5.320 1.00 0.00 O ATOM 1009 CB ALA A 69 0.189 16.003 -7.228 1.00 0.00 C ATOM 0 H ALA A 69 1.182 14.774 -5.359 1.00 0.00 H new ATOM 0 HA ALA A 69 1.192 17.510 -6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.279 16.721 -7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.109 15.630 -7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.493 15.171 -7.054 1.00 0.00 H new ATOM 1015 N ALA A 70 -1.475 16.397 -4.564 1.00 0.00 N ATOM 1016 CA ALA A 70 -2.686 16.813 -3.877 1.00 0.00 C ATOM 1017 C ALA A 70 -2.318 17.752 -2.727 1.00 0.00 C ATOM 1018 O ALA A 70 -2.272 18.968 -2.904 1.00 0.00 O ATOM 1019 CB ALA A 70 -3.452 15.578 -3.399 1.00 0.00 C ATOM 0 H ALA A 70 -1.262 15.402 -4.489 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.342 17.361 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.360 15.890 -2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.716 14.959 -4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.826 15.004 -2.716 1.00 0.00 H new ATOM 1025 N ASN A 71 -2.064 17.152 -1.573 1.00 0.00 N ATOM 1026 CA ASN A 71 -1.701 17.919 -0.394 1.00 0.00 C ATOM 1027 C ASN A 71 -0.751 19.048 -0.798 1.00 0.00 C ATOM 1028 O ASN A 71 -1.111 20.222 -0.730 1.00 0.00 O ATOM 1029 CB ASN A 71 -0.984 17.043 0.635 1.00 0.00 C ATOM 1030 CG ASN A 71 -1.948 16.584 1.731 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -1.762 16.848 2.907 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -2.985 15.883 1.280 1.00 0.00 N ATOM 0 H ASN A 71 -2.103 16.143 -1.430 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.617 18.314 0.046 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.551 16.174 0.139 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.160 17.600 1.081 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.685 15.531 1.933 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.080 15.698 0.281 1.00 0.00 H new ATOM 1039 N CYS A 72 0.445 18.652 -1.211 1.00 0.00 N ATOM 1040 CA CYS A 72 1.450 19.616 -1.626 1.00 0.00 C ATOM 1041 C CYS A 72 1.153 20.028 -3.069 1.00 0.00 C ATOM 1042 O CYS A 72 1.817 19.570 -3.998 1.00 0.00 O ATOM 1043 CB CYS A 72 2.866 19.059 -1.471 1.00 0.00 C ATOM 1044 SG CYS A 72 3.146 18.088 0.055 1.00 0.00 S ATOM 0 H CYS A 72 0.740 17.677 -1.267 1.00 0.00 H new ATOM 0 HA CYS A 72 1.404 20.494 -0.982 1.00 0.00 H new ATOM 0 HB2 CYS A 72 3.090 18.429 -2.332 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.572 19.889 -1.491 1.00 0.00 H new ATOM 1049 N ALA A 73 0.156 20.889 -3.212 1.00 0.00 N ATOM 1050 CA ALA A 73 -0.236 21.368 -4.527 1.00 0.00 C ATOM 1051 C ALA A 73 0.605 22.593 -4.891 1.00 0.00 C ATOM 1052 O ALA A 73 0.786 22.898 -6.068 1.00 0.00 O ATOM 1053 CB ALA A 73 -1.736 21.668 -4.534 1.00 0.00 C ATOM 0 H ALA A 73 -0.392 21.267 -2.439 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.052 20.605 -5.284 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.031 22.027 -5.520 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.290 20.759 -4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.958 22.432 -3.788 1.00 0.00 H new ATOM 1059 N SER A 74 1.097 23.261 -3.858 1.00 0.00 N ATOM 1060 CA SER A 74 1.915 24.446 -4.054 1.00 0.00 C ATOM 1061 C SER A 74 3.368 24.147 -3.679 1.00 0.00 C ATOM 1062 O SER A 74 4.290 24.522 -4.402 1.00 0.00 O ATOM 1063 CB SER A 74 1.386 25.623 -3.232 1.00 0.00 C ATOM 1064 OG SER A 74 0.968 26.706 -4.058 1.00 0.00 O ATOM 0 H SER A 74 0.945 23.004 -2.883 1.00 0.00 H new ATOM 0 HA SER A 74 1.868 24.723 -5.107 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.548 25.290 -2.620 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.163 25.967 -2.549 1.00 0.00 H new ATOM 0 HG SER A 74 0.635 27.437 -3.496 1.00 0.00 H new ATOM 1070 N GLU A 75 3.527 23.473 -2.549 1.00 0.00 N ATOM 1071 CA GLU A 75 4.852 23.120 -2.069 1.00 0.00 C ATOM 1072 C GLU A 75 5.562 22.220 -3.084 1.00 0.00 C ATOM 1073 O GLU A 75 6.784 22.083 -3.049 1.00 0.00 O ATOM 1074 CB GLU A 75 4.777 22.446 -0.698 1.00 0.00 C ATOM 1075 CG GLU A 75 4.559 23.479 0.409 1.00 0.00 C ATOM 1076 CD GLU A 75 3.235 24.221 0.214 1.00 0.00 C ATOM 1077 OE1 GLU A 75 2.186 23.553 0.339 1.00 0.00 O ATOM 1078 OE2 GLU A 75 3.302 25.439 -0.056 1.00 0.00 O ATOM 0 H GLU A 75 2.760 23.162 -1.952 1.00 0.00 H new ATOM 0 HA GLU A 75 5.432 24.036 -1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.963 21.721 -0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.698 21.894 -0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.563 22.983 1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.383 24.193 0.413 1.00 0.00 H new ATOM 1085 N CYS A 76 4.765 21.632 -3.964 1.00 0.00 N ATOM 1086 CA CYS A 76 5.301 20.750 -4.986 1.00 0.00 C ATOM 1087 C CYS A 76 4.599 21.064 -6.309 1.00 0.00 C ATOM 1088 O CYS A 76 3.479 20.613 -6.544 1.00 0.00 O ATOM 1089 CB CYS A 76 5.153 19.277 -4.598 1.00 0.00 C ATOM 1090 SG CYS A 76 5.596 18.893 -2.864 1.00 0.00 S ATOM 0 H CYS A 76 3.752 21.749 -3.990 1.00 0.00 H new ATOM 0 HA CYS A 76 6.372 20.924 -5.093 1.00 0.00 H new ATOM 0 HB2 CYS A 76 4.121 18.972 -4.771 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.778 18.677 -5.260 1.00 0.00 H new ATOM 1095 N PRO A 77 5.304 21.857 -7.160 1.00 0.00 N ATOM 1096 CA PRO A 77 4.760 22.237 -8.452 1.00 0.00 C ATOM 1097 C PRO A 77 4.819 21.067 -9.437 1.00 0.00 C ATOM 1098 O PRO A 77 5.295 19.986 -9.095 1.00 0.00 O ATOM 1099 CB PRO A 77 5.594 23.428 -8.895 1.00 0.00 C ATOM 1100 CG PRO A 77 6.863 23.382 -8.060 1.00 0.00 C ATOM 1101 CD PRO A 77 6.633 22.410 -6.915 1.00 0.00 C ATOM 0 HA PRO A 77 3.704 22.503 -8.402 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.824 23.370 -9.959 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.056 24.362 -8.736 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.709 23.062 -8.668 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.104 24.374 -7.676 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.391 21.627 -6.902 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.680 22.916 -5.951 1.00 0.00 H new ATOM 1109 N LYS A 78 4.328 21.324 -10.641 1.00 0.00 N ATOM 1110 CA LYS A 78 4.319 20.306 -11.678 1.00 0.00 C ATOM 1111 C LYS A 78 5.616 20.394 -12.485 1.00 0.00 C ATOM 1112 O LYS A 78 5.584 20.487 -13.711 1.00 0.00 O ATOM 1113 CB LYS A 78 3.055 20.423 -12.532 1.00 0.00 C ATOM 1114 CG LYS A 78 2.347 19.071 -12.650 1.00 0.00 C ATOM 1115 CD LYS A 78 2.726 18.367 -13.955 1.00 0.00 C ATOM 1116 CE LYS A 78 3.702 17.217 -13.693 1.00 0.00 C ATOM 1117 NZ LYS A 78 4.908 17.358 -14.539 1.00 0.00 N ATOM 0 H LYS A 78 3.934 22.222 -10.921 1.00 0.00 H new ATOM 0 HA LYS A 78 4.286 19.311 -11.234 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.379 21.154 -12.089 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.315 20.789 -13.525 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.614 18.441 -11.802 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.267 19.217 -12.611 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.828 17.984 -14.440 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.178 19.083 -14.641 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.988 17.207 -12.641 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.215 16.264 -13.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.623 16.663 -14.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.655 17.193 -15.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.295 18.318 -14.435 1.00 0.00 H new ATOM 1131 N HIS A 79 6.727 20.362 -11.763 1.00 0.00 N ATOM 1132 CA HIS A 79 8.033 20.437 -12.397 1.00 0.00 C ATOM 1133 C HIS A 79 9.115 20.046 -11.389 1.00 0.00 C ATOM 1134 O HIS A 79 9.816 19.053 -11.579 1.00 0.00 O ATOM 1135 CB HIS A 79 8.262 21.822 -13.006 1.00 0.00 C ATOM 1136 CG HIS A 79 9.567 21.955 -13.755 1.00 0.00 C ATOM 1137 ND1 HIS A 79 10.341 23.102 -13.715 1.00 0.00 N ATOM 1138 CD2 HIS A 79 10.226 21.074 -14.561 1.00 0.00 C ATOM 1139 CE1 HIS A 79 11.414 22.909 -14.468 1.00 0.00 C ATOM 1140 NE2 HIS A 79 11.341 21.652 -14.991 1.00 0.00 N ATOM 0 H HIS A 79 6.750 20.285 -10.746 1.00 0.00 H new ATOM 0 HA HIS A 79 8.082 19.728 -13.224 1.00 0.00 H new ATOM 0 HB2 HIS A 79 7.440 22.050 -13.685 1.00 0.00 H new ATOM 0 HB3 HIS A 79 8.234 22.567 -12.211 1.00 0.00 H new ATOM 0 HD2 HIS A 79 9.897 20.075 -14.808 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.207 23.622 -14.638 1.00 0.00 H new ATOM 0 HE2 HIS A 79 12.030 21.226 -15.611 1.00 0.00 H new ATOM 1148 N GLU A 80 9.219 20.848 -10.339 1.00 0.00 N ATOM 1149 CA GLU A 80 10.204 20.598 -9.301 1.00 0.00 C ATOM 1150 C GLU A 80 9.746 19.450 -8.399 1.00 0.00 C ATOM 1151 O GLU A 80 8.615 19.450 -7.915 1.00 0.00 O ATOM 1152 CB GLU A 80 10.473 21.863 -8.484 1.00 0.00 C ATOM 1153 CG GLU A 80 11.105 22.953 -9.352 1.00 0.00 C ATOM 1154 CD GLU A 80 12.408 23.461 -8.732 1.00 0.00 C ATOM 1155 OE1 GLU A 80 13.409 22.719 -8.827 1.00 0.00 O ATOM 1156 OE2 GLU A 80 12.373 24.580 -8.176 1.00 0.00 O ATOM 0 H GLU A 80 8.637 21.671 -10.185 1.00 0.00 H new ATOM 0 HA GLU A 80 11.140 20.308 -9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.540 22.229 -8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.135 21.628 -7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 80 11.302 22.560 -10.349 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.406 23.781 -9.468 1.00 0.00 H new ATOM 1163 N HIS A 81 10.647 18.500 -8.200 1.00 0.00 N ATOM 1164 CA HIS A 81 10.350 17.348 -7.365 1.00 0.00 C ATOM 1165 C HIS A 81 11.518 17.090 -6.412 1.00 0.00 C ATOM 1166 O HIS A 81 11.798 15.944 -6.064 1.00 0.00 O ATOM 1167 CB HIS A 81 10.004 16.130 -8.223 1.00 0.00 C ATOM 1168 CG HIS A 81 11.017 15.832 -9.303 1.00 0.00 C ATOM 1169 ND1 HIS A 81 11.497 16.611 -10.314 1.00 0.00 N flip ATOM 1170 CD2 HIS A 81 11.653 14.607 -9.417 1.00 0.00 C flip ATOM 1171 CE1 HIS A 81 12.379 15.901 -11.008 1.00 0.00 C flip ATOM 1172 NE2 HIS A 81 12.476 14.659 -10.454 1.00 0.00 N flip ATOM 0 H HIS A 81 11.584 18.504 -8.603 1.00 0.00 H new ATOM 0 HA HIS A 81 9.469 17.553 -6.757 1.00 0.00 H new ATOM 0 HB2 HIS A 81 9.910 15.258 -7.576 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.030 16.289 -8.686 1.00 0.00 H new ATOM 0 HD1 HIS A 81 11.225 17.575 -10.505 1.00 0.00 H new ATOM 0 HD2 HIS A 81 11.504 13.755 -8.771 1.00 0.00 H new ATOM 0 HE1 HIS A 81 12.929 16.250 -11.869 1.00 0.00 H new ATOM 1180 N LYS A 82 12.168 18.175 -6.016 1.00 0.00 N ATOM 1181 CA LYS A 82 13.299 18.081 -5.109 1.00 0.00 C ATOM 1182 C LYS A 82 13.456 19.403 -4.356 1.00 0.00 C ATOM 1183 O LYS A 82 14.554 19.951 -4.279 1.00 0.00 O ATOM 1184 CB LYS A 82 14.558 17.651 -5.866 1.00 0.00 C ATOM 1185 CG LYS A 82 15.180 18.834 -6.611 1.00 0.00 C ATOM 1186 CD LYS A 82 15.629 18.423 -8.015 1.00 0.00 C ATOM 1187 CE LYS A 82 14.601 18.850 -9.065 1.00 0.00 C ATOM 1188 NZ LYS A 82 15.280 19.382 -10.268 1.00 0.00 N ATOM 0 H LYS A 82 11.933 19.124 -6.307 1.00 0.00 H new ATOM 0 HA LYS A 82 13.124 17.307 -4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.283 17.235 -5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.309 16.861 -6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.456 19.646 -6.680 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.033 19.214 -6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.594 18.877 -8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.768 17.343 -8.055 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.977 17.999 -9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.940 19.609 -8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.568 19.667 -10.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.857 20.206 -10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.893 18.647 -10.675 1.00 0.00 H new ATOM 1202 N SER A 83 12.341 19.878 -3.821 1.00 0.00 N ATOM 1203 CA SER A 83 12.340 21.126 -3.077 1.00 0.00 C ATOM 1204 C SER A 83 12.133 20.847 -1.587 1.00 0.00 C ATOM 1205 O SER A 83 11.287 20.035 -1.216 1.00 0.00 O ATOM 1206 CB SER A 83 11.258 22.076 -3.595 1.00 0.00 C ATOM 1207 OG SER A 83 10.026 21.401 -3.834 1.00 0.00 O ATOM 0 H SER A 83 11.432 19.421 -3.888 1.00 0.00 H new ATOM 0 HA SER A 83 13.307 21.609 -3.219 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.099 22.875 -2.870 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.599 22.546 -4.518 1.00 0.00 H new ATOM 0 HG SER A 83 9.279 21.996 -3.614 1.00 0.00 H new ATOM 1213 N ASP A 84 12.920 21.536 -0.774 1.00 0.00 N ATOM 1214 CA ASP A 84 12.833 21.373 0.668 1.00 0.00 C ATOM 1215 C ASP A 84 11.386 21.585 1.115 1.00 0.00 C ATOM 1216 O ASP A 84 10.856 20.806 1.906 1.00 0.00 O ATOM 1217 CB ASP A 84 13.707 22.399 1.392 1.00 0.00 C ATOM 1218 CG ASP A 84 15.181 22.396 0.984 1.00 0.00 C ATOM 1219 OD1 ASP A 84 15.894 21.477 1.439 1.00 0.00 O ATOM 1220 OD2 ASP A 84 15.562 23.314 0.225 1.00 0.00 O ATOM 0 H ASP A 84 13.621 22.208 -1.086 1.00 0.00 H new ATOM 0 HA ASP A 84 13.177 20.368 0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.298 23.393 1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.642 22.217 2.465 1.00 0.00 H new ATOM 1225 N THR A 85 10.786 22.642 0.588 1.00 0.00 N ATOM 1226 CA THR A 85 9.410 22.967 0.923 1.00 0.00 C ATOM 1227 C THR A 85 8.485 21.803 0.561 1.00 0.00 C ATOM 1228 O THR A 85 7.377 21.700 1.086 1.00 0.00 O ATOM 1229 CB THR A 85 9.046 24.274 0.216 1.00 0.00 C ATOM 1230 OG1 THR A 85 8.114 24.896 1.095 1.00 0.00 O ATOM 1231 CG2 THR A 85 8.249 24.043 -1.069 1.00 0.00 C ATOM 0 H THR A 85 11.228 23.285 -0.069 1.00 0.00 H new ATOM 0 HA THR A 85 9.289 23.117 1.996 1.00 0.00 H new ATOM 0 HB THR A 85 9.957 24.826 -0.016 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.826 25.752 0.714 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.017 25.003 -1.531 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.839 23.441 -1.760 1.00 0.00 H new ATOM 0 HG23 THR A 85 7.322 23.520 -0.833 1.00 0.00 H new ATOM 1239 N CYS A 86 8.974 20.956 -0.332 1.00 0.00 N ATOM 1240 CA CYS A 86 8.205 19.803 -0.770 1.00 0.00 C ATOM 1241 C CYS A 86 8.501 18.640 0.178 1.00 0.00 C ATOM 1242 O CYS A 86 7.614 18.175 0.892 1.00 0.00 O ATOM 1243 CB CYS A 86 8.505 19.444 -2.227 1.00 0.00 C ATOM 1244 SG CYS A 86 7.467 18.102 -2.915 1.00 0.00 S ATOM 0 H CYS A 86 9.893 21.045 -0.765 1.00 0.00 H new ATOM 0 HA CYS A 86 7.141 20.037 -0.734 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.375 20.336 -2.840 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.552 19.152 -2.307 1.00 0.00 H new ATOM 1249 N ARG A 87 9.752 18.202 0.153 1.00 0.00 N ATOM 1250 CA ARG A 87 10.176 17.102 1.002 1.00 0.00 C ATOM 1251 C ARG A 87 9.690 17.319 2.436 1.00 0.00 C ATOM 1252 O ARG A 87 9.507 16.361 3.186 1.00 0.00 O ATOM 1253 CB ARG A 87 11.700 16.963 1.003 1.00 0.00 C ATOM 1254 CG ARG A 87 12.235 16.792 -0.420 1.00 0.00 C ATOM 1255 CD ARG A 87 13.652 16.214 -0.407 1.00 0.00 C ATOM 1256 NE ARG A 87 13.604 14.763 -0.120 1.00 0.00 N ATOM 1257 CZ ARG A 87 13.121 13.845 -0.967 1.00 0.00 C ATOM 1258 NH1 ARG A 87 12.640 14.222 -2.160 1.00 0.00 N ATOM 1259 NH2 ARG A 87 13.117 12.550 -0.622 1.00 0.00 N ATOM 0 H ARG A 87 10.485 18.589 -0.442 1.00 0.00 H new ATOM 0 HA ARG A 87 9.739 16.187 0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.149 17.844 1.461 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.990 16.106 1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 87 11.575 16.133 -0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.236 17.755 -0.930 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.133 16.387 -1.370 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.254 16.722 0.346 1.00 0.00 H new ATOM 0 HE ARG A 87 13.961 14.442 0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.642 15.208 -2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.272 13.523 -2.805 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.482 12.263 0.286 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.749 11.851 -1.268 1.00 0.00 H new ATOM 1273 N ALA A 88 9.494 18.585 2.775 1.00 0.00 N ATOM 1274 CA ALA A 88 9.033 18.940 4.106 1.00 0.00 C ATOM 1275 C ALA A 88 7.524 18.705 4.198 1.00 0.00 C ATOM 1276 O ALA A 88 7.059 17.970 5.068 1.00 0.00 O ATOM 1277 CB ALA A 88 9.416 20.390 4.410 1.00 0.00 C ATOM 0 H ALA A 88 9.646 19.377 2.151 1.00 0.00 H new ATOM 0 HA ALA A 88 9.511 18.312 4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.070 20.656 5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.499 20.498 4.361 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.952 21.050 3.677 1.00 0.00 H new ATOM 1283 N CYS A 89 6.801 19.342 3.289 1.00 0.00 N ATOM 1284 CA CYS A 89 5.355 19.212 3.257 1.00 0.00 C ATOM 1285 C CYS A 89 5.005 17.724 3.333 1.00 0.00 C ATOM 1286 O CYS A 89 4.329 17.289 4.264 1.00 0.00 O ATOM 1287 CB CYS A 89 4.754 19.876 2.016 1.00 0.00 C ATOM 1288 SG CYS A 89 3.052 19.343 1.608 1.00 0.00 S ATOM 0 H CYS A 89 7.190 19.950 2.569 1.00 0.00 H new ATOM 0 HA CYS A 89 4.922 19.731 4.112 1.00 0.00 H new ATOM 0 HB2 CYS A 89 4.756 20.956 2.162 1.00 0.00 H new ATOM 0 HB3 CYS A 89 5.399 19.669 1.162 1.00 0.00 H new ATOM 1293 N MET A 90 5.482 16.985 2.342 1.00 0.00 N ATOM 1294 CA MET A 90 5.228 15.556 2.285 1.00 0.00 C ATOM 1295 C MET A 90 5.505 14.896 3.638 1.00 0.00 C ATOM 1296 O MET A 90 4.825 13.944 4.019 1.00 0.00 O ATOM 1297 CB MET A 90 6.119 14.921 1.216 1.00 0.00 C ATOM 1298 CG MET A 90 5.545 15.154 -0.184 1.00 0.00 C ATOM 1299 SD MET A 90 6.181 13.929 -1.316 1.00 0.00 S ATOM 1300 CE MET A 90 5.073 12.575 -0.961 1.00 0.00 C ATOM 0 H MET A 90 6.043 17.349 1.572 1.00 0.00 H new ATOM 0 HA MET A 90 4.178 15.402 2.034 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.123 15.342 1.276 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.211 13.851 1.402 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.457 15.102 -0.153 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.807 16.153 -0.532 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.406 11.683 -1.492 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.070 12.379 0.111 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.065 12.835 -1.285 1.00 0.00 H new ATOM 1310 N LYS A 91 6.505 15.427 4.326 1.00 0.00 N ATOM 1311 CA LYS A 91 6.880 14.901 5.628 1.00 0.00 C ATOM 1312 C LYS A 91 5.617 14.648 6.454 1.00 0.00 C ATOM 1313 O LYS A 91 5.389 13.533 6.920 1.00 0.00 O ATOM 1314 CB LYS A 91 7.886 15.830 6.311 1.00 0.00 C ATOM 1315 CG LYS A 91 8.775 15.054 7.284 1.00 0.00 C ATOM 1316 CD LYS A 91 10.064 15.822 7.581 1.00 0.00 C ATOM 1317 CE LYS A 91 9.901 16.712 8.815 1.00 0.00 C ATOM 1318 NZ LYS A 91 10.849 16.305 9.876 1.00 0.00 N ATOM 0 H LYS A 91 7.067 16.216 4.007 1.00 0.00 H new ATOM 0 HA LYS A 91 7.388 13.943 5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.505 16.319 5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.355 16.617 6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.233 14.873 8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.018 14.079 6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.882 15.119 7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.333 16.434 6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.074 17.754 8.545 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.879 16.644 9.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.725 16.919 10.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.666 15.317 10.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.823 16.392 9.523 1.00 0.00 H new ATOM 1332 N THR A 92 4.829 15.702 6.610 1.00 0.00 N ATOM 1333 CA THR A 92 3.596 15.608 7.372 1.00 0.00 C ATOM 1334 C THR A 92 2.412 15.345 6.439 1.00 0.00 C ATOM 1335 O THR A 92 1.705 14.350 6.593 1.00 0.00 O ATOM 1336 CB THR A 92 3.449 16.890 8.194 1.00 0.00 C ATOM 1337 OG1 THR A 92 4.348 16.709 9.284 1.00 0.00 O ATOM 1338 CG2 THR A 92 2.076 17.005 8.859 1.00 0.00 C ATOM 0 H THR A 92 5.021 16.625 6.221 1.00 0.00 H new ATOM 0 HA THR A 92 3.620 14.764 8.061 1.00 0.00 H new ATOM 0 HB THR A 92 3.614 17.754 7.551 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.318 17.496 9.867 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.025 17.932 9.430 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.300 17.007 8.094 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.924 16.158 9.528 1.00 0.00 H new ATOM 1346 N ASN A 93 2.232 16.255 5.493 1.00 0.00 N ATOM 1347 CA ASN A 93 1.146 16.133 4.535 1.00 0.00 C ATOM 1348 C ASN A 93 1.031 14.676 4.082 1.00 0.00 C ATOM 1349 O ASN A 93 -0.013 14.049 4.256 1.00 0.00 O ATOM 1350 CB ASN A 93 1.404 16.994 3.297 1.00 0.00 C ATOM 1351 CG ASN A 93 0.851 18.408 3.486 1.00 0.00 C ATOM 1352 OD1 ASN A 93 -0.179 18.777 2.947 1.00 0.00 O ATOM 1353 ND2 ASN A 93 1.590 19.176 4.281 1.00 0.00 N ATOM 0 H ASN A 93 2.820 17.080 5.369 1.00 0.00 H new ATOM 0 HA ASN A 93 0.229 16.466 5.021 1.00 0.00 H new ATOM 0 HB2 ASN A 93 2.475 17.042 3.100 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.940 16.532 2.426 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.305 20.137 4.471 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.442 18.804 4.701 1.00 0.00 H new ATOM 1360 N CYS A 94 2.118 14.180 3.511 1.00 0.00 N ATOM 1361 CA CYS A 94 2.153 12.809 3.032 1.00 0.00 C ATOM 1362 C CYS A 94 2.767 11.933 4.125 1.00 0.00 C ATOM 1363 O CYS A 94 3.901 11.475 3.995 1.00 0.00 O ATOM 1364 CB CYS A 94 2.915 12.690 1.710 1.00 0.00 C ATOM 1365 SG CYS A 94 2.109 13.506 0.284 1.00 0.00 S ATOM 0 H CYS A 94 2.982 14.703 3.369 1.00 0.00 H new ATOM 0 HA CYS A 94 1.139 12.469 2.823 1.00 0.00 H new ATOM 0 HB2 CYS A 94 3.910 13.117 1.840 1.00 0.00 H new ATOM 0 HB3 CYS A 94 3.049 11.633 1.478 1.00 0.00 H new ATOM 1370 N LYS A 95 1.992 11.727 5.180 1.00 0.00 N ATOM 1371 CA LYS A 95 2.445 10.915 6.295 1.00 0.00 C ATOM 1372 C LYS A 95 3.097 9.638 5.759 1.00 0.00 C ATOM 1373 O LYS A 95 2.720 8.534 6.148 1.00 0.00 O ATOM 1374 CB LYS A 95 1.296 10.655 7.272 1.00 0.00 C ATOM 1375 CG LYS A 95 1.798 10.639 8.717 1.00 0.00 C ATOM 1376 CD LYS A 95 2.191 9.224 9.145 1.00 0.00 C ATOM 1377 CE LYS A 95 3.688 9.141 9.453 1.00 0.00 C ATOM 1378 NZ LYS A 95 3.908 8.939 10.903 1.00 0.00 N ATOM 0 H LYS A 95 1.052 12.109 5.285 1.00 0.00 H new ATOM 0 HA LYS A 95 3.205 11.446 6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.534 11.426 7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.823 9.702 7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.656 11.304 8.815 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.021 11.021 9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.618 8.934 10.026 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.939 8.518 8.354 1.00 0.00 H new ATOM 0 HE2 LYS A 95 4.136 8.320 8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 95 4.184 10.056 9.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.929 8.885 11.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.498 9.736 11.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.452 8.054 11.203 1.00 0.00 H new