USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 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 102 GLN : amide:sc= 0.838 K(o=3.3,f=1.7) USER MOD Set 1.2: A 119 GLN : amide:sc= 2.5 K(o=3.3,f=-0.072) USER MOD Set 2.1: A 84 TYR OH : rot 35:sc= 0.0263 USER MOD Set 2.2: A 125 SER OG : rot -32:sc= 1.16 USER MOD Set 3.1: A 77 ASN : amide:sc= 1.03 K(o=1,f=-0.42) USER MOD Set 3.2: A 79 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 21 TYR OH : rot -153:sc= 0.00524 USER MOD Set 4.2: A 113 CYS SG : rot 84:sc= 0.0399 USER MOD Single : A 9 LYS NZ :NH3+ -169:sc= 1.19 (180deg=1.1) USER MOD Single : A 23 HIS : no HE2:sc= 0.176 K(o=0.18,f=-2.6!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0.215 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.233 X(o=-0.23,f=-0.43) USER MOD Single : A 57 SER OG : rot 180:sc= -0.477 USER MOD Single : A 61 LYS NZ :NH3+ -148:sc= 1.27 (180deg=0.958) USER MOD Single : A 72 CYS SG : rot 131:sc= -0.577 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 1.22 K(o=1.2,f=-8.2!) USER MOD Single : A 82 HIS : no HE2:sc= 0.822 K(o=0.82,f=-2.7!) USER MOD Single : A 85 GLN : amide:sc= 0.0501 K(o=0.05,f=-1.4) USER MOD Single : A 94 SER OG : rot 82:sc= 1.3 USER MOD Single : A 95 SER OG : rot 78:sc= 0.971 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -175:sc= -0.0741 (180deg=-0.0849) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= -0.141 (180deg=-0.141) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0.00684 USER MOD Single : A 112 ASN : amide:sc= 0.00122 K(o=0.0012,f=-0.8) USER MOD Single : A 115 HIS : no HE2:sc= 0.61 K(o=0.61,f=-3!) USER MOD Single : A 118 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N GLU A 7 4.827 -3.835 7.150 1.00 0.00 N ATOM 90 CA GLU A 7 5.296 -3.020 8.284 1.00 0.00 C ATOM 91 C GLU A 7 4.142 -2.116 8.755 1.00 0.00 C ATOM 92 O GLU A 7 3.931 -1.054 8.156 1.00 0.00 O ATOM 93 CB GLU A 7 6.586 -2.216 8.021 1.00 0.00 C ATOM 94 CG GLU A 7 7.155 -1.665 9.337 1.00 0.00 C ATOM 95 CD GLU A 7 8.423 -0.838 9.085 1.00 0.00 C ATOM 96 OE1 GLU A 7 8.296 0.386 8.850 1.00 0.00 O ATOM 97 OE2 GLU A 7 9.541 -1.404 9.123 1.00 0.00 O ATOM 0 HA GLU A 7 5.585 -3.712 9.075 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.326 -2.853 7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.376 -1.394 7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.405 -1.047 9.831 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.383 -2.490 10.012 1.00 0.00 H new ATOM 104 N PRO A 8 3.375 -2.526 9.790 1.00 0.00 N ATOM 105 CA PRO A 8 2.256 -1.761 10.331 1.00 0.00 C ATOM 106 C PRO A 8 2.653 -0.346 10.748 1.00 0.00 C ATOM 107 O PRO A 8 3.609 -0.143 11.500 1.00 0.00 O ATOM 108 CB PRO A 8 1.705 -2.586 11.494 1.00 0.00 C ATOM 109 CG PRO A 8 2.032 -4.012 11.064 1.00 0.00 C ATOM 110 CD PRO A 8 3.406 -3.840 10.420 1.00 0.00 C ATOM 0 HA PRO A 8 1.492 -1.603 9.570 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.182 -2.327 12.439 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.633 -2.437 11.627 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.061 -4.697 11.911 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.298 -4.405 10.361 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.200 -3.900 11.165 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.597 -4.623 9.686 1.00 0.00 H new ATOM 118 N LYS A 9 1.900 0.635 10.239 1.00 0.00 N ATOM 119 CA LYS A 9 2.099 2.065 10.497 1.00 0.00 C ATOM 120 C LYS A 9 1.045 2.578 11.500 1.00 0.00 C ATOM 121 O LYS A 9 -0.100 2.115 11.457 1.00 0.00 O ATOM 122 CB LYS A 9 2.020 2.843 9.169 1.00 0.00 C ATOM 123 CG LYS A 9 2.966 2.348 8.059 1.00 0.00 C ATOM 124 CD LYS A 9 4.435 2.214 8.497 1.00 0.00 C ATOM 125 CE LYS A 9 5.335 2.172 7.249 1.00 0.00 C ATOM 126 NZ LYS A 9 6.775 2.345 7.581 1.00 0.00 N ATOM 0 H LYS A 9 1.112 0.450 9.618 1.00 0.00 H new ATOM 0 HA LYS A 9 3.084 2.221 10.936 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.996 2.795 8.799 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.238 3.892 9.368 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.615 1.380 7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.911 3.037 7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.715 3.053 9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.569 1.308 9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.195 1.221 6.736 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.028 2.956 6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.317 2.496 6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.891 3.168 8.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.125 1.492 8.062 1.00 0.00 H new ATOM 140 N PRO A 10 1.393 3.514 12.406 1.00 0.00 N ATOM 141 CA PRO A 10 0.482 3.946 13.459 1.00 0.00 C ATOM 142 C PRO A 10 -0.711 4.685 12.843 1.00 0.00 C ATOM 143 O PRO A 10 -0.539 5.644 12.089 1.00 0.00 O ATOM 144 CB PRO A 10 1.333 4.757 14.444 1.00 0.00 C ATOM 145 CG PRO A 10 2.450 5.312 13.558 1.00 0.00 C ATOM 146 CD PRO A 10 2.681 4.186 12.546 1.00 0.00 C ATOM 0 HA PRO A 10 0.022 3.127 14.012 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.757 5.554 14.914 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.727 4.133 15.246 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.153 6.240 13.068 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.350 5.529 14.133 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.022 4.582 11.590 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.448 3.495 12.897 1.00 0.00 H new ATOM 154 N GLY A 11 -1.921 4.187 13.123 1.00 0.00 N ATOM 155 CA GLY A 11 -3.178 4.673 12.544 1.00 0.00 C ATOM 156 C GLY A 11 -3.543 4.057 11.192 1.00 0.00 C ATOM 157 O GLY A 11 -4.388 4.615 10.493 1.00 0.00 O ATOM 0 H GLY A 11 -2.056 3.415 13.776 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.986 4.475 13.248 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.114 5.755 12.429 1.00 0.00 H new ATOM 161 N ASP A 12 -2.914 2.950 10.795 1.00 0.00 N ATOM 162 CA ASP A 12 -3.272 2.152 9.610 1.00 0.00 C ATOM 163 C ASP A 12 -3.594 0.688 9.977 1.00 0.00 C ATOM 164 O ASP A 12 -3.299 0.229 11.085 1.00 0.00 O ATOM 165 CB ASP A 12 -2.141 2.236 8.568 1.00 0.00 C ATOM 166 CG ASP A 12 -2.604 2.026 7.110 1.00 0.00 C ATOM 167 OD1 ASP A 12 -3.812 1.786 6.872 1.00 0.00 O ATOM 168 OD2 ASP A 12 -1.745 2.153 6.207 1.00 0.00 O ATOM 0 H ASP A 12 -2.116 2.568 11.302 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.181 2.569 9.177 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.661 3.211 8.648 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.385 1.488 8.808 1.00 0.00 H new ATOM 173 N LEU A 13 -4.219 -0.040 9.043 1.00 0.00 N ATOM 174 CA LEU A 13 -4.799 -1.367 9.273 1.00 0.00 C ATOM 175 C LEU A 13 -4.209 -2.496 8.411 1.00 0.00 C ATOM 176 O LEU A 13 -3.646 -2.295 7.335 1.00 0.00 O ATOM 177 CB LEU A 13 -6.344 -1.288 9.235 1.00 0.00 C ATOM 178 CG LEU A 13 -6.959 -0.776 7.918 1.00 0.00 C ATOM 179 CD1 LEU A 13 -7.398 -1.946 7.034 1.00 0.00 C ATOM 180 CD2 LEU A 13 -8.177 0.113 8.221 1.00 0.00 C ATOM 0 H LEU A 13 -4.338 0.286 8.084 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.502 -1.668 10.278 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.744 -2.281 9.439 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.675 -0.638 10.045 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.201 -0.198 7.389 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.829 -1.562 6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.535 -2.569 6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.143 -2.541 7.562 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.607 0.472 7.286 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.923 -0.466 8.765 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.865 0.964 8.827 1.00 0.00 H new ATOM 192 N ILE A 14 -4.324 -3.706 8.959 1.00 0.00 N ATOM 193 CA ILE A 14 -3.566 -4.922 8.642 1.00 0.00 C ATOM 194 C ILE A 14 -4.550 -6.073 8.378 1.00 0.00 C ATOM 195 O ILE A 14 -5.558 -6.179 9.078 1.00 0.00 O ATOM 196 CB ILE A 14 -2.676 -5.331 9.859 1.00 0.00 C ATOM 197 CG1 ILE A 14 -2.022 -4.162 10.645 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.584 -6.321 9.407 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.427 -4.610 11.988 1.00 0.00 C ATOM 0 H ILE A 14 -5.006 -3.877 9.698 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.943 -4.729 7.769 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.370 -5.793 10.561 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.237 -3.714 10.036 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.768 -3.387 10.823 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.969 -6.600 10.263 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.052 -7.213 8.990 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.958 -5.851 8.648 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.984 -3.752 12.494 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.215 -5.032 12.612 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.660 -5.364 11.813 1.00 0.00 H new ATOM 211 N GLU A 15 -4.238 -6.947 7.421 1.00 0.00 N ATOM 212 CA GLU A 15 -4.924 -8.222 7.187 1.00 0.00 C ATOM 213 C GLU A 15 -4.004 -9.338 7.703 1.00 0.00 C ATOM 214 O GLU A 15 -2.845 -9.421 7.291 1.00 0.00 O ATOM 215 CB GLU A 15 -5.211 -8.434 5.692 1.00 0.00 C ATOM 216 CG GLU A 15 -6.280 -7.475 5.170 1.00 0.00 C ATOM 217 CD GLU A 15 -6.633 -7.788 3.707 1.00 0.00 C ATOM 218 OE1 GLU A 15 -7.535 -8.629 3.466 1.00 0.00 O ATOM 219 OE2 GLU A 15 -6.009 -7.203 2.789 1.00 0.00 O ATOM 0 H GLU A 15 -3.475 -6.783 6.764 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.882 -8.227 7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.291 -8.295 5.124 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.535 -9.462 5.528 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.175 -7.551 5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.923 -6.448 5.250 1.00 0.00 H new ATOM 226 N ILE A 16 -4.498 -10.174 8.620 1.00 0.00 N ATOM 227 CA ILE A 16 -3.709 -11.175 9.361 1.00 0.00 C ATOM 228 C ILE A 16 -4.336 -12.567 9.216 1.00 0.00 C ATOM 229 O ILE A 16 -5.491 -12.783 9.589 1.00 0.00 O ATOM 230 CB ILE A 16 -3.602 -10.779 10.861 1.00 0.00 C ATOM 231 CG1 ILE A 16 -3.024 -9.354 11.050 1.00 0.00 C ATOM 232 CG2 ILE A 16 -2.734 -11.810 11.616 1.00 0.00 C ATOM 233 CD1 ILE A 16 -2.999 -8.847 12.497 1.00 0.00 C ATOM 0 H ILE A 16 -5.485 -10.177 8.878 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.704 -11.205 8.939 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.611 -10.776 11.273 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.007 -9.337 10.658 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.609 -8.659 10.448 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.663 -11.527 12.666 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.190 -12.797 11.536 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.736 -11.835 11.179 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.577 -7.842 12.523 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.015 -8.825 12.892 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.387 -9.513 13.105 1.00 0.00 H new ATOM 245 N PHE A 17 -3.547 -13.548 8.773 1.00 0.00 N ATOM 246 CA PHE A 17 -3.918 -14.968 8.752 1.00 0.00 C ATOM 247 C PHE A 17 -3.748 -15.588 10.154 1.00 0.00 C ATOM 248 O PHE A 17 -2.898 -16.453 10.364 1.00 0.00 O ATOM 249 CB PHE A 17 -3.085 -15.701 7.678 1.00 0.00 C ATOM 250 CG PHE A 17 -3.419 -15.340 6.242 1.00 0.00 C ATOM 251 CD1 PHE A 17 -2.870 -14.186 5.648 1.00 0.00 C ATOM 252 CD2 PHE A 17 -4.260 -16.177 5.485 1.00 0.00 C ATOM 253 CE1 PHE A 17 -3.168 -13.866 4.313 1.00 0.00 C ATOM 254 CE2 PHE A 17 -4.551 -15.863 4.146 1.00 0.00 C ATOM 255 CZ PHE A 17 -4.010 -14.705 3.560 1.00 0.00 C ATOM 0 H PHE A 17 -2.610 -13.375 8.410 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.970 -15.074 8.486 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.030 -15.490 7.853 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.221 -16.775 7.807 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.217 -13.545 6.222 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.683 -17.063 5.934 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.751 -12.976 3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.191 -16.512 3.567 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.240 -14.460 2.534 1.00 0.00 H new ATOM 265 N ARG A 18 -4.551 -15.133 11.128 1.00 0.00 N ATOM 266 CA ARG A 18 -4.467 -15.593 12.531 1.00 0.00 C ATOM 267 C ARG A 18 -4.736 -17.092 12.692 1.00 0.00 C ATOM 268 O ARG A 18 -4.122 -17.718 13.558 1.00 0.00 O ATOM 269 CB ARG A 18 -5.365 -14.720 13.434 1.00 0.00 C ATOM 270 CG ARG A 18 -5.336 -15.086 14.930 1.00 0.00 C ATOM 271 CD ARG A 18 -3.926 -15.082 15.545 1.00 0.00 C ATOM 272 NE ARG A 18 -3.951 -15.573 16.936 1.00 0.00 N ATOM 273 CZ ARG A 18 -3.888 -16.841 17.331 1.00 0.00 C ATOM 274 NH1 ARG A 18 -3.816 -17.848 16.481 1.00 0.00 N ATOM 275 NH2 ARG A 18 -3.896 -17.119 18.617 1.00 0.00 N ATOM 0 H ARG A 18 -5.278 -14.436 10.970 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.436 -15.463 12.859 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.062 -13.679 13.324 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.393 -14.792 13.078 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.963 -14.383 15.478 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.776 -16.075 15.061 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.264 -15.708 14.947 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.518 -14.072 15.520 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.024 -14.868 17.669 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.807 -17.668 15.477 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.769 -18.806 16.828 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.950 -16.365 19.301 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.848 -18.089 18.929 1.00 0.00 H new ATOM 289 N LEU A 19 -5.623 -17.648 11.858 1.00 0.00 N ATOM 290 CA LEU A 19 -6.024 -19.063 11.881 1.00 0.00 C ATOM 291 C LEU A 19 -6.745 -19.526 10.597 1.00 0.00 C ATOM 292 O LEU A 19 -7.622 -20.388 10.624 1.00 0.00 O ATOM 293 CB LEU A 19 -6.748 -19.361 13.221 1.00 0.00 C ATOM 294 CG LEU A 19 -7.887 -18.407 13.648 1.00 0.00 C ATOM 295 CD1 LEU A 19 -9.058 -18.372 12.660 1.00 0.00 C ATOM 296 CD2 LEU A 19 -8.410 -18.816 15.032 1.00 0.00 C ATOM 0 H LEU A 19 -6.095 -17.113 11.129 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.136 -19.695 11.860 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.158 -20.369 13.164 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.999 -19.366 14.013 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.459 -17.405 13.670 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.820 -17.682 13.023 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.702 -18.039 11.685 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.486 -19.370 12.568 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.213 -18.142 15.331 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.790 -19.837 14.990 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.599 -18.760 15.759 1.00 0.00 H new ATOM 308 N GLY A 20 -6.367 -18.932 9.454 1.00 0.00 N ATOM 309 CA GLY A 20 -6.887 -19.243 8.113 1.00 0.00 C ATOM 310 C GLY A 20 -8.090 -18.396 7.677 1.00 0.00 C ATOM 311 O GLY A 20 -8.373 -18.299 6.484 1.00 0.00 O ATOM 0 H GLY A 20 -5.664 -18.193 9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.085 -19.110 7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.171 -20.295 8.084 1.00 0.00 H new ATOM 315 N TYR A 21 -8.784 -17.757 8.626 1.00 0.00 N ATOM 316 CA TYR A 21 -10.006 -16.969 8.390 1.00 0.00 C ATOM 317 C TYR A 21 -9.765 -15.602 7.716 1.00 0.00 C ATOM 318 O TYR A 21 -10.632 -15.138 6.976 1.00 0.00 O ATOM 319 CB TYR A 21 -10.678 -16.786 9.756 1.00 0.00 C ATOM 320 CG TYR A 21 -11.968 -15.985 9.760 1.00 0.00 C ATOM 321 CD1 TYR A 21 -13.194 -16.604 9.447 1.00 0.00 C ATOM 322 CD2 TYR A 21 -11.944 -14.620 10.114 1.00 0.00 C ATOM 323 CE1 TYR A 21 -14.392 -15.866 9.491 1.00 0.00 C ATOM 324 CE2 TYR A 21 -13.136 -13.876 10.153 1.00 0.00 C ATOM 325 CZ TYR A 21 -14.367 -14.497 9.845 1.00 0.00 C ATOM 326 OH TYR A 21 -15.525 -13.784 9.886 1.00 0.00 O ATOM 0 H TYR A 21 -8.506 -17.772 9.607 1.00 0.00 H new ATOM 0 HA TYR A 21 -10.636 -17.510 7.684 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.884 -17.772 10.172 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.969 -16.299 10.426 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -13.215 -17.648 9.172 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -11.005 -14.144 10.356 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -15.330 -16.345 9.254 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -13.111 -12.829 10.418 1.00 0.00 H new ATOM 0 HH TYR A 21 -15.333 -12.838 9.716 1.00 0.00 H new ATOM 336 N GLU A 22 -8.602 -14.986 7.982 1.00 0.00 N ATOM 337 CA GLU A 22 -8.180 -13.625 7.599 1.00 0.00 C ATOM 338 C GLU A 22 -8.916 -12.575 8.457 1.00 0.00 C ATOM 339 O GLU A 22 -10.067 -12.221 8.200 1.00 0.00 O ATOM 340 CB GLU A 22 -8.322 -13.330 6.090 1.00 0.00 C ATOM 341 CG GLU A 22 -7.461 -14.260 5.229 1.00 0.00 C ATOM 342 CD GLU A 22 -7.724 -14.030 3.733 1.00 0.00 C ATOM 343 OE1 GLU A 22 -7.222 -13.032 3.165 1.00 0.00 O ATOM 344 OE2 GLU A 22 -8.443 -14.850 3.112 1.00 0.00 O ATOM 0 H GLU A 22 -7.873 -15.463 8.513 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.111 -13.561 7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.367 -13.434 5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.039 -12.295 5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.407 -14.089 5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.675 -15.298 5.484 1.00 0.00 H new ATOM 351 N HIS A 23 -8.242 -12.074 9.497 1.00 0.00 N ATOM 352 CA HIS A 23 -8.764 -11.061 10.418 1.00 0.00 C ATOM 353 C HIS A 23 -8.182 -9.671 10.108 1.00 0.00 C ATOM 354 O HIS A 23 -7.021 -9.553 9.712 1.00 0.00 O ATOM 355 CB HIS A 23 -8.398 -11.427 11.868 1.00 0.00 C ATOM 356 CG HIS A 23 -9.044 -12.679 12.409 1.00 0.00 C ATOM 357 ND1 HIS A 23 -9.940 -12.751 13.456 1.00 0.00 N ATOM 358 CD2 HIS A 23 -8.754 -13.966 12.039 1.00 0.00 C ATOM 359 CE1 HIS A 23 -10.176 -14.052 13.702 1.00 0.00 C ATOM 360 NE2 HIS A 23 -9.475 -14.834 12.863 1.00 0.00 N ATOM 0 H HIS A 23 -7.293 -12.370 9.727 1.00 0.00 H new ATOM 0 HA HIS A 23 -9.847 -11.033 10.294 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.316 -11.541 11.932 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.669 -10.592 12.514 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -10.349 -11.960 13.954 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.083 -14.259 11.246 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -10.840 -14.419 14.471 1.00 0.00 H new ATOM 368 N TRP A 24 -8.957 -8.613 10.363 1.00 0.00 N ATOM 369 CA TRP A 24 -8.450 -7.240 10.328 1.00 0.00 C ATOM 370 C TRP A 24 -7.869 -6.819 11.692 1.00 0.00 C ATOM 371 O TRP A 24 -8.353 -7.246 12.746 1.00 0.00 O ATOM 372 CB TRP A 24 -9.566 -6.267 9.940 1.00 0.00 C ATOM 373 CG TRP A 24 -10.153 -6.383 8.569 1.00 0.00 C ATOM 374 CD1 TRP A 24 -11.384 -6.868 8.311 1.00 0.00 C ATOM 375 CD2 TRP A 24 -9.635 -5.913 7.284 1.00 0.00 C ATOM 376 NE1 TRP A 24 -11.658 -6.773 6.962 1.00 0.00 N ATOM 377 CE2 TRP A 24 -10.627 -6.157 6.284 1.00 0.00 C ATOM 378 CE3 TRP A 24 -8.455 -5.263 6.866 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -10.457 -5.778 4.944 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -8.279 -4.868 5.524 1.00 0.00 C ATOM 381 CH2 TRP A 24 -9.272 -5.127 4.564 1.00 0.00 C ATOM 0 H TRP A 24 -9.947 -8.684 10.598 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.656 -7.207 9.582 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.375 -6.383 10.661 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.180 -5.254 10.054 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -12.058 -7.272 9.052 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.513 -7.114 6.523 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -7.674 -5.065 7.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.227 -5.984 4.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -7.372 -4.361 5.231 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.124 -4.826 3.537 1.00 0.00 H new ATOM 392 N ALA A 25 -6.896 -5.903 11.676 1.00 0.00 N ATOM 393 CA ALA A 25 -6.374 -5.230 12.871 1.00 0.00 C ATOM 394 C ALA A 25 -5.892 -3.795 12.576 1.00 0.00 C ATOM 395 O ALA A 25 -5.494 -3.509 11.455 1.00 0.00 O ATOM 396 CB ALA A 25 -5.247 -6.092 13.459 1.00 0.00 C ATOM 0 H ALA A 25 -6.439 -5.602 10.815 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.180 -5.126 13.598 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.845 -5.608 14.349 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.640 -7.073 13.726 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.454 -6.208 12.720 1.00 0.00 H new ATOM 402 N LEU A 26 -5.896 -2.910 13.575 1.00 0.00 N ATOM 403 CA LEU A 26 -5.423 -1.518 13.517 1.00 0.00 C ATOM 404 C LEU A 26 -4.219 -1.367 14.452 1.00 0.00 C ATOM 405 O LEU A 26 -4.336 -1.660 15.638 1.00 0.00 O ATOM 406 CB LEU A 26 -6.584 -0.609 13.983 1.00 0.00 C ATOM 407 CG LEU A 26 -6.528 0.904 13.656 1.00 0.00 C ATOM 408 CD1 LEU A 26 -5.238 1.624 14.075 1.00 0.00 C ATOM 409 CD2 LEU A 26 -6.787 1.167 12.168 1.00 0.00 C ATOM 0 H LEU A 26 -6.249 -3.156 14.500 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.119 -1.242 12.507 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.505 -1.005 13.555 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.667 -0.709 15.065 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.326 1.326 14.267 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.303 2.677 13.800 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.107 1.538 15.154 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.387 1.169 13.569 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.740 2.239 11.974 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.031 0.657 11.571 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.775 0.792 11.899 1.00 0.00 H new ATOM 421 N TYR A 27 -3.083 -0.883 13.956 1.00 0.00 N ATOM 422 CA TYR A 27 -1.884 -0.611 14.760 1.00 0.00 C ATOM 423 C TYR A 27 -2.016 0.736 15.495 1.00 0.00 C ATOM 424 O TYR A 27 -1.864 1.806 14.903 1.00 0.00 O ATOM 425 CB TYR A 27 -0.674 -0.690 13.820 1.00 0.00 C ATOM 426 CG TYR A 27 0.697 -0.719 14.471 1.00 0.00 C ATOM 427 CD1 TYR A 27 1.177 -1.893 15.081 1.00 0.00 C ATOM 428 CD2 TYR A 27 1.548 0.393 14.352 1.00 0.00 C ATOM 429 CE1 TYR A 27 2.508 -1.959 15.540 1.00 0.00 C ATOM 430 CE2 TYR A 27 2.878 0.339 14.798 1.00 0.00 C ATOM 431 CZ TYR A 27 3.368 -0.850 15.378 1.00 0.00 C ATOM 432 OH TYR A 27 4.674 -0.929 15.756 1.00 0.00 O ATOM 0 H TYR A 27 -2.963 -0.663 12.967 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.753 -1.350 15.551 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.778 -1.585 13.207 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.712 0.165 13.145 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.524 -2.745 15.198 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.173 1.304 13.910 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.871 -2.858 16.016 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.521 1.201 14.698 1.00 0.00 H new ATOM 0 HH TYR A 27 5.120 -0.076 15.572 1.00 0.00 H new ATOM 442 N ILE A 28 -2.364 0.692 16.788 1.00 0.00 N ATOM 443 CA ILE A 28 -2.693 1.894 17.591 1.00 0.00 C ATOM 444 C ILE A 28 -1.495 2.552 18.284 1.00 0.00 C ATOM 445 O ILE A 28 -1.616 3.689 18.743 1.00 0.00 O ATOM 446 CB ILE A 28 -3.807 1.609 18.625 1.00 0.00 C ATOM 447 CG1 ILE A 28 -3.532 0.374 19.510 1.00 0.00 C ATOM 448 CG2 ILE A 28 -5.165 1.520 17.914 1.00 0.00 C ATOM 449 CD1 ILE A 28 -4.370 0.382 20.796 1.00 0.00 C ATOM 0 H ILE A 28 -2.428 -0.179 17.316 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.053 2.613 16.855 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.825 2.448 19.321 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.748 -0.532 18.944 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.474 0.343 19.769 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.947 1.319 18.647 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.374 2.463 17.410 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.139 0.714 17.180 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.141 -0.506 21.385 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.135 1.273 21.378 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.429 0.385 20.540 1.00 0.00 H new ATOM 461 N GLY A 29 -0.346 1.879 18.367 1.00 0.00 N ATOM 462 CA GLY A 29 0.872 2.446 18.936 1.00 0.00 C ATOM 463 C GLY A 29 2.053 1.521 18.736 1.00 0.00 C ATOM 464 O GLY A 29 1.950 0.536 18.006 1.00 0.00 O ATOM 0 H GLY A 29 -0.237 0.920 18.039 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.079 3.410 18.471 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.727 2.630 20.001 1.00 0.00 H new ATOM 468 N ASP A 30 3.176 1.851 19.370 1.00 0.00 N ATOM 469 CA ASP A 30 4.439 1.145 19.170 1.00 0.00 C ATOM 470 C ASP A 30 4.351 -0.324 19.636 1.00 0.00 C ATOM 471 O ASP A 30 4.479 -0.648 20.822 1.00 0.00 O ATOM 472 CB ASP A 30 5.576 1.911 19.863 1.00 0.00 C ATOM 473 CG ASP A 30 6.937 1.226 19.654 1.00 0.00 C ATOM 474 OD1 ASP A 30 7.294 0.939 18.486 1.00 0.00 O ATOM 475 OD2 ASP A 30 7.655 0.993 20.656 1.00 0.00 O ATOM 0 H ASP A 30 3.236 2.618 20.039 1.00 0.00 H new ATOM 0 HA ASP A 30 4.657 1.109 18.103 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.618 2.929 19.475 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.367 1.985 20.930 1.00 0.00 H new ATOM 480 N GLY A 31 4.103 -1.212 18.674 1.00 0.00 N ATOM 481 CA GLY A 31 4.026 -2.659 18.838 1.00 0.00 C ATOM 482 C GLY A 31 2.710 -3.189 19.398 1.00 0.00 C ATOM 483 O GLY A 31 2.723 -4.270 19.980 1.00 0.00 O ATOM 0 H GLY A 31 3.942 -0.924 17.709 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.203 -3.126 17.869 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.834 -2.976 19.497 1.00 0.00 H new ATOM 487 N TYR A 32 1.578 -2.492 19.245 1.00 0.00 N ATOM 488 CA TYR A 32 0.272 -3.009 19.699 1.00 0.00 C ATOM 489 C TYR A 32 -0.926 -2.651 18.809 1.00 0.00 C ATOM 490 O TYR A 32 -0.945 -1.617 18.141 1.00 0.00 O ATOM 491 CB TYR A 32 0.060 -2.766 21.206 1.00 0.00 C ATOM 492 CG TYR A 32 -0.282 -1.364 21.676 1.00 0.00 C ATOM 493 CD1 TYR A 32 0.664 -0.326 21.580 1.00 0.00 C ATOM 494 CD2 TYR A 32 -1.504 -1.140 22.341 1.00 0.00 C ATOM 495 CE1 TYR A 32 0.388 0.935 22.138 1.00 0.00 C ATOM 496 CE2 TYR A 32 -1.782 0.119 22.908 1.00 0.00 C ATOM 497 CZ TYR A 32 -0.837 1.163 22.804 1.00 0.00 C ATOM 498 OH TYR A 32 -1.092 2.377 23.366 1.00 0.00 O ATOM 0 H TYR A 32 1.535 -1.570 18.812 1.00 0.00 H new ATOM 0 HA TYR A 32 0.321 -4.090 19.567 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.737 -3.430 21.539 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.969 -3.075 21.722 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.604 -0.498 21.077 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.230 -1.936 22.416 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.114 1.731 22.057 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -2.717 0.286 23.422 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.979 2.365 23.783 1.00 0.00 H new ATOM 508 N VAL A 33 -1.918 -3.551 18.787 1.00 0.00 N ATOM 509 CA VAL A 33 -3.042 -3.532 17.842 1.00 0.00 C ATOM 510 C VAL A 33 -4.411 -3.711 18.493 1.00 0.00 C ATOM 511 O VAL A 33 -4.537 -4.292 19.569 1.00 0.00 O ATOM 512 CB VAL A 33 -2.892 -4.631 16.756 1.00 0.00 C ATOM 513 CG1 VAL A 33 -1.666 -4.428 15.856 1.00 0.00 C ATOM 514 CG2 VAL A 33 -2.822 -6.060 17.323 1.00 0.00 C ATOM 0 H VAL A 33 -1.962 -4.332 19.442 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.001 -2.536 17.402 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.804 -4.523 16.169 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.619 -5.230 15.119 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.745 -3.469 15.344 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.762 -4.441 16.464 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.718 -6.772 16.504 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.964 -6.145 17.990 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.735 -6.277 17.878 1.00 0.00 H new ATOM 524 N ILE A 34 -5.433 -3.236 17.782 1.00 0.00 N ATOM 525 CA ILE A 34 -6.871 -3.451 18.024 1.00 0.00 C ATOM 526 C ILE A 34 -7.354 -4.410 16.930 1.00 0.00 C ATOM 527 O ILE A 34 -6.940 -4.262 15.788 1.00 0.00 O ATOM 528 CB ILE A 34 -7.609 -2.095 17.944 1.00 0.00 C ATOM 529 CG1 ILE A 34 -7.204 -1.190 19.128 1.00 0.00 C ATOM 530 CG2 ILE A 34 -9.138 -2.229 17.816 1.00 0.00 C ATOM 531 CD1 ILE A 34 -8.012 -1.356 20.415 1.00 0.00 C ATOM 0 H ILE A 34 -5.274 -2.649 16.963 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.065 -3.873 19.010 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.290 -1.618 17.017 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.154 -1.375 19.357 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.282 -0.151 18.807 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.587 -1.237 17.765 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.380 -2.784 16.910 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.530 -2.761 18.683 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.635 -0.669 21.172 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.061 -1.138 20.217 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.916 -2.380 20.775 1.00 0.00 H new ATOM 543 N HIS A 35 -8.207 -5.384 17.226 1.00 0.00 N ATOM 544 CA HIS A 35 -8.544 -6.465 16.284 1.00 0.00 C ATOM 545 C HIS A 35 -9.915 -7.103 16.587 1.00 0.00 C ATOM 546 O HIS A 35 -10.445 -6.954 17.688 1.00 0.00 O ATOM 547 CB HIS A 35 -7.407 -7.508 16.308 1.00 0.00 C ATOM 548 CG HIS A 35 -7.156 -8.114 17.671 1.00 0.00 C ATOM 549 ND1 HIS A 35 -7.555 -9.357 18.106 1.00 0.00 N ATOM 550 CD2 HIS A 35 -6.481 -7.528 18.712 1.00 0.00 C ATOM 551 CE1 HIS A 35 -7.139 -9.507 19.375 1.00 0.00 C ATOM 552 NE2 HIS A 35 -6.490 -8.407 19.797 1.00 0.00 N ATOM 0 H HIS A 35 -8.688 -5.454 18.123 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.634 -6.046 15.282 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.645 -8.306 15.605 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.489 -7.037 15.956 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -8.075 -10.044 17.561 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.020 -6.551 18.695 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.303 -10.390 19.974 1.00 0.00 H new ATOM 560 N LEU A 36 -10.495 -7.814 15.610 1.00 0.00 N ATOM 561 CA LEU A 36 -11.872 -8.328 15.672 1.00 0.00 C ATOM 562 C LEU A 36 -11.900 -9.849 15.895 1.00 0.00 C ATOM 563 O LEU A 36 -11.349 -10.615 15.099 1.00 0.00 O ATOM 564 CB LEU A 36 -12.571 -7.882 14.367 1.00 0.00 C ATOM 565 CG LEU A 36 -14.097 -8.071 14.203 1.00 0.00 C ATOM 566 CD1 LEU A 36 -14.495 -9.520 13.908 1.00 0.00 C ATOM 567 CD2 LEU A 36 -14.886 -7.526 15.399 1.00 0.00 C ATOM 0 H LEU A 36 -10.015 -8.052 14.742 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.410 -7.922 16.528 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.360 -6.821 14.232 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.089 -8.410 13.544 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.365 -7.480 13.327 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.578 -9.586 13.804 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.021 -9.846 12.982 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -14.170 -10.161 14.728 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.952 -7.683 15.234 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.578 -8.047 16.306 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.689 -6.460 15.509 1.00 0.00 H new ATOM 579 N ALA A 37 -12.583 -10.283 16.960 1.00 0.00 N ATOM 580 CA ALA A 37 -12.915 -11.683 17.236 1.00 0.00 C ATOM 581 C ALA A 37 -14.346 -11.965 16.708 1.00 0.00 C ATOM 582 O ALA A 37 -15.279 -11.351 17.232 1.00 0.00 O ATOM 583 CB ALA A 37 -12.798 -11.906 18.749 1.00 0.00 C ATOM 0 H ALA A 37 -12.931 -9.647 17.677 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.236 -12.372 16.734 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.040 -12.942 18.984 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.779 -11.690 19.071 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.491 -11.245 19.269 1.00 0.00 H new ATOM 589 N PRO A 38 -14.538 -12.809 15.665 1.00 0.00 N ATOM 590 CA PRO A 38 -15.820 -12.972 14.961 1.00 0.00 C ATOM 591 C PRO A 38 -16.995 -13.489 15.819 1.00 0.00 C ATOM 592 O PRO A 38 -16.771 -13.994 16.923 1.00 0.00 O ATOM 593 CB PRO A 38 -15.538 -13.949 13.810 1.00 0.00 C ATOM 594 CG PRO A 38 -14.058 -13.749 13.522 1.00 0.00 C ATOM 595 CD PRO A 38 -13.490 -13.489 14.913 1.00 0.00 C ATOM 0 HA PRO A 38 -16.156 -11.988 14.635 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.755 -14.978 14.096 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.150 -13.726 12.936 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.611 -14.628 13.058 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.884 -12.910 12.848 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.208 -14.423 15.398 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.591 -12.875 14.857 1.00 0.00 H new ATOM 603 N PRO A 39 -18.244 -13.416 15.297 1.00 0.00 N ATOM 604 CA PRO A 39 -19.431 -14.018 15.912 1.00 0.00 C ATOM 605 C PRO A 39 -19.303 -15.531 16.148 1.00 0.00 C ATOM 606 O PRO A 39 -18.461 -16.200 15.554 1.00 0.00 O ATOM 607 CB PRO A 39 -20.597 -13.717 14.962 1.00 0.00 C ATOM 608 CG PRO A 39 -20.145 -12.455 14.238 1.00 0.00 C ATOM 609 CD PRO A 39 -18.642 -12.688 14.092 1.00 0.00 C ATOM 0 HA PRO A 39 -19.580 -13.594 16.905 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -20.772 -14.538 14.267 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -21.528 -13.557 15.506 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -20.635 -12.342 13.271 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -20.364 -11.555 14.813 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -18.419 -13.263 13.193 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -18.104 -11.744 14.008 1.00 0.00 H new ATOM 842 N SER A 57 -22.246 -12.906 19.882 1.00 0.00 N ATOM 843 CA SER A 57 -21.743 -11.716 19.173 1.00 0.00 C ATOM 844 C SER A 57 -20.210 -11.711 18.987 1.00 0.00 C ATOM 845 O SER A 57 -19.472 -12.386 19.711 1.00 0.00 O ATOM 846 CB SER A 57 -22.132 -10.437 19.938 1.00 0.00 C ATOM 847 OG SER A 57 -23.506 -10.430 20.295 1.00 0.00 O ATOM 0 HA SER A 57 -22.203 -11.746 18.185 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.523 -10.353 20.838 1.00 0.00 H new ATOM 0 HB3 SER A 57 -21.913 -9.565 19.322 1.00 0.00 H new ATOM 0 HG SER A 57 -23.714 -9.604 20.780 1.00 0.00 H new ATOM 853 N ALA A 58 -19.725 -10.912 18.027 1.00 0.00 N ATOM 854 CA ALA A 58 -18.306 -10.594 17.861 1.00 0.00 C ATOM 855 C ALA A 58 -17.825 -9.695 19.012 1.00 0.00 C ATOM 856 O ALA A 58 -18.648 -9.036 19.650 1.00 0.00 O ATOM 857 CB ALA A 58 -18.127 -9.855 16.525 1.00 0.00 C ATOM 0 H ALA A 58 -20.321 -10.462 17.333 1.00 0.00 H new ATOM 0 HA ALA A 58 -17.720 -11.513 17.869 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.075 -9.609 16.383 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -18.464 -10.493 15.708 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -18.716 -8.938 16.535 1.00 0.00 H new ATOM 863 N GLU A 59 -16.512 -9.585 19.223 1.00 0.00 N ATOM 864 CA GLU A 59 -15.908 -8.656 20.188 1.00 0.00 C ATOM 865 C GLU A 59 -14.690 -7.942 19.582 1.00 0.00 C ATOM 866 O GLU A 59 -13.871 -8.568 18.907 1.00 0.00 O ATOM 867 CB GLU A 59 -15.513 -9.404 21.478 1.00 0.00 C ATOM 868 CG GLU A 59 -15.213 -8.441 22.635 1.00 0.00 C ATOM 869 CD GLU A 59 -14.947 -9.208 23.937 1.00 0.00 C ATOM 870 OE1 GLU A 59 -15.916 -9.544 24.656 1.00 0.00 O ATOM 871 OE2 GLU A 59 -13.762 -9.477 24.249 1.00 0.00 O ATOM 0 H GLU A 59 -15.825 -10.147 18.721 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.650 -7.897 20.438 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -16.320 -10.078 21.767 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.636 -10.022 21.284 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.346 -7.828 22.387 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.054 -7.762 22.775 1.00 0.00 H new ATOM 878 N VAL A 60 -14.561 -6.640 19.847 1.00 0.00 N ATOM 879 CA VAL A 60 -13.353 -5.853 19.539 1.00 0.00 C ATOM 880 C VAL A 60 -12.363 -5.999 20.698 1.00 0.00 C ATOM 881 O VAL A 60 -12.694 -5.692 21.843 1.00 0.00 O ATOM 882 CB VAL A 60 -13.668 -4.364 19.279 1.00 0.00 C ATOM 883 CG1 VAL A 60 -12.379 -3.580 18.984 1.00 0.00 C ATOM 884 CG2 VAL A 60 -14.622 -4.219 18.082 1.00 0.00 C ATOM 0 H VAL A 60 -15.299 -6.091 20.287 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.918 -6.240 18.618 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.140 -3.962 20.175 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.623 -2.533 18.804 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.705 -3.654 19.837 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.894 -3.997 18.101 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.834 -3.164 17.912 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -14.157 -4.644 17.192 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -15.552 -4.747 18.292 1.00 0.00 H new ATOM 894 N LYS A 61 -11.149 -6.463 20.395 1.00 0.00 N ATOM 895 CA LYS A 61 -10.107 -6.844 21.362 1.00 0.00 C ATOM 896 C LYS A 61 -8.769 -6.109 21.095 1.00 0.00 C ATOM 897 O LYS A 61 -8.629 -5.400 20.093 1.00 0.00 O ATOM 898 CB LYS A 61 -9.968 -8.385 21.324 1.00 0.00 C ATOM 899 CG LYS A 61 -11.292 -9.112 21.640 1.00 0.00 C ATOM 900 CD LYS A 61 -11.112 -10.631 21.768 1.00 0.00 C ATOM 901 CE LYS A 61 -10.541 -11.051 23.132 1.00 0.00 C ATOM 902 NZ LYS A 61 -11.596 -11.196 24.169 1.00 0.00 N ATOM 0 H LYS A 61 -10.848 -6.590 19.429 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.395 -6.535 22.367 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.618 -8.690 20.338 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.208 -8.695 22.042 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.706 -8.719 22.568 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.016 -8.900 20.853 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.074 -11.120 21.616 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.448 -10.981 20.978 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.009 -11.996 23.024 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.812 -10.311 23.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.206 -10.942 25.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.393 -10.566 23.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.929 -12.181 24.190 1.00 0.00 H new ATOM 916 N ARG A 62 -7.796 -6.240 22.009 1.00 0.00 N ATOM 917 CA ARG A 62 -6.522 -5.492 22.014 1.00 0.00 C ATOM 918 C ARG A 62 -5.366 -6.334 22.582 1.00 0.00 C ATOM 919 O ARG A 62 -5.554 -6.975 23.616 1.00 0.00 O ATOM 920 CB ARG A 62 -6.713 -4.223 22.870 1.00 0.00 C ATOM 921 CG ARG A 62 -5.519 -3.251 22.826 1.00 0.00 C ATOM 922 CD ARG A 62 -5.751 -1.992 23.682 1.00 0.00 C ATOM 923 NE ARG A 62 -5.963 -2.312 25.109 1.00 0.00 N ATOM 924 CZ ARG A 62 -5.042 -2.558 26.038 1.00 0.00 C ATOM 925 NH1 ARG A 62 -3.751 -2.551 25.774 1.00 0.00 N ATOM 926 NH2 ARG A 62 -5.415 -2.827 27.269 1.00 0.00 N ATOM 0 H ARG A 62 -7.873 -6.889 22.792 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.260 -5.235 20.988 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.607 -3.700 22.531 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.890 -4.518 23.904 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.624 -3.765 23.176 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.333 -2.955 21.793 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.893 -1.327 23.585 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.618 -1.452 23.301 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.934 -2.349 25.420 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.425 -2.352 24.828 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.078 -2.745 26.515 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.406 -2.847 27.509 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.713 -3.016 27.985 1.00 0.00 H new ATOM 940 N GLU A 63 -4.171 -6.240 21.975 1.00 0.00 N ATOM 941 CA GLU A 63 -2.895 -6.832 22.445 1.00 0.00 C ATOM 942 C GLU A 63 -1.714 -6.447 21.534 1.00 0.00 C ATOM 943 O GLU A 63 -1.880 -5.670 20.586 1.00 0.00 O ATOM 944 CB GLU A 63 -2.979 -8.367 22.677 1.00 0.00 C ATOM 945 CG GLU A 63 -3.240 -9.187 21.406 1.00 0.00 C ATOM 946 CD GLU A 63 -3.605 -10.655 21.711 1.00 0.00 C ATOM 947 OE1 GLU A 63 -4.489 -10.913 22.566 1.00 0.00 O ATOM 948 OE2 GLU A 63 -3.035 -11.568 21.071 1.00 0.00 O ATOM 0 H GLU A 63 -4.057 -5.726 21.101 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.704 -6.395 23.425 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.046 -8.706 23.128 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.773 -8.571 23.396 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.049 -8.725 20.840 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.353 -9.161 20.773 1.00 0.00 H new ATOM 955 N ARG A 64 -0.508 -6.951 21.827 1.00 0.00 N ATOM 956 CA ARG A 64 0.708 -6.630 21.068 1.00 0.00 C ATOM 957 C ARG A 64 0.753 -7.288 19.681 1.00 0.00 C ATOM 958 O ARG A 64 0.254 -8.396 19.482 1.00 0.00 O ATOM 959 CB ARG A 64 1.974 -6.930 21.891 1.00 0.00 C ATOM 960 CG ARG A 64 2.155 -5.873 22.994 1.00 0.00 C ATOM 961 CD ARG A 64 3.608 -5.793 23.481 1.00 0.00 C ATOM 962 NE ARG A 64 3.857 -4.543 24.228 1.00 0.00 N ATOM 963 CZ ARG A 64 4.096 -3.339 23.710 1.00 0.00 C ATOM 964 NH1 ARG A 64 4.070 -3.111 22.412 1.00 0.00 N ATOM 965 NH2 ARG A 64 4.366 -2.329 24.508 1.00 0.00 N ATOM 0 H ARG A 64 -0.348 -7.596 22.601 1.00 0.00 H new ATOM 0 HA ARG A 64 0.678 -5.557 20.879 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.900 -7.922 22.337 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.847 -6.938 21.238 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.845 -4.899 22.617 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.503 -6.111 23.835 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.828 -6.650 24.118 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.283 -5.849 22.627 1.00 0.00 H new ATOM 0 HE ARG A 64 3.845 -4.609 25.246 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.861 -3.871 21.765 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.259 -2.174 22.055 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.392 -2.470 25.518 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.550 -1.405 24.117 1.00 0.00 H new ATOM 979 N LEU A 65 1.389 -6.613 18.714 1.00 0.00 N ATOM 980 CA LEU A 65 1.450 -7.041 17.308 1.00 0.00 C ATOM 981 C LEU A 65 2.008 -8.462 17.201 1.00 0.00 C ATOM 982 O LEU A 65 1.296 -9.353 16.746 1.00 0.00 O ATOM 983 CB LEU A 65 2.270 -6.016 16.489 1.00 0.00 C ATOM 984 CG LEU A 65 2.520 -6.421 15.015 1.00 0.00 C ATOM 985 CD1 LEU A 65 1.215 -6.531 14.211 1.00 0.00 C ATOM 986 CD2 LEU A 65 3.452 -5.410 14.336 1.00 0.00 C ATOM 0 H LEU A 65 1.885 -5.739 18.889 1.00 0.00 H new ATOM 0 HA LEU A 65 0.445 -7.070 16.888 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.750 -5.058 16.506 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.232 -5.865 16.979 1.00 0.00 H new ATOM 0 HG LEU A 65 2.987 -7.406 15.032 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.443 -6.817 13.184 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.571 -7.285 14.663 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.703 -5.568 14.214 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.619 -5.707 13.301 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.995 -4.421 14.360 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.405 -5.382 14.864 1.00 0.00 H new ATOM 998 N GLU A 66 3.233 -8.690 17.673 1.00 0.00 N ATOM 999 CA GLU A 66 3.898 -9.997 17.636 1.00 0.00 C ATOM 1000 C GLU A 66 3.216 -11.062 18.515 1.00 0.00 C ATOM 1001 O GLU A 66 3.410 -12.251 18.278 1.00 0.00 O ATOM 1002 CB GLU A 66 5.396 -9.862 17.980 1.00 0.00 C ATOM 1003 CG GLU A 66 5.725 -9.313 19.381 1.00 0.00 C ATOM 1004 CD GLU A 66 5.839 -7.783 19.397 1.00 0.00 C ATOM 1005 OE1 GLU A 66 4.788 -7.105 19.328 1.00 0.00 O ATOM 1006 OE2 GLU A 66 6.976 -7.256 19.475 1.00 0.00 O ATOM 0 H GLU A 66 3.803 -7.960 18.100 1.00 0.00 H new ATOM 0 HA GLU A 66 3.804 -10.356 16.611 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.861 -10.843 17.879 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.860 -9.211 17.239 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.950 -9.624 20.082 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.662 -9.748 19.728 1.00 0.00 H new ATOM 1013 N ASP A 67 2.371 -10.677 19.477 1.00 0.00 N ATOM 1014 CA ASP A 67 1.526 -11.631 20.207 1.00 0.00 C ATOM 1015 C ASP A 67 0.361 -12.125 19.322 1.00 0.00 C ATOM 1016 O ASP A 67 0.009 -13.303 19.376 1.00 0.00 O ATOM 1017 CB ASP A 67 1.043 -10.985 21.518 1.00 0.00 C ATOM 1018 CG ASP A 67 0.472 -11.984 22.542 1.00 0.00 C ATOM 1019 OD1 ASP A 67 0.928 -13.152 22.592 1.00 0.00 O ATOM 1020 OD2 ASP A 67 -0.377 -11.561 23.363 1.00 0.00 O ATOM 0 H ASP A 67 2.253 -9.707 19.770 1.00 0.00 H new ATOM 0 HA ASP A 67 2.108 -12.516 20.465 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.876 -10.450 21.975 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.278 -10.244 21.285 1.00 0.00 H new ATOM 1025 N VAL A 68 -0.174 -11.261 18.443 1.00 0.00 N ATOM 1026 CA VAL A 68 -1.128 -11.647 17.390 1.00 0.00 C ATOM 1027 C VAL A 68 -0.422 -12.405 16.247 1.00 0.00 C ATOM 1028 O VAL A 68 -0.839 -13.512 15.912 1.00 0.00 O ATOM 1029 CB VAL A 68 -1.929 -10.450 16.812 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -2.954 -10.917 15.764 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -2.693 -9.672 17.890 1.00 0.00 C ATOM 0 H VAL A 68 0.046 -10.265 18.444 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.846 -12.308 17.875 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.183 -9.797 16.358 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.499 -10.055 15.378 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.436 -11.415 14.945 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.655 -11.612 16.225 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.235 -8.847 17.428 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.400 -10.337 18.387 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.989 -9.279 18.623 1.00 0.00 H new ATOM 1041 N VAL A 69 0.630 -11.823 15.644 1.00 0.00 N ATOM 1042 CA VAL A 69 1.262 -12.319 14.413 1.00 0.00 C ATOM 1043 C VAL A 69 2.410 -13.331 14.609 1.00 0.00 C ATOM 1044 O VAL A 69 3.027 -13.743 13.626 1.00 0.00 O ATOM 1045 CB VAL A 69 1.729 -11.152 13.511 1.00 0.00 C ATOM 1046 CG1 VAL A 69 0.589 -10.173 13.193 1.00 0.00 C ATOM 1047 CG2 VAL A 69 2.964 -10.378 13.997 1.00 0.00 C ATOM 0 H VAL A 69 1.072 -10.978 16.008 1.00 0.00 H new ATOM 0 HA VAL A 69 0.468 -12.881 13.921 1.00 0.00 H new ATOM 0 HB VAL A 69 2.045 -11.661 12.600 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.965 -9.371 12.558 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.211 -10.702 12.675 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.203 -9.750 14.121 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.199 -9.585 13.287 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.758 -9.941 14.974 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.812 -11.058 14.075 1.00 0.00 H new ATOM 1057 N GLY A 70 2.711 -13.738 15.851 1.00 0.00 N ATOM 1058 CA GLY A 70 3.907 -14.522 16.216 1.00 0.00 C ATOM 1059 C GLY A 70 4.094 -15.875 15.516 1.00 0.00 C ATOM 1060 O GLY A 70 5.223 -16.365 15.445 1.00 0.00 O ATOM 0 H GLY A 70 2.116 -13.527 16.652 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.787 -13.911 16.014 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.882 -14.698 17.291 1.00 0.00 H new ATOM 1064 N GLY A 71 3.020 -16.461 14.974 1.00 0.00 N ATOM 1065 CA GLY A 71 3.043 -17.670 14.129 1.00 0.00 C ATOM 1066 C GLY A 71 2.231 -17.533 12.835 1.00 0.00 C ATOM 1067 O GLY A 71 1.772 -18.545 12.301 1.00 0.00 O ATOM 0 H GLY A 71 2.077 -16.098 15.114 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.077 -17.906 13.876 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.656 -18.511 14.703 1.00 0.00 H new ATOM 1071 N CYS A 72 2.027 -16.301 12.353 1.00 0.00 N ATOM 1072 CA CYS A 72 1.096 -15.965 11.262 1.00 0.00 C ATOM 1073 C CYS A 72 1.739 -15.190 10.096 1.00 0.00 C ATOM 1074 O CYS A 72 2.789 -14.557 10.242 1.00 0.00 O ATOM 1075 CB CYS A 72 -0.024 -15.090 11.857 1.00 0.00 C ATOM 1076 SG CYS A 72 -0.790 -15.897 13.297 1.00 0.00 S ATOM 0 H CYS A 72 2.518 -15.485 12.720 1.00 0.00 H new ATOM 0 HA CYS A 72 0.736 -16.907 10.849 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.384 -14.123 12.152 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -0.782 -14.898 11.098 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.851 -15.055 14.285 1.00 0.00 H new ATOM 1082 N CYS A 73 1.046 -15.201 8.953 1.00 0.00 N ATOM 1083 CA CYS A 73 1.331 -14.351 7.788 1.00 0.00 C ATOM 1084 C CYS A 73 0.408 -13.122 7.835 1.00 0.00 C ATOM 1085 O CYS A 73 -0.712 -13.207 8.339 1.00 0.00 O ATOM 1086 CB CYS A 73 1.132 -15.163 6.496 1.00 0.00 C ATOM 1087 SG CYS A 73 2.371 -16.490 6.401 1.00 0.00 S ATOM 0 H CYS A 73 0.248 -15.819 8.807 1.00 0.00 H new ATOM 0 HA CYS A 73 2.365 -14.008 7.806 1.00 0.00 H new ATOM 0 HB2 CYS A 73 0.129 -15.588 6.475 1.00 0.00 H new ATOM 0 HB3 CYS A 73 1.220 -14.509 5.628 1.00 0.00 H new ATOM 0 HG CYS A 73 2.194 -17.172 5.308 1.00 0.00 H new ATOM 1093 N TYR A 74 0.856 -11.981 7.311 1.00 0.00 N ATOM 1094 CA TYR A 74 0.116 -10.710 7.370 1.00 0.00 C ATOM 1095 C TYR A 74 0.662 -9.630 6.422 1.00 0.00 C ATOM 1096 O TYR A 74 1.830 -9.672 6.034 1.00 0.00 O ATOM 1097 CB TYR A 74 0.064 -10.177 8.816 1.00 0.00 C ATOM 1098 CG TYR A 74 1.391 -9.727 9.403 1.00 0.00 C ATOM 1099 CD1 TYR A 74 2.332 -10.670 9.860 1.00 0.00 C ATOM 1100 CD2 TYR A 74 1.677 -8.352 9.509 1.00 0.00 C ATOM 1101 CE1 TYR A 74 3.549 -10.244 10.418 1.00 0.00 C ATOM 1102 CE2 TYR A 74 2.881 -7.920 10.094 1.00 0.00 C ATOM 1103 CZ TYR A 74 3.826 -8.867 10.547 1.00 0.00 C ATOM 1104 OH TYR A 74 4.995 -8.456 11.105 1.00 0.00 O ATOM 0 H TYR A 74 1.751 -11.907 6.828 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.893 -10.936 7.026 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.630 -9.337 8.849 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.349 -10.957 9.456 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.117 -11.725 9.781 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.968 -7.626 9.139 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.274 -10.973 10.749 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.083 -6.864 10.197 1.00 0.00 H new ATOM 0 HH TYR A 74 5.026 -7.477 11.116 1.00 0.00 H new ATOM 1114 N ARG A 75 -0.180 -8.641 6.088 1.00 0.00 N ATOM 1115 CA ARG A 75 0.153 -7.470 5.256 1.00 0.00 C ATOM 1116 C ARG A 75 -0.650 -6.243 5.698 1.00 0.00 C ATOM 1117 O ARG A 75 -1.765 -6.373 6.194 1.00 0.00 O ATOM 1118 CB ARG A 75 -0.148 -7.754 3.765 1.00 0.00 C ATOM 1119 CG ARG A 75 0.782 -8.762 3.066 1.00 0.00 C ATOM 1120 CD ARG A 75 2.243 -8.294 2.999 1.00 0.00 C ATOM 1121 NE ARG A 75 3.092 -9.288 2.312 1.00 0.00 N ATOM 1122 CZ ARG A 75 3.335 -9.383 1.006 1.00 0.00 C ATOM 1123 NH1 ARG A 75 2.797 -8.565 0.123 1.00 0.00 N ATOM 1124 NH2 ARG A 75 4.136 -10.330 0.568 1.00 0.00 N ATOM 0 H ARG A 75 -1.151 -8.633 6.401 1.00 0.00 H new ATOM 0 HA ARG A 75 1.217 -7.271 5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.172 -8.120 3.685 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.103 -6.811 3.220 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.737 -9.715 3.594 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.418 -8.941 2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.298 -7.340 2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.620 -8.125 4.008 1.00 0.00 H new ATOM 0 HE ARG A 75 3.545 -9.982 2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.168 -7.824 0.431 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.010 -8.673 -0.869 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.563 -10.981 1.226 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.330 -10.413 -0.430 1.00 0.00 H new ATOM 1138 N VAL A 76 -0.104 -5.051 5.480 1.00 0.00 N ATOM 1139 CA VAL A 76 -0.810 -3.768 5.632 1.00 0.00 C ATOM 1140 C VAL A 76 -1.531 -3.505 4.315 1.00 0.00 C ATOM 1141 O VAL A 76 -0.908 -3.604 3.260 1.00 0.00 O ATOM 1142 CB VAL A 76 0.158 -2.603 5.930 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -0.579 -1.264 6.135 1.00 0.00 C ATOM 1144 CG2 VAL A 76 0.997 -2.904 7.176 1.00 0.00 C ATOM 0 H VAL A 76 0.866 -4.940 5.185 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.499 -3.829 6.474 1.00 0.00 H new ATOM 0 HB VAL A 76 0.804 -2.507 5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.147 -0.477 6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.138 -1.014 5.233 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.267 -1.353 6.975 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.673 -2.071 7.369 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.338 -3.043 8.033 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.578 -3.812 7.013 1.00 0.00 H new ATOM 1154 N ASN A 77 -2.824 -3.190 4.363 1.00 0.00 N ATOM 1155 CA ASN A 77 -3.645 -2.999 3.165 1.00 0.00 C ATOM 1156 C ASN A 77 -4.939 -2.245 3.502 1.00 0.00 C ATOM 1157 O ASN A 77 -5.612 -2.583 4.472 1.00 0.00 O ATOM 1158 CB ASN A 77 -3.959 -4.367 2.532 1.00 0.00 C ATOM 1159 CG ASN A 77 -4.730 -4.208 1.228 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -4.463 -3.313 0.441 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -5.715 -5.042 0.966 1.00 0.00 N ATOM 0 H ASN A 77 -3.335 -3.059 5.236 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.088 -2.395 2.448 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.030 -4.906 2.345 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.541 -4.969 3.230 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.254 -4.940 0.106 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.939 -5.790 1.623 1.00 0.00 H new ATOM 1168 N ASN A 78 -5.294 -1.233 2.705 1.00 0.00 N ATOM 1169 CA ASN A 78 -6.378 -0.302 3.039 1.00 0.00 C ATOM 1170 C ASN A 78 -7.025 0.331 1.787 1.00 0.00 C ATOM 1171 O ASN A 78 -7.184 1.544 1.680 1.00 0.00 O ATOM 1172 CB ASN A 78 -5.829 0.713 4.069 1.00 0.00 C ATOM 1173 CG ASN A 78 -6.897 1.378 4.923 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -8.096 1.188 4.744 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -6.484 2.149 5.909 1.00 0.00 N ATOM 0 H ASN A 78 -4.840 -1.036 1.813 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.211 -0.835 3.498 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -5.123 0.202 4.724 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -5.271 1.485 3.539 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.162 2.592 6.529 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.486 2.303 6.052 1.00 0.00 H new ATOM 1182 N SER A 79 -7.400 -0.495 0.805 1.00 0.00 N ATOM 1183 CA SER A 79 -7.852 -0.032 -0.522 1.00 0.00 C ATOM 1184 C SER A 79 -9.045 0.940 -0.512 1.00 0.00 C ATOM 1185 O SER A 79 -9.117 1.801 -1.387 1.00 0.00 O ATOM 1186 CB SER A 79 -8.197 -1.237 -1.406 1.00 0.00 C ATOM 1187 OG SER A 79 -7.042 -2.026 -1.658 1.00 0.00 O ATOM 0 H SER A 79 -7.400 -1.510 0.904 1.00 0.00 H new ATOM 0 HA SER A 79 -7.011 0.535 -0.921 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.959 -1.845 -0.918 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.620 -0.892 -2.349 1.00 0.00 H new ATOM 0 HG SER A 79 -7.284 -2.790 -2.222 1.00 0.00 H new ATOM 1193 N LEU A 80 -9.955 0.856 0.471 1.00 0.00 N ATOM 1194 CA LEU A 80 -11.106 1.767 0.563 1.00 0.00 C ATOM 1195 C LEU A 80 -10.688 3.185 0.984 1.00 0.00 C ATOM 1196 O LEU A 80 -11.179 4.159 0.432 1.00 0.00 O ATOM 1197 CB LEU A 80 -12.160 1.167 1.516 1.00 0.00 C ATOM 1198 CG LEU A 80 -13.529 1.869 1.445 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -14.184 1.746 0.059 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -14.478 1.278 2.498 1.00 0.00 C ATOM 0 H LEU A 80 -9.915 0.162 1.217 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.549 1.870 -0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.290 0.111 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.786 1.222 2.538 1.00 0.00 H new ATOM 0 HG LEU A 80 -13.351 2.927 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -15.146 2.258 0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -13.536 2.199 -0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -14.335 0.693 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.444 1.780 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.612 0.213 2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.053 1.421 3.492 1.00 0.00 H new ATOM 1212 N ASP A 81 -9.737 3.311 1.912 1.00 0.00 N ATOM 1213 CA ASP A 81 -9.085 4.583 2.260 1.00 0.00 C ATOM 1214 C ASP A 81 -8.373 5.178 1.038 1.00 0.00 C ATOM 1215 O ASP A 81 -8.492 6.377 0.774 1.00 0.00 O ATOM 1216 CB ASP A 81 -8.112 4.306 3.421 1.00 0.00 C ATOM 1217 CG ASP A 81 -6.935 5.282 3.549 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -5.942 5.140 2.796 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -6.977 6.130 4.465 1.00 0.00 O ATOM 0 H ASP A 81 -9.390 2.520 2.454 1.00 0.00 H new ATOM 0 HA ASP A 81 -9.821 5.323 2.575 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.675 4.320 4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.714 3.298 3.304 1.00 0.00 H new ATOM 1224 N HIS A 82 -7.701 4.324 0.262 1.00 0.00 N ATOM 1225 CA HIS A 82 -6.977 4.710 -0.950 1.00 0.00 C ATOM 1226 C HIS A 82 -7.899 5.221 -2.087 1.00 0.00 C ATOM 1227 O HIS A 82 -7.400 5.809 -3.052 1.00 0.00 O ATOM 1228 CB HIS A 82 -6.113 3.527 -1.431 1.00 0.00 C ATOM 1229 CG HIS A 82 -5.097 2.970 -0.454 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -4.815 3.395 0.827 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -4.263 1.914 -0.708 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -3.848 2.606 1.326 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -3.474 1.680 0.425 1.00 0.00 N ATOM 0 H HIS A 82 -7.644 3.326 0.463 1.00 0.00 H new ATOM 0 HA HIS A 82 -6.340 5.555 -0.688 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.781 2.717 -1.722 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -5.581 3.840 -2.330 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -5.262 4.173 1.312 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.221 1.354 -1.630 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.428 2.702 2.316 1.00 0.00 H new ATOM 1241 N GLU A 83 -9.225 5.048 -1.982 1.00 0.00 N ATOM 1242 CA GLU A 83 -10.194 5.651 -2.909 1.00 0.00 C ATOM 1243 C GLU A 83 -10.356 7.167 -2.708 1.00 0.00 C ATOM 1244 O GLU A 83 -10.780 7.847 -3.646 1.00 0.00 O ATOM 1245 CB GLU A 83 -11.584 4.993 -2.792 1.00 0.00 C ATOM 1246 CG GLU A 83 -11.650 3.545 -3.286 1.00 0.00 C ATOM 1247 CD GLU A 83 -11.477 3.453 -4.810 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -12.459 3.711 -5.546 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -10.371 3.107 -5.290 1.00 0.00 O ATOM 0 H GLU A 83 -9.657 4.484 -1.250 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.782 5.474 -3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.898 5.021 -1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.301 5.588 -3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.873 2.958 -2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.607 3.107 -3.002 1.00 0.00 H new ATOM 1256 N TYR A 84 -10.031 7.717 -1.524 1.00 0.00 N ATOM 1257 CA TYR A 84 -10.366 9.120 -1.212 1.00 0.00 C ATOM 1258 C TYR A 84 -9.572 9.869 -0.123 1.00 0.00 C ATOM 1259 O TYR A 84 -9.306 11.058 -0.315 1.00 0.00 O ATOM 1260 CB TYR A 84 -11.883 9.263 -0.932 1.00 0.00 C ATOM 1261 CG TYR A 84 -12.656 8.046 -0.432 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -12.401 7.493 0.842 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -13.692 7.512 -1.225 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -13.181 6.419 1.322 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -14.481 6.448 -0.750 1.00 0.00 C ATOM 1266 CZ TYR A 84 -14.239 5.911 0.533 1.00 0.00 C ATOM 1267 OH TYR A 84 -15.042 4.925 1.016 1.00 0.00 O ATOM 0 H TYR A 84 -9.544 7.221 -0.777 1.00 0.00 H new ATOM 0 HA TYR A 84 -10.046 9.623 -2.124 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -12.010 10.059 -0.198 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -12.358 9.600 -1.853 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -11.605 7.894 1.452 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -13.882 7.923 -2.206 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -12.970 5.986 2.289 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -15.270 6.043 -1.366 1.00 0.00 H new ATOM 0 HH TYR A 84 -15.170 5.050 1.980 1.00 0.00 H new ATOM 1277 N GLN A 85 -9.268 9.277 1.039 1.00 0.00 N ATOM 1278 CA GLN A 85 -9.022 10.076 2.256 1.00 0.00 C ATOM 1279 C GLN A 85 -7.518 10.273 2.590 1.00 0.00 C ATOM 1280 O GLN A 85 -6.719 9.361 2.344 1.00 0.00 O ATOM 1281 CB GLN A 85 -9.812 9.498 3.453 1.00 0.00 C ATOM 1282 CG GLN A 85 -9.296 8.154 3.989 1.00 0.00 C ATOM 1283 CD GLN A 85 -10.020 7.683 5.252 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -9.598 7.936 6.369 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -11.147 7.007 5.159 1.00 0.00 N ATOM 0 H GLN A 85 -9.186 8.268 1.167 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.392 11.079 2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.795 10.225 4.265 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -10.854 9.377 3.156 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.405 7.396 3.213 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.231 8.241 4.202 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.530 6.777 4.242 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.637 6.713 6.004 1.00 0.00 H new ATOM 1294 N PRO A 86 -7.127 11.422 3.191 1.00 0.00 N ATOM 1295 CA PRO A 86 -5.787 11.636 3.747 1.00 0.00 C ATOM 1296 C PRO A 86 -5.615 11.008 5.143 1.00 0.00 C ATOM 1297 O PRO A 86 -4.496 10.644 5.507 1.00 0.00 O ATOM 1298 CB PRO A 86 -5.624 13.156 3.826 1.00 0.00 C ATOM 1299 CG PRO A 86 -7.051 13.654 4.059 1.00 0.00 C ATOM 1300 CD PRO A 86 -7.901 12.659 3.272 1.00 0.00 C ATOM 0 HA PRO A 86 -5.033 11.160 3.120 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.959 13.447 4.639 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.201 13.563 2.907 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.309 13.655 5.118 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.186 14.673 3.697 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.856 12.487 3.769 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.124 13.042 2.276 1.00 0.00 H new ATOM 1308 N ARG A 87 -6.720 10.888 5.905 1.00 0.00 N ATOM 1309 CA ARG A 87 -6.875 10.199 7.190 1.00 0.00 C ATOM 1310 C ARG A 87 -6.247 10.932 8.409 1.00 0.00 C ATOM 1311 O ARG A 87 -5.018 11.039 8.494 1.00 0.00 O ATOM 1312 CB ARG A 87 -6.400 8.746 7.050 1.00 0.00 C ATOM 1313 CG ARG A 87 -6.948 7.891 8.195 1.00 0.00 C ATOM 1314 CD ARG A 87 -6.952 6.391 7.882 1.00 0.00 C ATOM 1315 NE ARG A 87 -5.628 5.789 8.133 1.00 0.00 N ATOM 1316 CZ ARG A 87 -4.600 5.699 7.295 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -4.692 5.985 6.017 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -3.434 5.310 7.764 1.00 0.00 N ATOM 0 H ARG A 87 -7.600 11.309 5.606 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.939 10.206 7.428 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.731 8.340 6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.311 8.711 7.051 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.350 8.067 9.089 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.965 8.210 8.423 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.703 5.891 8.494 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.234 6.235 6.841 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.484 5.394 9.062 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.583 6.292 5.626 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.873 5.900 5.415 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.332 5.084 8.753 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.632 5.234 7.138 1.00 0.00 H new ATOM 1332 N PRO A 88 -7.059 11.390 9.393 1.00 0.00 N ATOM 1333 CA PRO A 88 -6.581 12.026 10.624 1.00 0.00 C ATOM 1334 C PRO A 88 -6.100 10.947 11.610 1.00 0.00 C ATOM 1335 O PRO A 88 -6.879 10.406 12.392 1.00 0.00 O ATOM 1336 CB PRO A 88 -7.777 12.844 11.127 1.00 0.00 C ATOM 1337 CG PRO A 88 -8.989 12.031 10.673 1.00 0.00 C ATOM 1338 CD PRO A 88 -8.519 11.428 9.352 1.00 0.00 C ATOM 0 HA PRO A 88 -5.720 12.679 10.484 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.756 12.960 12.211 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.785 13.847 10.700 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.253 11.261 11.397 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.870 12.659 10.540 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.927 10.426 9.219 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.865 12.027 8.510 1.00 0.00 H new ATOM 1346 N VAL A 89 -4.806 10.615 11.543 1.00 0.00 N ATOM 1347 CA VAL A 89 -4.177 9.465 12.232 1.00 0.00 C ATOM 1348 C VAL A 89 -4.508 9.385 13.730 1.00 0.00 C ATOM 1349 O VAL A 89 -4.894 8.321 14.207 1.00 0.00 O ATOM 1350 CB VAL A 89 -2.645 9.479 11.993 1.00 0.00 C ATOM 1351 CG1 VAL A 89 -1.837 8.619 12.980 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -2.346 9.023 10.553 1.00 0.00 C ATOM 0 H VAL A 89 -4.138 11.153 10.991 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.605 8.563 11.795 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.325 10.508 12.159 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.776 8.688 12.739 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.002 8.979 13.996 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.159 7.580 12.906 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.269 9.033 10.384 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.727 8.013 10.405 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.829 9.700 9.849 1.00 0.00 H new ATOM 1362 N GLU A 90 -4.412 10.493 14.467 1.00 0.00 N ATOM 1363 CA GLU A 90 -4.713 10.519 15.906 1.00 0.00 C ATOM 1364 C GLU A 90 -6.205 10.278 16.189 1.00 0.00 C ATOM 1365 O GLU A 90 -6.538 9.538 17.114 1.00 0.00 O ATOM 1366 CB GLU A 90 -4.167 11.796 16.577 1.00 0.00 C ATOM 1367 CG GLU A 90 -4.964 13.092 16.376 1.00 0.00 C ATOM 1368 CD GLU A 90 -5.031 13.528 14.907 1.00 0.00 C ATOM 1369 OE1 GLU A 90 -5.922 13.026 14.185 1.00 0.00 O ATOM 1370 OE2 GLU A 90 -4.179 14.340 14.475 1.00 0.00 O ATOM 0 H GLU A 90 -4.125 11.396 14.089 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.186 9.683 16.366 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.092 11.609 17.648 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.154 11.963 16.211 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.976 12.953 16.755 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.509 13.888 16.966 1.00 0.00 H new ATOM 1377 N VAL A 91 -7.107 10.815 15.367 1.00 0.00 N ATOM 1378 CA VAL A 91 -8.557 10.546 15.450 1.00 0.00 C ATOM 1379 C VAL A 91 -8.891 9.087 15.105 1.00 0.00 C ATOM 1380 O VAL A 91 -9.771 8.517 15.747 1.00 0.00 O ATOM 1381 CB VAL A 91 -9.365 11.542 14.583 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -10.836 11.140 14.364 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -9.346 12.942 15.223 1.00 0.00 C ATOM 0 H VAL A 91 -6.857 11.457 14.615 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.856 10.699 16.487 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.874 11.536 13.610 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.330 11.890 13.747 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.878 10.173 13.863 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.342 11.072 15.327 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.918 13.633 14.604 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.790 12.894 16.217 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.317 13.292 15.302 1.00 0.00 H new ATOM 1393 N ILE A 92 -8.184 8.444 14.165 1.00 0.00 N ATOM 1394 CA ILE A 92 -8.339 6.989 13.906 1.00 0.00 C ATOM 1395 C ILE A 92 -7.917 6.173 15.130 1.00 0.00 C ATOM 1396 O ILE A 92 -8.674 5.327 15.600 1.00 0.00 O ATOM 1397 CB ILE A 92 -7.543 6.550 12.652 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -7.929 7.322 11.375 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -7.691 5.037 12.398 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -9.419 7.597 11.114 1.00 0.00 C ATOM 0 H ILE A 92 -7.496 8.901 13.566 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.394 6.797 13.712 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.503 6.789 12.874 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.412 8.282 11.397 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.538 6.769 10.521 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.121 4.759 11.511 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.314 4.485 13.259 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.743 4.795 12.244 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.529 8.148 10.180 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.957 6.651 11.044 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.829 8.187 11.933 1.00 0.00 H new ATOM 1412 N ILE A 93 -6.741 6.468 15.688 1.00 0.00 N ATOM 1413 CA ILE A 93 -6.218 5.795 16.892 1.00 0.00 C ATOM 1414 C ILE A 93 -7.150 6.025 18.090 1.00 0.00 C ATOM 1415 O ILE A 93 -7.409 5.105 18.858 1.00 0.00 O ATOM 1416 CB ILE A 93 -4.761 6.261 17.154 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -3.825 5.738 16.034 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -4.256 5.789 18.530 1.00 0.00 C ATOM 1419 CD1 ILE A 93 -2.421 6.357 16.049 1.00 0.00 C ATOM 0 H ILE A 93 -6.116 7.185 15.319 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.191 4.717 16.734 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.753 7.351 17.151 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.734 4.656 16.128 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.287 5.937 15.067 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.233 6.133 18.680 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.895 6.199 19.312 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.283 4.700 18.573 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.830 5.938 15.235 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.498 7.437 15.923 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -1.936 6.136 17.000 1.00 0.00 H new ATOM 1431 N SER A 94 -7.702 7.226 18.224 1.00 0.00 N ATOM 1432 CA SER A 94 -8.645 7.561 19.294 1.00 0.00 C ATOM 1433 C SER A 94 -9.972 6.811 19.116 1.00 0.00 C ATOM 1434 O SER A 94 -10.526 6.284 20.076 1.00 0.00 O ATOM 1435 CB SER A 94 -8.907 9.076 19.337 1.00 0.00 C ATOM 1436 OG SER A 94 -7.703 9.815 19.495 1.00 0.00 O ATOM 0 H SER A 94 -7.509 8.002 17.591 1.00 0.00 H new ATOM 0 HA SER A 94 -8.194 7.253 20.237 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.405 9.385 18.418 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.585 9.305 20.160 1.00 0.00 H new ATOM 0 HG SER A 94 -7.263 9.914 18.625 1.00 0.00 H new ATOM 1442 N SER A 95 -10.455 6.701 17.877 1.00 0.00 N ATOM 1443 CA SER A 95 -11.660 5.942 17.529 1.00 0.00 C ATOM 1444 C SER A 95 -11.499 4.453 17.864 1.00 0.00 C ATOM 1445 O SER A 95 -12.376 3.868 18.500 1.00 0.00 O ATOM 1446 CB SER A 95 -11.983 6.120 16.039 1.00 0.00 C ATOM 1447 OG SER A 95 -12.360 7.459 15.744 1.00 0.00 O ATOM 0 H SER A 95 -10.012 7.145 17.072 1.00 0.00 H new ATOM 0 HA SER A 95 -12.487 6.330 18.123 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.113 5.846 15.442 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.790 5.443 15.757 1.00 0.00 H new ATOM 0 HG SER A 95 -11.559 8.022 15.700 1.00 0.00 H new ATOM 1453 N ALA A 96 -10.350 3.856 17.524 1.00 0.00 N ATOM 1454 CA ALA A 96 -10.003 2.480 17.879 1.00 0.00 C ATOM 1455 C ALA A 96 -9.996 2.273 19.408 1.00 0.00 C ATOM 1456 O ALA A 96 -10.678 1.389 19.936 1.00 0.00 O ATOM 1457 CB ALA A 96 -8.651 2.168 17.224 1.00 0.00 C ATOM 0 H ALA A 96 -9.624 4.327 16.984 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.753 1.782 17.507 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.356 1.147 17.466 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.738 2.274 16.143 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.897 2.861 17.597 1.00 0.00 H new ATOM 1463 N LYS A 97 -9.299 3.151 20.141 1.00 0.00 N ATOM 1464 CA LYS A 97 -9.250 3.144 21.611 1.00 0.00 C ATOM 1465 C LYS A 97 -10.606 3.465 22.282 1.00 0.00 C ATOM 1466 O LYS A 97 -10.792 3.119 23.448 1.00 0.00 O ATOM 1467 CB LYS A 97 -8.162 4.124 22.077 1.00 0.00 C ATOM 1468 CG LYS A 97 -6.729 3.655 21.765 1.00 0.00 C ATOM 1469 CD LYS A 97 -5.725 4.740 22.190 1.00 0.00 C ATOM 1470 CE LYS A 97 -4.281 4.293 21.918 1.00 0.00 C ATOM 1471 NZ LYS A 97 -3.295 5.317 22.365 1.00 0.00 N ATOM 0 H LYS A 97 -8.744 3.898 19.724 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.009 2.128 21.924 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.329 5.091 21.602 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.259 4.276 23.152 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.518 2.724 22.291 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -6.627 3.449 20.700 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.931 5.663 21.649 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.848 4.958 23.251 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.088 3.352 22.433 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.153 4.105 20.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.331 4.981 22.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.464 6.207 21.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.401 5.478 23.387 1.00 0.00 H new ATOM 1485 N GLU A 98 -11.569 4.071 21.574 1.00 0.00 N ATOM 1486 CA GLU A 98 -12.953 4.228 22.035 1.00 0.00 C ATOM 1487 C GLU A 98 -13.800 2.966 21.789 1.00 0.00 C ATOM 1488 O GLU A 98 -14.528 2.537 22.687 1.00 0.00 O ATOM 1489 CB GLU A 98 -13.618 5.460 21.398 1.00 0.00 C ATOM 1490 CG GLU A 98 -13.200 6.760 22.092 1.00 0.00 C ATOM 1491 CD GLU A 98 -13.939 7.965 21.490 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -15.057 8.289 21.961 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -13.411 8.609 20.552 1.00 0.00 O ATOM 0 H GLU A 98 -11.404 4.472 20.651 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.905 4.381 23.113 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.352 5.511 20.342 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -14.702 5.354 21.449 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.414 6.693 23.159 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -12.124 6.901 21.991 1.00 0.00 H new ATOM 1500 N MET A 99 -13.702 2.346 20.605 1.00 0.00 N ATOM 1501 CA MET A 99 -14.484 1.144 20.253 1.00 0.00 C ATOM 1502 C MET A 99 -13.963 -0.158 20.869 1.00 0.00 C ATOM 1503 O MET A 99 -14.701 -1.139 20.924 1.00 0.00 O ATOM 1504 CB MET A 99 -14.657 1.029 18.738 1.00 0.00 C ATOM 1505 CG MET A 99 -13.384 0.700 17.959 1.00 0.00 C ATOM 1506 SD MET A 99 -13.626 0.682 16.162 1.00 0.00 S ATOM 1507 CE MET A 99 -14.523 -0.880 16.001 1.00 0.00 C ATOM 0 H MET A 99 -13.079 2.661 19.861 1.00 0.00 H new ATOM 0 HA MET A 99 -15.465 1.288 20.707 1.00 0.00 H new ATOM 0 HB2 MET A 99 -15.399 0.258 18.531 1.00 0.00 H new ATOM 0 HB3 MET A 99 -15.060 1.969 18.362 1.00 0.00 H new ATOM 0 HG2 MET A 99 -12.615 1.432 18.208 1.00 0.00 H new ATOM 0 HG3 MET A 99 -13.013 -0.274 18.278 1.00 0.00 H new ATOM 0 HE1 MET A 99 -14.680 -1.102 14.946 1.00 0.00 H new ATOM 0 HE2 MET A 99 -13.943 -1.682 16.458 1.00 0.00 H new ATOM 0 HE3 MET A 99 -15.487 -0.799 16.502 1.00 0.00 H new ATOM 1517 N VAL A 100 -12.719 -0.189 21.344 1.00 0.00 N ATOM 1518 CA VAL A 100 -12.175 -1.307 22.135 1.00 0.00 C ATOM 1519 C VAL A 100 -13.181 -1.827 23.178 1.00 0.00 C ATOM 1520 O VAL A 100 -13.742 -1.068 23.970 1.00 0.00 O ATOM 1521 CB VAL A 100 -10.812 -0.974 22.781 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -10.896 -0.078 24.025 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -10.053 -2.262 23.126 1.00 0.00 C ATOM 0 H VAL A 100 -12.049 0.565 21.193 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.997 -2.115 21.425 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.272 -0.399 22.029 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -9.893 0.103 24.411 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -11.360 0.872 23.759 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.495 -0.572 24.790 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -9.095 -2.009 23.580 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.642 -2.855 23.826 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.883 -2.839 22.217 1.00 0.00 H new ATOM 1533 N GLY A 101 -13.437 -3.134 23.125 1.00 0.00 N ATOM 1534 CA GLY A 101 -14.395 -3.828 23.990 1.00 0.00 C ATOM 1535 C GLY A 101 -15.841 -3.840 23.477 1.00 0.00 C ATOM 1536 O GLY A 101 -16.673 -4.481 24.122 1.00 0.00 O ATOM 0 H GLY A 101 -12.973 -3.756 22.463 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -14.063 -4.858 24.121 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -14.378 -3.360 24.974 1.00 0.00 H new ATOM 1540 N GLN A 102 -16.171 -3.174 22.358 1.00 0.00 N ATOM 1541 CA GLN A 102 -17.517 -3.238 21.786 1.00 0.00 C ATOM 1542 C GLN A 102 -17.788 -4.607 21.145 1.00 0.00 C ATOM 1543 O GLN A 102 -16.875 -5.362 20.798 1.00 0.00 O ATOM 1544 CB GLN A 102 -17.825 -2.057 20.833 1.00 0.00 C ATOM 1545 CG GLN A 102 -17.325 -2.171 19.375 1.00 0.00 C ATOM 1546 CD GLN A 102 -17.950 -1.124 18.447 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -18.214 0.015 18.816 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -18.205 -1.466 17.199 1.00 0.00 N ATOM 0 H GLN A 102 -15.521 -2.587 21.835 1.00 0.00 H new ATOM 0 HA GLN A 102 -18.218 -3.128 22.613 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -18.906 -1.917 20.809 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -17.396 -1.154 21.267 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.241 -2.063 19.359 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -17.552 -3.167 18.995 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.992 -2.409 16.875 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -18.615 -0.787 16.558 1.00 0.00 H new ATOM 1557 N LYS A 103 -19.076 -4.895 20.972 1.00 0.00 N ATOM 1558 CA LYS A 103 -19.607 -6.148 20.419 1.00 0.00 C ATOM 1559 C LYS A 103 -20.571 -5.903 19.242 1.00 0.00 C ATOM 1560 O LYS A 103 -21.234 -4.865 19.185 1.00 0.00 O ATOM 1561 CB LYS A 103 -20.310 -6.938 21.540 1.00 0.00 C ATOM 1562 CG LYS A 103 -19.347 -7.385 22.651 1.00 0.00 C ATOM 1563 CD LYS A 103 -20.090 -8.190 23.725 1.00 0.00 C ATOM 1564 CE LYS A 103 -19.112 -8.613 24.827 1.00 0.00 C ATOM 1565 NZ LYS A 103 -19.787 -9.371 25.914 1.00 0.00 N ATOM 0 H LYS A 103 -19.813 -4.236 21.223 1.00 0.00 H new ATOM 0 HA LYS A 103 -18.772 -6.727 20.025 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -21.096 -6.321 21.974 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -20.794 -7.815 21.111 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -18.548 -7.991 22.224 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -18.877 -6.512 23.104 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -20.894 -7.590 24.151 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -20.551 -9.071 23.278 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -18.322 -9.227 24.394 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -18.634 -7.728 25.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -19.089 -9.637 26.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -20.524 -8.777 26.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -20.222 -10.230 25.520 1.00 0.00 H new ATOM 1579 N MET A 104 -20.656 -6.860 18.306 1.00 0.00 N ATOM 1580 CA MET A 104 -21.481 -6.759 17.078 1.00 0.00 C ATOM 1581 C MET A 104 -22.099 -8.096 16.663 1.00 0.00 C ATOM 1582 O MET A 104 -21.436 -9.127 16.737 1.00 0.00 O ATOM 1583 CB MET A 104 -20.629 -6.236 15.905 1.00 0.00 C ATOM 1584 CG MET A 104 -20.096 -4.816 16.140 1.00 0.00 C ATOM 1585 SD MET A 104 -19.468 -3.993 14.655 1.00 0.00 S ATOM 1586 CE MET A 104 -18.099 -5.097 14.240 1.00 0.00 C ATOM 0 H MET A 104 -20.148 -7.742 18.376 1.00 0.00 H new ATOM 0 HA MET A 104 -22.290 -6.068 17.312 1.00 0.00 H new ATOM 0 HB2 MET A 104 -19.789 -6.912 15.743 1.00 0.00 H new ATOM 0 HB3 MET A 104 -21.228 -6.248 14.994 1.00 0.00 H new ATOM 0 HG2 MET A 104 -20.894 -4.208 16.567 1.00 0.00 H new ATOM 0 HG3 MET A 104 -19.298 -4.859 16.881 1.00 0.00 H new ATOM 0 HE1 MET A 104 -17.599 -4.734 13.342 1.00 0.00 H new ATOM 0 HE2 MET A 104 -17.389 -5.122 15.066 1.00 0.00 H new ATOM 0 HE3 MET A 104 -18.483 -6.101 14.061 1.00 0.00 H new ATOM 1596 N LYS A 105 -23.325 -8.087 16.136 1.00 0.00 N ATOM 1597 CA LYS A 105 -23.998 -9.266 15.555 1.00 0.00 C ATOM 1598 C LYS A 105 -24.898 -8.865 14.355 1.00 0.00 C ATOM 1599 O LYS A 105 -24.593 -7.887 13.670 1.00 0.00 O ATOM 1600 CB LYS A 105 -24.733 -10.029 16.687 1.00 0.00 C ATOM 1601 CG LYS A 105 -24.705 -11.553 16.456 1.00 0.00 C ATOM 1602 CD LYS A 105 -25.679 -12.351 17.334 1.00 0.00 C ATOM 1603 CE LYS A 105 -25.722 -11.930 18.812 1.00 0.00 C ATOM 1604 NZ LYS A 105 -26.788 -12.651 19.564 1.00 0.00 N ATOM 0 H LYS A 105 -23.897 -7.243 16.097 1.00 0.00 H new ATOM 0 HA LYS A 105 -23.269 -9.954 15.127 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -24.267 -9.797 17.645 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -25.767 -9.688 16.745 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -24.933 -11.753 15.409 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -23.693 -11.916 16.636 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -26.681 -12.256 16.916 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -25.410 -13.406 17.281 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -24.755 -12.127 19.274 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -25.894 -10.856 18.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -26.784 -12.339 20.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -27.714 -12.443 19.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -26.610 -13.675 19.522 1.00 0.00 H new ATOM 1618 N TYR A 106 -25.980 -9.609 14.083 1.00 0.00 N ATOM 1619 CA TYR A 106 -27.045 -9.368 13.080 1.00 0.00 C ATOM 1620 C TYR A 106 -26.592 -9.568 11.618 1.00 0.00 C ATOM 1621 O TYR A 106 -27.177 -10.373 10.892 1.00 0.00 O ATOM 1622 CB TYR A 106 -27.696 -7.988 13.289 1.00 0.00 C ATOM 1623 CG TYR A 106 -28.897 -7.738 12.394 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -30.160 -8.250 12.748 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -28.750 -7.002 11.199 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -31.276 -8.028 11.917 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -29.861 -6.779 10.363 1.00 0.00 C ATOM 1628 CZ TYR A 106 -31.130 -7.288 10.720 1.00 0.00 C ATOM 1629 OH TYR A 106 -32.202 -7.067 9.911 1.00 0.00 O ATOM 0 H TYR A 106 -26.154 -10.471 14.600 1.00 0.00 H new ATOM 0 HA TYR A 106 -27.797 -10.138 13.252 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -28.005 -7.896 14.330 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -26.951 -7.213 13.107 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -30.274 -8.816 13.661 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -27.782 -6.609 10.925 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -32.243 -8.423 12.194 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -29.743 -6.218 9.448 1.00 0.00 H new ATOM 0 HH TYR A 106 -31.922 -6.541 9.133 1.00 0.00 H new ATOM 1639 N SER A 107 -25.556 -8.854 11.184 1.00 0.00 N ATOM 1640 CA SER A 107 -24.973 -8.954 9.837 1.00 0.00 C ATOM 1641 C SER A 107 -24.169 -10.257 9.628 1.00 0.00 C ATOM 1642 O SER A 107 -23.762 -10.919 10.589 1.00 0.00 O ATOM 1643 CB SER A 107 -24.070 -7.734 9.571 1.00 0.00 C ATOM 1644 OG SER A 107 -24.800 -6.523 9.710 1.00 0.00 O ATOM 0 H SER A 107 -25.081 -8.169 11.772 1.00 0.00 H new ATOM 0 HA SER A 107 -25.801 -8.973 9.128 1.00 0.00 H new ATOM 0 HB2 SER A 107 -23.231 -7.739 10.266 1.00 0.00 H new ATOM 0 HB3 SER A 107 -23.652 -7.798 8.566 1.00 0.00 H new ATOM 0 HG SER A 107 -24.207 -5.762 9.538 1.00 0.00 H new ATOM 1650 N ILE A 108 -23.903 -10.615 8.361 1.00 0.00 N ATOM 1651 CA ILE A 108 -23.042 -11.762 7.997 1.00 0.00 C ATOM 1652 C ILE A 108 -21.592 -11.554 8.473 1.00 0.00 C ATOM 1653 O ILE A 108 -21.121 -10.421 8.539 1.00 0.00 O ATOM 1654 CB ILE A 108 -23.131 -12.078 6.479 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -22.661 -10.901 5.590 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -24.565 -12.528 6.130 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -22.640 -11.215 4.087 1.00 0.00 C ATOM 0 H ILE A 108 -24.279 -10.117 7.554 1.00 0.00 H new ATOM 0 HA ILE A 108 -23.418 -12.640 8.522 1.00 0.00 H new ATOM 0 HB ILE A 108 -22.441 -12.894 6.264 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -23.316 -10.047 5.762 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -21.660 -10.603 5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -24.628 -12.750 5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -24.815 -13.421 6.702 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -25.267 -11.731 6.377 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -22.299 -10.338 3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -21.962 -12.048 3.899 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -23.644 -11.483 3.757 1.00 0.00 H new ATOM 1669 N VAL A 109 -20.866 -12.636 8.784 1.00 0.00 N ATOM 1670 CA VAL A 109 -19.546 -12.555 9.463 1.00 0.00 C ATOM 1671 C VAL A 109 -18.469 -11.812 8.655 1.00 0.00 C ATOM 1672 O VAL A 109 -17.607 -11.154 9.234 1.00 0.00 O ATOM 1673 CB VAL A 109 -19.018 -13.934 9.931 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -20.028 -14.637 10.855 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -18.651 -14.881 8.774 1.00 0.00 C ATOM 0 H VAL A 109 -21.165 -13.589 8.578 1.00 0.00 H new ATOM 0 HA VAL A 109 -19.746 -11.953 10.350 1.00 0.00 H new ATOM 0 HB VAL A 109 -18.101 -13.714 10.478 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -19.627 -15.602 11.165 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -20.208 -14.019 11.735 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -20.966 -14.789 10.320 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -18.289 -15.826 9.178 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -19.532 -15.063 8.159 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -17.871 -14.425 8.164 1.00 0.00 H new ATOM 1685 N SER A 110 -18.542 -11.846 7.321 1.00 0.00 N ATOM 1686 CA SER A 110 -17.668 -11.056 6.443 1.00 0.00 C ATOM 1687 C SER A 110 -17.968 -9.555 6.564 1.00 0.00 C ATOM 1688 O SER A 110 -17.055 -8.748 6.757 1.00 0.00 O ATOM 1689 CB SER A 110 -17.836 -11.540 4.994 1.00 0.00 C ATOM 1690 OG SER A 110 -19.210 -11.597 4.622 1.00 0.00 O ATOM 0 H SER A 110 -19.212 -12.425 6.815 1.00 0.00 H new ATOM 0 HA SER A 110 -16.632 -11.200 6.750 1.00 0.00 H new ATOM 0 HB2 SER A 110 -17.302 -10.869 4.320 1.00 0.00 H new ATOM 0 HB3 SER A 110 -17.386 -12.527 4.884 1.00 0.00 H new ATOM 0 HG SER A 110 -19.285 -11.906 3.695 1.00 0.00 H new ATOM 1696 N ARG A 111 -19.252 -9.169 6.556 1.00 0.00 N ATOM 1697 CA ARG A 111 -19.641 -7.771 6.761 1.00 0.00 C ATOM 1698 C ARG A 111 -19.401 -7.309 8.199 1.00 0.00 C ATOM 1699 O ARG A 111 -19.038 -6.160 8.398 1.00 0.00 O ATOM 1700 CB ARG A 111 -21.088 -7.516 6.306 1.00 0.00 C ATOM 1701 CG ARG A 111 -21.368 -6.014 6.098 1.00 0.00 C ATOM 1702 CD ARG A 111 -20.685 -5.460 4.838 1.00 0.00 C ATOM 1703 NE ARG A 111 -20.871 -4.009 4.735 1.00 0.00 N ATOM 1704 CZ ARG A 111 -20.252 -3.184 3.902 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -19.329 -3.595 3.058 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -20.562 -1.907 3.928 1.00 0.00 N ATOM 0 H ARG A 111 -20.035 -9.806 6.410 1.00 0.00 H new ATOM 0 HA ARG A 111 -18.993 -7.163 6.130 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -21.276 -8.053 5.376 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -21.778 -7.915 7.050 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -22.444 -5.854 6.025 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -21.022 -5.459 6.970 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -19.621 -5.693 4.865 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -21.096 -5.947 3.953 1.00 0.00 H new ATOM 0 HE ARG A 111 -21.549 -3.590 5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -19.067 -4.580 3.029 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -18.876 -2.928 2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -21.268 -1.567 4.581 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -20.097 -1.256 3.295 1.00 0.00 H new ATOM 1720 N ASN A 112 -19.482 -8.191 9.193 1.00 0.00 N ATOM 1721 CA ASN A 112 -19.091 -7.899 10.581 1.00 0.00 C ATOM 1722 C ASN A 112 -17.626 -7.406 10.651 1.00 0.00 C ATOM 1723 O ASN A 112 -17.339 -6.380 11.269 1.00 0.00 O ATOM 1724 CB ASN A 112 -19.342 -9.164 11.420 1.00 0.00 C ATOM 1725 CG ASN A 112 -19.289 -8.908 12.922 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -18.234 -8.663 13.486 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -20.419 -8.969 13.604 1.00 0.00 N ATOM 0 H ASN A 112 -19.825 -9.143 9.061 1.00 0.00 H new ATOM 0 HA ASN A 112 -19.691 -7.086 10.990 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -20.318 -9.576 11.162 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -18.599 -9.918 11.160 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -20.416 -8.811 14.612 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -21.295 -9.174 13.123 1.00 0.00 H new ATOM 1734 N CYS A 113 -16.722 -8.060 9.911 1.00 0.00 N ATOM 1735 CA CYS A 113 -15.321 -7.658 9.722 1.00 0.00 C ATOM 1736 C CYS A 113 -15.167 -6.334 8.937 1.00 0.00 C ATOM 1737 O CYS A 113 -14.446 -5.440 9.383 1.00 0.00 O ATOM 1738 CB CYS A 113 -14.603 -8.842 9.042 1.00 0.00 C ATOM 1739 SG CYS A 113 -14.509 -10.248 10.187 1.00 0.00 S ATOM 0 H CYS A 113 -16.954 -8.916 9.408 1.00 0.00 H new ATOM 0 HA CYS A 113 -14.864 -7.440 10.687 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -15.139 -9.133 8.138 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.600 -8.543 8.736 1.00 0.00 H new ATOM 0 HG CYS A 113 -15.615 -10.929 10.129 1.00 0.00 H new ATOM 1745 N GLU A 114 -15.870 -6.159 7.813 1.00 0.00 N ATOM 1746 CA GLU A 114 -15.817 -4.897 7.050 1.00 0.00 C ATOM 1747 C GLU A 114 -16.393 -3.710 7.841 1.00 0.00 C ATOM 1748 O GLU A 114 -15.795 -2.638 7.872 1.00 0.00 O ATOM 1749 CB GLU A 114 -16.560 -5.013 5.707 1.00 0.00 C ATOM 1750 CG GLU A 114 -15.920 -5.998 4.722 1.00 0.00 C ATOM 1751 CD GLU A 114 -16.546 -5.887 3.320 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -17.793 -5.951 3.192 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -15.791 -5.724 2.332 1.00 0.00 O ATOM 0 H GLU A 114 -16.481 -6.869 7.409 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.760 -4.709 6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -17.588 -5.322 5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -16.605 -4.028 5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.849 -5.806 4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -16.040 -7.015 5.095 1.00 0.00 H new ATOM 1760 N HIS A 115 -17.518 -3.881 8.538 1.00 0.00 N ATOM 1761 CA HIS A 115 -18.091 -2.861 9.418 1.00 0.00 C ATOM 1762 C HIS A 115 -17.134 -2.519 10.575 1.00 0.00 C ATOM 1763 O HIS A 115 -17.055 -1.352 10.962 1.00 0.00 O ATOM 1764 CB HIS A 115 -19.469 -3.309 9.941 1.00 0.00 C ATOM 1765 CG HIS A 115 -20.613 -3.120 8.968 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -21.950 -3.212 9.284 1.00 0.00 N ATOM 1767 CD2 HIS A 115 -20.546 -2.738 7.651 1.00 0.00 C ATOM 1768 CE1 HIS A 115 -22.666 -2.902 8.189 1.00 0.00 C ATOM 1769 NE2 HIS A 115 -21.853 -2.605 7.160 1.00 0.00 N ATOM 0 H HIS A 115 -18.063 -4.742 8.507 1.00 0.00 H new ATOM 0 HA HIS A 115 -18.232 -1.951 8.836 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -19.413 -4.363 10.213 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -19.692 -2.756 10.853 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -22.332 -3.471 10.194 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -19.640 -2.569 7.088 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -23.745 -2.893 8.142 1.00 0.00 H new ATOM 1777 N PHE A 116 -16.360 -3.488 11.091 1.00 0.00 N ATOM 1778 CA PHE A 116 -15.283 -3.219 12.052 1.00 0.00 C ATOM 1779 C PHE A 116 -14.231 -2.267 11.459 1.00 0.00 C ATOM 1780 O PHE A 116 -14.024 -1.193 12.021 1.00 0.00 O ATOM 1781 CB PHE A 116 -14.687 -4.541 12.570 1.00 0.00 C ATOM 1782 CG PHE A 116 -13.325 -4.407 13.221 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -13.211 -3.863 14.511 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -12.167 -4.812 12.527 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -11.945 -3.726 15.107 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -10.903 -4.687 13.134 1.00 0.00 C ATOM 1787 CZ PHE A 116 -10.792 -4.154 14.427 1.00 0.00 C ATOM 0 H PHE A 116 -16.464 -4.475 10.854 1.00 0.00 H new ATOM 0 HA PHE A 116 -15.698 -2.700 12.916 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -15.378 -4.978 13.291 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -14.610 -5.240 11.738 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -14.096 -3.550 15.045 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -12.249 -5.218 11.530 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -11.858 -3.290 16.091 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -10.017 -5.002 12.603 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.824 -4.073 14.898 1.00 0.00 H new ATOM 1797 N VAL A 117 -13.626 -2.576 10.302 1.00 0.00 N ATOM 1798 CA VAL A 117 -12.627 -1.648 9.704 1.00 0.00 C ATOM 1799 C VAL A 117 -13.219 -0.354 9.140 1.00 0.00 C ATOM 1800 O VAL A 117 -12.494 0.635 9.059 1.00 0.00 O ATOM 1801 CB VAL A 117 -11.660 -2.280 8.681 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -10.565 -3.042 9.431 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -12.347 -3.152 7.624 1.00 0.00 C ATOM 0 H VAL A 117 -13.796 -3.429 9.769 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.029 -1.388 10.578 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.215 -1.467 8.107 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -9.878 -3.491 8.714 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.018 -2.353 10.075 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -11.018 -3.825 10.039 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -11.598 -3.558 6.944 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -12.874 -3.971 8.114 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.059 -2.548 7.061 1.00 0.00 H new ATOM 1813 N THR A 118 -14.521 -0.299 8.829 1.00 0.00 N ATOM 1814 CA THR A 118 -15.195 0.971 8.490 1.00 0.00 C ATOM 1815 C THR A 118 -15.340 1.842 9.733 1.00 0.00 C ATOM 1816 O THR A 118 -15.017 3.015 9.651 1.00 0.00 O ATOM 1817 CB THR A 118 -16.552 0.782 7.802 1.00 0.00 C ATOM 1818 OG1 THR A 118 -16.463 -0.220 6.811 1.00 0.00 O ATOM 1819 CG2 THR A 118 -17.000 2.058 7.085 1.00 0.00 C ATOM 0 H THR A 118 -15.132 -1.116 8.804 1.00 0.00 H new ATOM 0 HA THR A 118 -14.556 1.473 7.763 1.00 0.00 H new ATOM 0 HB THR A 118 -17.262 0.514 8.584 1.00 0.00 H new ATOM 0 HG1 THR A 118 -16.379 -1.097 7.239 1.00 0.00 H new ATOM 0 HG21 THR A 118 -17.965 1.888 6.609 1.00 0.00 H new ATOM 0 HG22 THR A 118 -17.090 2.869 7.808 1.00 0.00 H new ATOM 0 HG23 THR A 118 -16.264 2.327 6.327 1.00 0.00 H new ATOM 1827 N GLN A 119 -15.716 1.286 10.890 1.00 0.00 N ATOM 1828 CA GLN A 119 -15.731 2.018 12.170 1.00 0.00 C ATOM 1829 C GLN A 119 -14.329 2.488 12.612 1.00 0.00 C ATOM 1830 O GLN A 119 -14.226 3.494 13.319 1.00 0.00 O ATOM 1831 CB GLN A 119 -16.390 1.158 13.258 1.00 0.00 C ATOM 1832 CG GLN A 119 -17.921 1.209 13.145 1.00 0.00 C ATOM 1833 CD GLN A 119 -18.583 0.082 13.932 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -19.075 0.246 15.042 1.00 0.00 O ATOM 1835 NE2 GLN A 119 -18.595 -1.112 13.383 1.00 0.00 N ATOM 0 H GLN A 119 -16.019 0.315 10.970 1.00 0.00 H new ATOM 0 HA GLN A 119 -16.320 2.923 12.017 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -16.049 0.127 13.168 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -16.082 1.511 14.242 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -18.281 2.170 13.513 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -18.211 1.140 12.097 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -18.186 -1.253 12.459 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -19.013 -1.898 13.881 1.00 0.00 H new ATOM 1844 N LEU A 120 -13.255 1.821 12.162 1.00 0.00 N ATOM 1845 CA LEU A 120 -11.879 2.300 12.332 1.00 0.00 C ATOM 1846 C LEU A 120 -11.566 3.483 11.397 1.00 0.00 C ATOM 1847 O LEU A 120 -11.276 4.570 11.895 1.00 0.00 O ATOM 1848 CB LEU A 120 -10.896 1.125 12.173 1.00 0.00 C ATOM 1849 CG LEU A 120 -11.003 0.057 13.289 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -10.227 -1.199 12.878 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -10.463 0.579 14.628 1.00 0.00 C ATOM 0 H LEU A 120 -13.319 0.931 11.668 1.00 0.00 H new ATOM 0 HA LEU A 120 -11.761 2.693 13.342 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -11.071 0.647 11.209 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.879 1.516 12.155 1.00 0.00 H new ATOM 0 HG LEU A 120 -12.058 -0.182 13.422 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -10.304 -1.948 13.666 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -10.645 -1.599 11.954 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.179 -0.944 12.721 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -10.555 -0.199 15.386 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.414 0.853 14.515 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -11.036 1.454 14.935 1.00 0.00 H new ATOM 1863 N ARG A 121 -11.671 3.321 10.063 1.00 0.00 N ATOM 1864 CA ARG A 121 -11.416 4.404 9.078 1.00 0.00 C ATOM 1865 C ARG A 121 -12.549 5.444 8.953 1.00 0.00 C ATOM 1866 O ARG A 121 -12.520 6.293 8.057 1.00 0.00 O ATOM 1867 CB ARG A 121 -10.989 3.830 7.704 1.00 0.00 C ATOM 1868 CG ARG A 121 -12.143 3.283 6.839 1.00 0.00 C ATOM 1869 CD ARG A 121 -11.715 2.901 5.415 1.00 0.00 C ATOM 1870 NE ARG A 121 -10.879 1.685 5.377 1.00 0.00 N ATOM 1871 CZ ARG A 121 -11.283 0.420 5.325 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -12.547 0.070 5.442 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -10.390 -0.522 5.129 1.00 0.00 N ATOM 0 H ARG A 121 -11.935 2.435 9.632 1.00 0.00 H new ATOM 0 HA ARG A 121 -10.578 4.970 9.484 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -10.475 4.611 7.145 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -10.268 3.029 7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -12.570 2.408 7.329 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -12.932 4.033 6.784 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -12.603 2.745 4.803 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -11.163 3.730 4.971 1.00 0.00 H new ATOM 0 HE ARG A 121 -9.870 1.834 5.393 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -13.263 0.783 5.579 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -12.810 -0.914 5.396 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -9.406 -0.277 5.020 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -10.680 -1.499 5.086 1.00 0.00 H new ATOM 1887 N TYR A 122 -13.552 5.387 9.833 1.00 0.00 N ATOM 1888 CA TYR A 122 -14.796 6.177 9.814 1.00 0.00 C ATOM 1889 C TYR A 122 -14.539 7.698 9.803 1.00 0.00 C ATOM 1890 O TYR A 122 -15.348 8.475 9.296 1.00 0.00 O ATOM 1891 CB TYR A 122 -15.601 5.829 11.080 1.00 0.00 C ATOM 1892 CG TYR A 122 -17.097 6.056 10.967 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -17.930 5.022 10.486 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -17.664 7.287 11.360 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -19.322 5.216 10.389 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -19.055 7.487 11.264 1.00 0.00 C ATOM 1897 CZ TYR A 122 -19.887 6.454 10.774 1.00 0.00 C ATOM 1898 OH TYR A 122 -21.231 6.654 10.680 1.00 0.00 O ATOM 0 H TYR A 122 -13.520 4.750 10.629 1.00 0.00 H new ATOM 0 HA TYR A 122 -15.335 5.930 8.900 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -15.425 4.783 11.329 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -15.220 6.423 11.910 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -17.498 4.077 10.191 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -17.030 8.077 11.735 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -19.955 4.422 10.022 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -19.486 8.430 11.565 1.00 0.00 H new ATOM 0 HH TYR A 122 -21.449 7.559 10.987 1.00 0.00 H new ATOM 1908 N GLY A 123 -13.387 8.093 10.367 1.00 0.00 N ATOM 1909 CA GLY A 123 -12.966 9.474 10.641 1.00 0.00 C ATOM 1910 C GLY A 123 -12.916 10.392 9.420 1.00 0.00 C ATOM 1911 O GLY A 123 -13.058 11.604 9.570 1.00 0.00 O ATOM 0 H GLY A 123 -12.683 7.416 10.661 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -13.648 9.906 11.373 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.978 9.452 11.100 1.00 0.00 H new ATOM 1915 N LYS A 124 -12.733 9.830 8.216 1.00 0.00 N ATOM 1916 CA LYS A 124 -12.653 10.601 6.961 1.00 0.00 C ATOM 1917 C LYS A 124 -13.176 9.831 5.722 1.00 0.00 C ATOM 1918 O LYS A 124 -12.908 10.229 4.585 1.00 0.00 O ATOM 1919 CB LYS A 124 -11.193 11.102 6.839 1.00 0.00 C ATOM 1920 CG LYS A 124 -10.949 12.342 5.959 1.00 0.00 C ATOM 1921 CD LYS A 124 -11.637 13.608 6.490 1.00 0.00 C ATOM 1922 CE LYS A 124 -11.224 14.824 5.646 1.00 0.00 C ATOM 1923 NZ LYS A 124 -11.876 16.075 6.122 1.00 0.00 N ATOM 0 H LYS A 124 -12.636 8.824 8.082 1.00 0.00 H new ATOM 0 HA LYS A 124 -13.329 11.455 6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -10.825 11.321 7.842 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.586 10.285 6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -9.876 12.523 5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -11.306 12.139 4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -12.719 13.484 6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -11.365 13.770 7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -10.141 14.942 5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -11.490 14.650 4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -11.572 16.873 5.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -12.909 15.972 6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -11.602 16.255 7.109 1.00 0.00 H new ATOM 1937 N SER A 125 -13.904 8.721 5.927 1.00 0.00 N ATOM 1938 CA SER A 125 -14.555 7.931 4.856 1.00 0.00 C ATOM 1939 C SER A 125 -15.887 8.534 4.369 1.00 0.00 C ATOM 1940 O SER A 125 -16.463 7.949 3.421 1.00 0.00 O ATOM 1941 CB SER A 125 -14.751 6.487 5.320 1.00 0.00 C ATOM 1942 OG SER A 125 -15.161 5.769 4.181 1.00 0.00 O ATOM 1943 OXT SER A 125 -16.359 9.551 4.928 1.00 0.00 O ATOM 0 H SER A 125 -14.063 8.336 6.858 1.00 0.00 H new ATOM 0 HA SER A 125 -13.886 7.955 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 125 -13.826 6.079 5.727 1.00 0.00 H new ATOM 0 HB3 SER A 125 -15.500 6.429 6.109 1.00 0.00 H new ATOM 0 HG SER A 125 -15.684 6.356 3.595 1.00 0.00 H new