USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 601 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 16 HIS : no HE2:sc= -3.35! K(o=-4!,f=-6.7) USER MOD Set 1.2: A 64 GLN : amide:sc= -0.664 X(o=-4,f=-4) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.197 F(o=-0.82,f=-0.2) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 69:sc= -0.0939 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0262) USER MOD Single : A 42 THR OG1 : rot -73:sc= 0.234 USER MOD Single : A 43 THR OG1 : rot 80:sc= 0.69 USER MOD Single : A 44 TYR OH : rot 30:sc= -0.0086 USER MOD Single : A 46 SER OG : rot 68:sc= 0.015 USER MOD Single : A 49 MET CE :methyl 153:sc= -4.92! (180deg=-8.86!) USER MOD Single : A 50 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0246) USER MOD Single : A 52 THR OG1 : rot 130:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.21) USER MOD Single : A 58 HIS : no HD1:sc= -4.12! C(o=-4.1!,f=-6.1!) USER MOD Single : A 60 SER OG : rot -57:sc= 1.22 USER MOD Single : A 67 SER OG : rot 180:sc= -0.147 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -2.37! C(o=-3.9!,f=-2.4!) USER MOD Single : A 69 MET CE :methyl -167:sc= -0.981 (180deg=-1.54) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0893 K(o=-0.089,f=-0.6) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N GLY A 10 -5.835 18.660 0.795 1.00 0.00 N ATOM 99 CA GLY A 10 -6.154 18.276 -0.567 1.00 0.00 C ATOM 100 C GLY A 10 -5.485 16.979 -0.976 1.00 0.00 C ATOM 101 O GLY A 10 -6.129 15.939 -1.113 1.00 0.00 O ATOM 0 HA2 GLY A 10 -7.234 18.172 -0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.846 19.070 -1.247 1.00 0.00 H new ATOM 105 N PRO A 11 -4.160 17.032 -1.180 1.00 0.00 N ATOM 106 CA PRO A 11 -3.374 15.861 -1.580 1.00 0.00 C ATOM 107 C PRO A 11 -3.260 14.830 -0.462 1.00 0.00 C ATOM 108 O PRO A 11 -3.032 13.646 -0.716 1.00 0.00 O ATOM 109 CB PRO A 11 -1.999 16.451 -1.905 1.00 0.00 C ATOM 110 CG PRO A 11 -1.924 17.702 -1.100 1.00 0.00 C ATOM 111 CD PRO A 11 -3.328 18.238 -1.035 1.00 0.00 C ATOM 0 HA PRO A 11 -3.832 15.328 -2.413 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.199 15.760 -1.639 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.899 16.659 -2.970 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.537 17.501 -0.101 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.252 18.424 -1.563 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.520 18.748 -0.091 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.521 18.957 -1.831 1.00 0.00 H new ATOM 119 N LEU A 12 -3.420 15.286 0.775 1.00 0.00 N ATOM 120 CA LEU A 12 -3.336 14.402 1.933 1.00 0.00 C ATOM 121 C LEU A 12 -4.509 13.428 1.961 1.00 0.00 C ATOM 122 O LEU A 12 -4.324 12.223 2.127 1.00 0.00 O ATOM 123 CB LEU A 12 -3.308 15.222 3.224 1.00 0.00 C ATOM 124 CG LEU A 12 -1.981 15.904 3.557 1.00 0.00 C ATOM 125 CD1 LEU A 12 -2.183 16.975 4.619 1.00 0.00 C ATOM 126 CD2 LEU A 12 -0.955 14.879 4.019 1.00 0.00 C ATOM 0 H LEU A 12 -3.609 16.262 1.002 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.413 13.828 1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.081 15.988 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.575 14.567 4.053 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.604 16.383 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.228 17.450 4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.883 17.725 4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.583 16.519 5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.017 15.383 4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.324 14.370 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.788 14.149 3.227 1.00 0.00 H new ATOM 138 N ASN A 13 -5.716 13.958 1.795 1.00 0.00 N ATOM 139 CA ASN A 13 -6.920 13.135 1.800 1.00 0.00 C ATOM 140 C ASN A 13 -6.927 12.175 0.614 1.00 0.00 C ATOM 141 O ASN A 13 -7.128 10.970 0.778 1.00 0.00 O ATOM 142 CB ASN A 13 -8.168 14.020 1.760 1.00 0.00 C ATOM 143 CG ASN A 13 -9.434 13.248 2.077 1.00 0.00 C ATOM 144 OD1 ASN A 13 -9.560 12.652 3.147 1.00 0.00 O ATOM 145 ND2 ASN A 13 -10.380 13.255 1.144 1.00 0.00 N ATOM 0 H ASN A 13 -5.887 14.954 1.655 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.926 12.550 2.720 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.055 14.836 2.474 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.259 14.471 0.772 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.254 12.753 1.300 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.232 13.763 0.272 1.00 0.00 H new ATOM 152 N LEU A 14 -6.706 12.715 -0.579 1.00 0.00 N ATOM 153 CA LEU A 14 -6.685 11.906 -1.793 1.00 0.00 C ATOM 154 C LEU A 14 -5.773 10.695 -1.625 1.00 0.00 C ATOM 155 O LEU A 14 -6.062 9.613 -2.135 1.00 0.00 O ATOM 156 CB LEU A 14 -6.221 12.748 -2.982 1.00 0.00 C ATOM 157 CG LEU A 14 -7.273 13.665 -3.607 1.00 0.00 C ATOM 158 CD1 LEU A 14 -6.639 14.570 -4.652 1.00 0.00 C ATOM 159 CD2 LEU A 14 -8.398 12.844 -4.221 1.00 0.00 C ATOM 0 H LEU A 14 -6.539 13.709 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.698 11.551 -1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.379 13.361 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.849 12.075 -3.755 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.694 14.292 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.403 15.215 -5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.869 15.183 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.190 13.961 -5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.138 13.513 -4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.992 12.192 -4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.871 12.239 -3.448 1.00 0.00 H new ATOM 171 N ALA A 15 -4.672 10.885 -0.905 1.00 0.00 N ATOM 172 CA ALA A 15 -3.720 9.808 -0.667 1.00 0.00 C ATOM 173 C ALA A 15 -4.278 8.792 0.324 1.00 0.00 C ATOM 174 O ALA A 15 -4.011 7.594 0.218 1.00 0.00 O ATOM 175 CB ALA A 15 -2.401 10.372 -0.161 1.00 0.00 C ATOM 0 H ALA A 15 -4.418 11.775 -0.477 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.544 9.296 -1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.699 9.556 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.988 11.054 -0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.569 10.910 0.772 1.00 0.00 H new ATOM 181 N HIS A 16 -5.052 9.277 1.289 1.00 0.00 N ATOM 182 CA HIS A 16 -5.648 8.410 2.300 1.00 0.00 C ATOM 183 C HIS A 16 -6.601 7.405 1.661 1.00 0.00 C ATOM 184 O HIS A 16 -6.638 6.238 2.049 1.00 0.00 O ATOM 185 CB HIS A 16 -6.392 9.245 3.344 1.00 0.00 C ATOM 186 CG HIS A 16 -5.532 10.272 4.013 1.00 0.00 C ATOM 187 ND1 HIS A 16 -6.045 11.314 4.756 1.00 0.00 N ATOM 188 CD2 HIS A 16 -4.186 10.411 4.051 1.00 0.00 C ATOM 189 CE1 HIS A 16 -5.052 12.052 5.220 1.00 0.00 C ATOM 190 NE2 HIS A 16 -3.913 11.525 4.807 1.00 0.00 N ATOM 0 H HIS A 16 -5.282 10.265 1.393 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.845 7.860 2.791 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.234 9.745 2.865 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.805 8.580 4.102 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -7.036 11.488 4.922 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.462 9.766 3.576 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.154 12.936 5.833 1.00 0.00 H new ATOM 199 N GLN A 17 -7.371 7.868 0.681 1.00 0.00 N ATOM 200 CA GLN A 17 -8.325 7.009 -0.010 1.00 0.00 C ATOM 201 C GLN A 17 -7.650 5.733 -0.505 1.00 0.00 C ATOM 202 O GLN A 17 -8.134 4.629 -0.259 1.00 0.00 O ATOM 203 CB GLN A 17 -8.956 7.755 -1.187 1.00 0.00 C ATOM 204 CG GLN A 17 -9.943 8.832 -0.765 1.00 0.00 C ATOM 205 CD GLN A 17 -10.574 9.541 -1.947 1.00 0.00 C ATOM 206 OE1 GLN A 17 -10.296 10.832 -2.080 1.00 0.00 O flip ATOM 207 NE2 GLN A 17 -11.304 8.934 -2.732 1.00 0.00 N flip ATOM 0 H GLN A 17 -7.353 8.832 0.348 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.107 6.734 0.698 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.166 8.211 -1.783 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.466 7.038 -1.830 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.727 8.382 -0.155 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.432 9.563 -0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.491 7.941 -2.591 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.722 9.424 -3.523 1.00 0.00 H new ATOM 216 N GLN A 18 -6.531 5.895 -1.204 1.00 0.00 N ATOM 217 CA GLN A 18 -5.792 4.756 -1.734 1.00 0.00 C ATOM 218 C GLN A 18 -5.398 3.794 -0.617 1.00 0.00 C ATOM 219 O GLN A 18 -5.677 2.597 -0.689 1.00 0.00 O ATOM 220 CB GLN A 18 -4.542 5.233 -2.476 1.00 0.00 C ATOM 221 CG GLN A 18 -4.843 5.909 -3.803 1.00 0.00 C ATOM 222 CD GLN A 18 -4.932 4.925 -4.953 1.00 0.00 C ATOM 223 OE1 GLN A 18 -4.022 4.126 -5.173 1.00 0.00 O ATOM 224 NE2 GLN A 18 -6.033 4.979 -5.694 1.00 0.00 N ATOM 0 H GLN A 18 -6.117 6.803 -1.416 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.441 4.227 -2.432 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.995 5.928 -1.839 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.887 4.380 -2.653 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.783 6.455 -3.723 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.066 6.643 -4.017 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.762 5.658 -5.475 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.149 4.342 -6.482 1.00 0.00 H new ATOM 233 N SER A 19 -4.749 4.326 0.413 1.00 0.00 N ATOM 234 CA SER A 19 -4.314 3.514 1.544 1.00 0.00 C ATOM 235 C SER A 19 -5.346 2.440 1.870 1.00 0.00 C ATOM 236 O SER A 19 -5.010 1.265 2.017 1.00 0.00 O ATOM 237 CB SER A 19 -4.074 4.397 2.770 1.00 0.00 C ATOM 238 OG SER A 19 -3.535 3.644 3.843 1.00 0.00 O ATOM 0 H SER A 19 -4.513 5.315 0.488 1.00 0.00 H new ATOM 0 HA SER A 19 -3.380 3.024 1.270 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.392 5.207 2.511 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.012 4.857 3.080 1.00 0.00 H new ATOM 0 HG SER A 19 -3.389 4.231 4.614 1.00 0.00 H new ATOM 244 N ARG A 20 -6.605 2.852 1.983 1.00 0.00 N ATOM 245 CA ARG A 20 -7.687 1.926 2.293 1.00 0.00 C ATOM 246 C ARG A 20 -7.640 0.707 1.376 1.00 0.00 C ATOM 247 O ARG A 20 -7.528 -0.427 1.840 1.00 0.00 O ATOM 248 CB ARG A 20 -9.040 2.626 2.159 1.00 0.00 C ATOM 249 CG ARG A 20 -9.280 3.695 3.213 1.00 0.00 C ATOM 250 CD ARG A 20 -10.670 4.298 3.088 1.00 0.00 C ATOM 251 NE ARG A 20 -11.658 3.564 3.875 1.00 0.00 N ATOM 252 CZ ARG A 20 -12.903 3.984 4.069 1.00 0.00 C ATOM 253 NH1 ARG A 20 -13.311 5.127 3.536 1.00 0.00 N ATOM 254 NH2 ARG A 20 -13.743 3.259 4.796 1.00 0.00 N ATOM 0 H ARG A 20 -6.900 3.821 1.864 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.560 1.590 3.322 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.108 3.081 1.171 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.833 1.881 2.222 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.158 3.262 4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.531 4.481 3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.645 5.337 3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.971 4.301 2.040 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.376 2.680 4.299 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.668 5.686 2.975 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.268 5.447 3.687 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.433 2.378 5.207 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.699 3.582 4.944 1.00 0.00 H new ATOM 268 N ARG A 21 -7.728 0.951 0.072 1.00 0.00 N ATOM 269 CA ARG A 21 -7.697 -0.127 -0.910 1.00 0.00 C ATOM 270 C ARG A 21 -6.649 -1.172 -0.537 1.00 0.00 C ATOM 271 O ARG A 21 -6.962 -2.353 -0.390 1.00 0.00 O ATOM 272 CB ARG A 21 -7.402 0.433 -2.303 1.00 0.00 C ATOM 273 CG ARG A 21 -6.990 -0.628 -3.310 1.00 0.00 C ATOM 274 CD ARG A 21 -7.401 -0.244 -4.723 1.00 0.00 C ATOM 275 NE ARG A 21 -7.562 -1.413 -5.583 1.00 0.00 N ATOM 276 CZ ARG A 21 -7.747 -1.339 -6.897 1.00 0.00 C ATOM 277 NH1 ARG A 21 -7.792 -0.158 -7.498 1.00 0.00 N ATOM 278 NH2 ARG A 21 -7.885 -2.448 -7.612 1.00 0.00 N ATOM 0 H ARG A 21 -7.821 1.884 -0.329 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.676 -0.607 -0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.288 0.949 -2.673 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.609 1.177 -2.226 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.910 -0.770 -3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.447 -1.581 -3.043 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.337 0.313 -4.689 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.650 0.420 -5.151 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.531 -2.337 -5.152 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.684 0.697 -6.952 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.934 -0.104 -8.507 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.849 -3.358 -7.153 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.027 -2.390 -8.620 1.00 0.00 H new ATOM 292 N ALA A 22 -5.406 -0.728 -0.387 1.00 0.00 N ATOM 293 CA ALA A 22 -4.313 -1.624 -0.031 1.00 0.00 C ATOM 294 C ALA A 22 -4.698 -2.521 1.141 1.00 0.00 C ATOM 295 O ALA A 22 -4.471 -3.730 1.110 1.00 0.00 O ATOM 296 CB ALA A 22 -3.062 -0.825 0.302 1.00 0.00 C ATOM 0 H ALA A 22 -5.131 0.247 -0.506 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.105 -2.262 -0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.254 -1.507 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.768 -0.232 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.267 -0.162 1.143 1.00 0.00 H new ATOM 302 N ASP A 23 -5.280 -1.920 2.173 1.00 0.00 N ATOM 303 CA ASP A 23 -5.696 -2.664 3.356 1.00 0.00 C ATOM 304 C ASP A 23 -6.724 -3.731 2.992 1.00 0.00 C ATOM 305 O ASP A 23 -6.521 -4.917 3.253 1.00 0.00 O ATOM 306 CB ASP A 23 -6.278 -1.714 4.404 1.00 0.00 C ATOM 307 CG ASP A 23 -5.223 -1.186 5.356 1.00 0.00 C ATOM 308 OD1 ASP A 23 -4.460 -2.005 5.908 1.00 0.00 O ATOM 309 OD2 ASP A 23 -5.161 0.046 5.549 1.00 0.00 O ATOM 0 H ASP A 23 -5.474 -0.920 2.214 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.818 -3.157 3.773 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.762 -0.876 3.902 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.049 -2.234 4.973 1.00 0.00 H new ATOM 314 N ARG A 24 -7.828 -3.301 2.389 1.00 0.00 N ATOM 315 CA ARG A 24 -8.888 -4.219 1.992 1.00 0.00 C ATOM 316 C ARG A 24 -8.327 -5.376 1.170 1.00 0.00 C ATOM 317 O ARG A 24 -8.862 -6.485 1.192 1.00 0.00 O ATOM 318 CB ARG A 24 -9.958 -3.479 1.187 1.00 0.00 C ATOM 319 CG ARG A 24 -10.876 -2.619 2.040 1.00 0.00 C ATOM 320 CD ARG A 24 -12.073 -3.411 2.542 1.00 0.00 C ATOM 321 NE ARG A 24 -12.906 -2.627 3.450 1.00 0.00 N ATOM 322 CZ ARG A 24 -13.806 -3.161 4.268 1.00 0.00 C ATOM 323 NH1 ARG A 24 -13.987 -4.474 4.293 1.00 0.00 N ATOM 324 NH2 ARG A 24 -14.526 -2.382 5.065 1.00 0.00 N ATOM 0 H ARG A 24 -8.011 -2.323 2.165 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.340 -4.625 2.897 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.470 -2.848 0.444 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.559 -4.207 0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.319 -2.222 2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.222 -1.765 1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.672 -3.740 1.693 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.725 -4.309 3.053 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.790 -1.614 3.456 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.434 -5.077 3.683 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.679 -4.882 4.922 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.389 -1.371 5.050 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.217 -2.794 5.693 1.00 0.00 H new ATOM 338 N LEU A 25 -7.246 -5.109 0.445 1.00 0.00 N ATOM 339 CA LEU A 25 -6.611 -6.127 -0.385 1.00 0.00 C ATOM 340 C LEU A 25 -5.779 -7.082 0.464 1.00 0.00 C ATOM 341 O LEU A 25 -5.865 -8.301 0.313 1.00 0.00 O ATOM 342 CB LEU A 25 -5.728 -5.469 -1.447 1.00 0.00 C ATOM 343 CG LEU A 25 -6.462 -4.715 -2.557 1.00 0.00 C ATOM 344 CD1 LEU A 25 -5.566 -3.640 -3.153 1.00 0.00 C ATOM 345 CD2 LEU A 25 -6.933 -5.678 -3.636 1.00 0.00 C ATOM 0 H LEU A 25 -6.791 -4.197 0.415 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.396 -6.700 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.052 -4.774 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.110 -6.241 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.338 -4.231 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.104 -3.114 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.279 -2.933 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.672 -4.102 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.453 -5.123 -4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.073 -6.191 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.611 -6.411 -3.199 1.00 0.00 H new ATOM 357 N LEU A 26 -4.975 -6.520 1.360 1.00 0.00 N ATOM 358 CA LEU A 26 -4.128 -7.321 2.237 1.00 0.00 C ATOM 359 C LEU A 26 -4.944 -8.393 2.952 1.00 0.00 C ATOM 360 O LEU A 26 -4.469 -9.507 3.169 1.00 0.00 O ATOM 361 CB LEU A 26 -3.430 -6.426 3.262 1.00 0.00 C ATOM 362 CG LEU A 26 -2.930 -7.120 4.530 1.00 0.00 C ATOM 363 CD1 LEU A 26 -1.826 -8.111 4.195 1.00 0.00 C ATOM 364 CD2 LEU A 26 -2.441 -6.095 5.542 1.00 0.00 C ATOM 0 H LEU A 26 -4.892 -5.513 1.498 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.375 -7.814 1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.581 -5.945 2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.121 -5.635 3.553 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.761 -7.669 4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.482 -8.595 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.210 -8.864 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.994 -7.584 3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.089 -6.607 6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.624 -5.518 5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.259 -5.425 5.805 1.00 0.00 H new ATOM 376 N ALA A 27 -6.175 -8.048 3.315 1.00 0.00 N ATOM 377 CA ALA A 27 -7.059 -8.981 4.001 1.00 0.00 C ATOM 378 C ALA A 27 -7.444 -10.144 3.092 1.00 0.00 C ATOM 379 O ALA A 27 -7.689 -11.255 3.560 1.00 0.00 O ATOM 380 CB ALA A 27 -8.305 -8.262 4.496 1.00 0.00 C ATOM 0 H ALA A 27 -6.582 -7.128 3.145 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.522 -9.386 4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.956 -8.972 5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.018 -7.471 5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.835 -7.828 3.648 1.00 0.00 H new ATOM 386 N ALA A 28 -7.495 -9.879 1.790 1.00 0.00 N ATOM 387 CA ALA A 28 -7.848 -10.903 0.816 1.00 0.00 C ATOM 388 C ALA A 28 -6.601 -11.570 0.243 1.00 0.00 C ATOM 389 O ALA A 28 -6.661 -12.237 -0.788 1.00 0.00 O ATOM 390 CB ALA A 28 -8.687 -10.302 -0.301 1.00 0.00 C ATOM 0 H ALA A 28 -7.296 -8.964 1.386 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.435 -11.667 1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.943 -11.079 -1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.600 -9.879 0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.119 -9.517 -0.800 1.00 0.00 H new ATOM 396 N GLY A 29 -5.472 -11.383 0.920 1.00 0.00 N ATOM 397 CA GLY A 29 -4.227 -11.971 0.462 1.00 0.00 C ATOM 398 C GLY A 29 -3.790 -11.429 -0.884 1.00 0.00 C ATOM 399 O GLY A 29 -3.012 -12.066 -1.595 1.00 0.00 O ATOM 0 H GLY A 29 -5.398 -10.835 1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.446 -11.780 1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.343 -13.053 0.394 1.00 0.00 H new ATOM 403 N LYS A 30 -4.292 -10.251 -1.237 1.00 0.00 N ATOM 404 CA LYS A 30 -3.950 -9.623 -2.507 1.00 0.00 C ATOM 405 C LYS A 30 -2.749 -8.696 -2.350 1.00 0.00 C ATOM 406 O LYS A 30 -2.702 -7.618 -2.944 1.00 0.00 O ATOM 407 CB LYS A 30 -5.146 -8.837 -3.050 1.00 0.00 C ATOM 408 CG LYS A 30 -6.292 -9.719 -3.515 1.00 0.00 C ATOM 409 CD LYS A 30 -6.098 -10.173 -4.953 1.00 0.00 C ATOM 410 CE LYS A 30 -7.430 -10.407 -5.648 1.00 0.00 C ATOM 411 NZ LYS A 30 -7.924 -11.798 -5.446 1.00 0.00 N ATOM 0 H LYS A 30 -4.938 -9.711 -0.661 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.689 -10.411 -3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.509 -8.162 -2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.815 -8.217 -3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.369 -10.590 -2.865 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.231 -9.173 -3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.529 -9.421 -5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.511 -11.092 -4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.168 -9.701 -5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.322 -10.211 -6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.834 -11.918 -5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.232 -12.472 -5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.051 -11.977 -4.429 1.00 0.00 H new ATOM 425 N TYR A 31 -1.780 -9.122 -1.548 1.00 0.00 N ATOM 426 CA TYR A 31 -0.579 -8.329 -1.312 1.00 0.00 C ATOM 427 C TYR A 31 -0.164 -7.579 -2.574 1.00 0.00 C ATOM 428 O TYR A 31 -0.144 -6.349 -2.599 1.00 0.00 O ATOM 429 CB TYR A 31 0.566 -9.227 -0.839 1.00 0.00 C ATOM 430 CG TYR A 31 0.240 -10.019 0.407 1.00 0.00 C ATOM 431 CD1 TYR A 31 0.489 -9.497 1.670 1.00 0.00 C ATOM 432 CD2 TYR A 31 -0.316 -11.289 0.321 1.00 0.00 C ATOM 433 CE1 TYR A 31 0.193 -10.217 2.812 1.00 0.00 C ATOM 434 CE2 TYR A 31 -0.616 -12.016 1.457 1.00 0.00 C ATOM 435 CZ TYR A 31 -0.359 -11.475 2.700 1.00 0.00 C ATOM 436 OH TYR A 31 -0.656 -12.196 3.834 1.00 0.00 O ATOM 0 H TYR A 31 -1.802 -10.012 -1.050 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.804 -7.599 -0.535 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.829 -9.918 -1.640 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.445 -8.611 -0.648 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.921 -8.512 1.761 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.517 -11.716 -0.651 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.393 -9.796 3.786 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.049 -13.002 1.373 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.040 -13.061 3.580 1.00 0.00 H new ATOM 446 N GLU A 32 0.165 -8.331 -3.620 1.00 0.00 N ATOM 447 CA GLU A 32 0.579 -7.737 -4.886 1.00 0.00 C ATOM 448 C GLU A 32 -0.261 -6.506 -5.210 1.00 0.00 C ATOM 449 O GLU A 32 0.271 -5.418 -5.425 1.00 0.00 O ATOM 450 CB GLU A 32 0.462 -8.761 -6.017 1.00 0.00 C ATOM 451 CG GLU A 32 1.202 -8.358 -7.281 1.00 0.00 C ATOM 452 CD GLU A 32 0.665 -7.076 -7.887 1.00 0.00 C ATOM 453 OE1 GLU A 32 -0.572 -6.935 -7.980 1.00 0.00 O ATOM 454 OE2 GLU A 32 1.484 -6.213 -8.268 1.00 0.00 O ATOM 0 H GLU A 32 0.153 -9.351 -3.616 1.00 0.00 H new ATOM 0 HA GLU A 32 1.620 -7.429 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.848 -9.719 -5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.592 -8.909 -6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.261 -8.232 -7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.126 -9.161 -8.014 1.00 0.00 H new ATOM 461 N GLU A 33 -1.578 -6.688 -5.245 1.00 0.00 N ATOM 462 CA GLU A 33 -2.492 -5.592 -5.544 1.00 0.00 C ATOM 463 C GLU A 33 -2.130 -4.346 -4.741 1.00 0.00 C ATOM 464 O GLU A 33 -2.006 -3.253 -5.293 1.00 0.00 O ATOM 465 CB GLU A 33 -3.934 -6.005 -5.244 1.00 0.00 C ATOM 466 CG GLU A 33 -4.450 -7.114 -6.144 1.00 0.00 C ATOM 467 CD GLU A 33 -4.562 -6.685 -7.594 1.00 0.00 C ATOM 468 OE1 GLU A 33 -3.512 -6.550 -8.256 1.00 0.00 O ATOM 469 OE2 GLU A 33 -5.701 -6.485 -8.066 1.00 0.00 O ATOM 0 H GLU A 33 -2.035 -7.583 -5.070 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.402 -5.357 -6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.001 -6.331 -4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.581 -5.134 -5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.783 -7.973 -6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.428 -7.439 -5.789 1.00 0.00 H new ATOM 476 N ALA A 34 -1.962 -4.520 -3.435 1.00 0.00 N ATOM 477 CA ALA A 34 -1.613 -3.411 -2.555 1.00 0.00 C ATOM 478 C ALA A 34 -0.247 -2.835 -2.913 1.00 0.00 C ATOM 479 O ALA A 34 -0.070 -1.617 -2.965 1.00 0.00 O ATOM 480 CB ALA A 34 -1.633 -3.863 -1.102 1.00 0.00 C ATOM 0 H ALA A 34 -2.062 -5.418 -2.962 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.356 -2.625 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.371 -3.025 -0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.631 -4.220 -0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.912 -4.669 -0.962 1.00 0.00 H new ATOM 486 N ILE A 35 0.716 -3.717 -3.159 1.00 0.00 N ATOM 487 CA ILE A 35 2.065 -3.296 -3.513 1.00 0.00 C ATOM 488 C ILE A 35 2.038 -2.133 -4.500 1.00 0.00 C ATOM 489 O ILE A 35 2.616 -1.076 -4.246 1.00 0.00 O ATOM 490 CB ILE A 35 2.875 -4.454 -4.125 1.00 0.00 C ATOM 491 CG1 ILE A 35 3.000 -5.603 -3.123 1.00 0.00 C ATOM 492 CG2 ILE A 35 4.251 -3.969 -4.557 1.00 0.00 C ATOM 493 CD1 ILE A 35 3.682 -6.828 -3.690 1.00 0.00 C ATOM 0 H ILE A 35 0.586 -4.728 -3.119 1.00 0.00 H new ATOM 0 HA ILE A 35 2.546 -2.975 -2.589 1.00 0.00 H new ATOM 0 HB ILE A 35 2.348 -4.820 -5.006 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.558 -5.257 -2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.005 -5.880 -2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.811 -4.799 -4.987 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.142 -3.180 -5.302 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.788 -3.579 -3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.736 -7.602 -2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.113 -7.200 -4.542 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.690 -6.567 -4.013 1.00 0.00 H new ATOM 505 N SER A 36 1.359 -2.335 -5.625 1.00 0.00 N ATOM 506 CA SER A 36 1.257 -1.304 -6.651 1.00 0.00 C ATOM 507 C SER A 36 0.427 -0.123 -6.154 1.00 0.00 C ATOM 508 O SER A 36 0.832 1.032 -6.286 1.00 0.00 O ATOM 509 CB SER A 36 0.632 -1.881 -7.923 1.00 0.00 C ATOM 510 OG SER A 36 -0.589 -2.541 -7.638 1.00 0.00 O ATOM 0 H SER A 36 0.872 -3.203 -5.849 1.00 0.00 H new ATOM 0 HA SER A 36 2.263 -0.950 -6.877 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.457 -1.080 -8.641 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.327 -2.580 -8.388 1.00 0.00 H new ATOM 0 HG SER A 36 -0.969 -2.899 -8.467 1.00 0.00 H new ATOM 516 N CYS A 37 -0.734 -0.423 -5.583 1.00 0.00 N ATOM 517 CA CYS A 37 -1.622 0.612 -5.067 1.00 0.00 C ATOM 518 C CYS A 37 -0.824 1.740 -4.419 1.00 0.00 C ATOM 519 O CYS A 37 -1.068 2.918 -4.682 1.00 0.00 O ATOM 520 CB CYS A 37 -2.600 0.016 -4.054 1.00 0.00 C ATOM 521 SG CYS A 37 -3.782 -1.151 -4.768 1.00 0.00 S ATOM 0 H CYS A 37 -1.082 -1.374 -5.466 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.185 1.024 -5.905 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.033 -0.490 -3.272 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.150 0.827 -3.576 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.157 -2.228 -5.142 1.00 0.00 H new ATOM 527 N HIS A 38 0.130 1.370 -3.570 1.00 0.00 N ATOM 528 CA HIS A 38 0.963 2.351 -2.884 1.00 0.00 C ATOM 529 C HIS A 38 1.837 3.111 -3.876 1.00 0.00 C ATOM 530 O HIS A 38 1.904 4.340 -3.845 1.00 0.00 O ATOM 531 CB HIS A 38 1.840 1.662 -1.837 1.00 0.00 C ATOM 532 CG HIS A 38 1.077 1.171 -0.646 1.00 0.00 C ATOM 533 ND1 HIS A 38 0.336 2.002 0.168 1.00 0.00 N ATOM 534 CD2 HIS A 38 0.941 -0.075 -0.133 1.00 0.00 C ATOM 535 CE1 HIS A 38 -0.221 1.289 1.131 1.00 0.00 C ATOM 536 NE2 HIS A 38 0.130 0.025 0.970 1.00 0.00 N ATOM 0 H HIS A 38 0.345 0.400 -3.341 1.00 0.00 H new ATOM 0 HA HIS A 38 0.306 3.064 -2.386 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.353 0.820 -2.302 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.609 2.359 -1.504 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.388 -0.979 -0.520 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.855 1.674 1.916 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.155 -0.750 1.568 1.00 0.00 H new ATOM 545 N ARG A 39 2.506 2.372 -4.755 1.00 0.00 N ATOM 546 CA ARG A 39 3.378 2.977 -5.756 1.00 0.00 C ATOM 547 C ARG A 39 2.692 4.163 -6.428 1.00 0.00 C ATOM 548 O ARG A 39 3.329 5.172 -6.732 1.00 0.00 O ATOM 549 CB ARG A 39 3.777 1.941 -6.808 1.00 0.00 C ATOM 550 CG ARG A 39 4.486 0.727 -6.229 1.00 0.00 C ATOM 551 CD ARG A 39 5.368 0.049 -7.267 1.00 0.00 C ATOM 552 NE ARG A 39 4.584 -0.694 -8.249 1.00 0.00 N ATOM 553 CZ ARG A 39 5.112 -1.555 -9.112 1.00 0.00 C ATOM 554 NH1 ARG A 39 6.419 -1.780 -9.112 1.00 0.00 N ATOM 555 NH2 ARG A 39 4.333 -2.194 -9.976 1.00 0.00 N ATOM 0 H ARG A 39 2.461 1.354 -4.795 1.00 0.00 H new ATOM 0 HA ARG A 39 4.275 3.336 -5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.883 1.611 -7.338 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.427 2.414 -7.544 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.093 1.031 -5.377 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.748 0.016 -5.857 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.970 0.800 -7.777 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.060 -0.629 -6.768 1.00 0.00 H new ATOM 0 HE ARG A 39 3.575 -0.544 -8.274 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.021 -1.292 -8.449 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.823 -2.441 -9.775 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.327 -2.024 -9.978 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.740 -2.855 -10.638 1.00 0.00 H new ATOM 569 N LYS A 40 1.390 4.034 -6.659 1.00 0.00 N ATOM 570 CA LYS A 40 0.617 5.093 -7.295 1.00 0.00 C ATOM 571 C LYS A 40 0.526 6.318 -6.391 1.00 0.00 C ATOM 572 O LYS A 40 0.889 7.424 -6.789 1.00 0.00 O ATOM 573 CB LYS A 40 -0.788 4.593 -7.637 1.00 0.00 C ATOM 574 CG LYS A 40 -0.824 3.644 -8.823 1.00 0.00 C ATOM 575 CD LYS A 40 -2.000 2.685 -8.734 1.00 0.00 C ATOM 576 CE LYS A 40 -2.032 1.732 -9.919 1.00 0.00 C ATOM 577 NZ LYS A 40 -2.422 2.426 -11.178 1.00 0.00 N ATOM 0 H LYS A 40 0.848 3.205 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 40 1.128 5.379 -8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.207 4.089 -6.766 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.428 5.450 -7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.890 4.218 -9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.106 3.078 -8.865 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.936 2.114 -7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.931 3.251 -8.696 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.050 1.276 -10.045 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.735 0.924 -9.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.515 1.729 -11.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.331 2.911 -11.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.693 3.123 -11.431 1.00 0.00 H new ATOM 591 N ALA A 41 0.040 6.112 -5.171 1.00 0.00 N ATOM 592 CA ALA A 41 -0.096 7.199 -4.209 1.00 0.00 C ATOM 593 C ALA A 41 1.220 7.953 -4.044 1.00 0.00 C ATOM 594 O ALA A 41 1.297 9.154 -4.308 1.00 0.00 O ATOM 595 CB ALA A 41 -0.569 6.660 -2.867 1.00 0.00 C ATOM 0 H ALA A 41 -0.266 5.202 -4.826 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.840 7.898 -4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.666 7.482 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.536 6.172 -2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.156 5.939 -2.489 1.00 0.00 H new ATOM 601 N THR A 42 2.254 7.242 -3.606 1.00 0.00 N ATOM 602 CA THR A 42 3.565 7.844 -3.404 1.00 0.00 C ATOM 603 C THR A 42 3.875 8.865 -4.493 1.00 0.00 C ATOM 604 O THR A 42 4.150 10.030 -4.207 1.00 0.00 O ATOM 605 CB THR A 42 4.676 6.778 -3.385 1.00 0.00 C ATOM 606 OG1 THR A 42 4.442 5.807 -4.412 1.00 0.00 O ATOM 607 CG2 THR A 42 4.740 6.086 -2.032 1.00 0.00 C ATOM 0 H THR A 42 2.208 6.247 -3.384 1.00 0.00 H new ATOM 0 HA THR A 42 3.536 8.346 -2.437 1.00 0.00 H new ATOM 0 HB THR A 42 5.629 7.276 -3.566 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.693 5.231 -4.153 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.532 5.337 -2.043 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.948 6.823 -1.256 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.786 5.601 -1.826 1.00 0.00 H new ATOM 615 N THR A 43 3.828 8.420 -5.746 1.00 0.00 N ATOM 616 CA THR A 43 4.104 9.295 -6.878 1.00 0.00 C ATOM 617 C THR A 43 3.338 10.608 -6.758 1.00 0.00 C ATOM 618 O THR A 43 3.930 11.687 -6.781 1.00 0.00 O ATOM 619 CB THR A 43 3.736 8.619 -8.213 1.00 0.00 C ATOM 620 OG1 THR A 43 4.402 7.356 -8.322 1.00 0.00 O ATOM 621 CG2 THR A 43 4.117 9.504 -9.390 1.00 0.00 C ATOM 0 H THR A 43 3.601 7.459 -6.001 1.00 0.00 H new ATOM 0 HA THR A 43 5.174 9.500 -6.866 1.00 0.00 H new ATOM 0 HB THR A 43 2.657 8.462 -8.232 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.920 6.685 -7.795 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.848 9.006 -10.322 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.585 10.453 -9.319 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.191 9.688 -9.374 1.00 0.00 H new ATOM 629 N TYR A 44 2.020 10.508 -6.630 1.00 0.00 N ATOM 630 CA TYR A 44 1.173 11.689 -6.508 1.00 0.00 C ATOM 631 C TYR A 44 1.699 12.627 -5.426 1.00 0.00 C ATOM 632 O TYR A 44 1.840 13.831 -5.646 1.00 0.00 O ATOM 633 CB TYR A 44 -0.266 11.280 -6.189 1.00 0.00 C ATOM 634 CG TYR A 44 -1.205 12.452 -6.017 1.00 0.00 C ATOM 635 CD1 TYR A 44 -1.128 13.557 -6.856 1.00 0.00 C ATOM 636 CD2 TYR A 44 -2.169 12.455 -5.017 1.00 0.00 C ATOM 637 CE1 TYR A 44 -1.984 14.631 -6.703 1.00 0.00 C ATOM 638 CE2 TYR A 44 -3.029 13.524 -4.857 1.00 0.00 C ATOM 639 CZ TYR A 44 -2.933 14.609 -5.702 1.00 0.00 C ATOM 640 OH TYR A 44 -3.788 15.676 -5.546 1.00 0.00 O ATOM 0 H TYR A 44 1.515 9.622 -6.608 1.00 0.00 H new ATOM 0 HA TYR A 44 1.190 12.217 -7.461 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.639 10.641 -6.989 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.272 10.684 -5.276 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.387 13.577 -7.641 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.247 11.607 -4.353 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.910 15.483 -7.363 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.773 13.510 -4.074 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.941 16.102 -6.415 1.00 0.00 H new ATOM 650 N LEU A 45 1.988 12.068 -4.257 1.00 0.00 N ATOM 651 CA LEU A 45 2.499 12.853 -3.138 1.00 0.00 C ATOM 652 C LEU A 45 3.730 13.652 -3.552 1.00 0.00 C ATOM 653 O LEU A 45 3.853 14.834 -3.231 1.00 0.00 O ATOM 654 CB LEU A 45 2.842 11.937 -1.962 1.00 0.00 C ATOM 655 CG LEU A 45 1.660 11.242 -1.285 1.00 0.00 C ATOM 656 CD1 LEU A 45 2.150 10.152 -0.344 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.806 12.253 -0.534 1.00 0.00 C ATOM 0 H LEU A 45 1.877 11.074 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 45 1.721 13.552 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.535 11.172 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.370 12.525 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 45 1.045 10.778 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.295 9.668 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.719 9.413 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.787 10.593 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.030 11.741 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.410 12.745 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.425 12.998 -1.233 1.00 0.00 H new ATOM 669 N SER A 46 4.640 12.999 -4.269 1.00 0.00 N ATOM 670 CA SER A 46 5.863 13.648 -4.725 1.00 0.00 C ATOM 671 C SER A 46 5.548 14.770 -5.709 1.00 0.00 C ATOM 672 O SER A 46 6.241 15.786 -5.751 1.00 0.00 O ATOM 673 CB SER A 46 6.794 12.626 -5.381 1.00 0.00 C ATOM 674 OG SER A 46 7.073 11.551 -4.500 1.00 0.00 O ATOM 0 H SER A 46 4.553 12.021 -4.546 1.00 0.00 H new ATOM 0 HA SER A 46 6.362 14.079 -3.857 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.335 12.243 -6.293 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.725 13.112 -5.673 1.00 0.00 H new ATOM 0 HG SER A 46 6.259 11.024 -4.359 1.00 0.00 H new ATOM 680 N GLU A 47 4.496 14.578 -6.500 1.00 0.00 N ATOM 681 CA GLU A 47 4.089 15.573 -7.484 1.00 0.00 C ATOM 682 C GLU A 47 3.582 16.840 -6.800 1.00 0.00 C ATOM 683 O GLU A 47 3.680 17.936 -7.350 1.00 0.00 O ATOM 684 CB GLU A 47 3.002 15.004 -8.399 1.00 0.00 C ATOM 685 CG GLU A 47 3.493 13.888 -9.305 1.00 0.00 C ATOM 686 CD GLU A 47 2.386 13.302 -10.160 1.00 0.00 C ATOM 687 OE1 GLU A 47 2.005 13.943 -11.161 1.00 0.00 O ATOM 688 OE2 GLU A 47 1.900 12.200 -9.827 1.00 0.00 O ATOM 0 H GLU A 47 3.911 13.743 -6.478 1.00 0.00 H new ATOM 0 HA GLU A 47 4.961 15.830 -8.085 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.182 14.629 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.598 15.809 -9.014 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.283 14.271 -9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.934 13.098 -8.697 1.00 0.00 H new ATOM 695 N ALA A 48 3.040 16.679 -5.598 1.00 0.00 N ATOM 696 CA ALA A 48 2.519 17.808 -4.837 1.00 0.00 C ATOM 697 C ALA A 48 3.651 18.662 -4.278 1.00 0.00 C ATOM 698 O ALA A 48 3.729 19.860 -4.549 1.00 0.00 O ATOM 699 CB ALA A 48 1.620 17.316 -3.712 1.00 0.00 C ATOM 0 H ALA A 48 2.950 15.777 -5.130 1.00 0.00 H new ATOM 0 HA ALA A 48 1.930 18.429 -5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.238 18.169 -3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.785 16.755 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.192 16.671 -3.045 1.00 0.00 H new ATOM 705 N MET A 49 4.526 18.038 -3.496 1.00 0.00 N ATOM 706 CA MET A 49 5.654 18.743 -2.899 1.00 0.00 C ATOM 707 C MET A 49 6.537 19.367 -3.975 1.00 0.00 C ATOM 708 O MET A 49 7.255 20.334 -3.720 1.00 0.00 O ATOM 709 CB MET A 49 6.480 17.788 -2.035 1.00 0.00 C ATOM 710 CG MET A 49 6.943 16.544 -2.777 1.00 0.00 C ATOM 711 SD MET A 49 7.608 15.284 -1.673 1.00 0.00 S ATOM 712 CE MET A 49 6.336 15.232 -0.413 1.00 0.00 C ATOM 0 H MET A 49 4.476 17.047 -3.261 1.00 0.00 H new ATOM 0 HA MET A 49 5.260 19.541 -2.270 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.352 18.319 -1.653 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.887 17.487 -1.172 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.106 16.126 -3.336 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.705 16.822 -3.505 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.322 14.245 0.049 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.545 15.985 0.347 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.366 15.434 -0.867 1.00 0.00 H new ATOM 722 N LYS A 50 6.480 18.807 -5.178 1.00 0.00 N ATOM 723 CA LYS A 50 7.273 19.308 -6.294 1.00 0.00 C ATOM 724 C LYS A 50 6.728 20.642 -6.793 1.00 0.00 C ATOM 725 O LYS A 50 7.395 21.355 -7.544 1.00 0.00 O ATOM 726 CB LYS A 50 7.284 18.290 -7.437 1.00 0.00 C ATOM 727 CG LYS A 50 8.424 17.291 -7.351 1.00 0.00 C ATOM 728 CD LYS A 50 8.246 16.155 -8.344 1.00 0.00 C ATOM 729 CE LYS A 50 9.575 15.494 -8.680 1.00 0.00 C ATOM 730 NZ LYS A 50 10.218 14.900 -7.475 1.00 0.00 N ATOM 0 H LYS A 50 5.892 18.005 -5.405 1.00 0.00 H new ATOM 0 HA LYS A 50 8.293 19.461 -5.942 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.338 17.749 -7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.350 18.822 -8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.369 17.799 -7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.479 16.887 -6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.564 15.413 -7.930 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.787 16.536 -9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.416 14.717 -9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.245 16.230 -9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.058 14.358 -7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.501 15.659 -6.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.544 14.267 -6.998 1.00 0.00 H new ATOM 744 N LEU A 51 5.513 20.975 -6.371 1.00 0.00 N ATOM 745 CA LEU A 51 4.879 22.226 -6.774 1.00 0.00 C ATOM 746 C LEU A 51 4.801 23.199 -5.601 1.00 0.00 C ATOM 747 O LEU A 51 5.253 24.340 -5.696 1.00 0.00 O ATOM 748 CB LEU A 51 3.477 21.956 -7.322 1.00 0.00 C ATOM 749 CG LEU A 51 3.383 21.694 -8.825 1.00 0.00 C ATOM 750 CD1 LEU A 51 4.021 20.359 -9.176 1.00 0.00 C ATOM 751 CD2 LEU A 51 1.932 21.731 -9.283 1.00 0.00 C ATOM 0 H LEU A 51 4.947 20.396 -5.750 1.00 0.00 H new ATOM 0 HA LEU A 51 5.488 22.678 -7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.063 21.095 -6.797 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.844 22.810 -7.082 1.00 0.00 H new ATOM 0 HG LEU A 51 3.928 22.481 -9.346 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.944 20.190 -10.250 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.071 20.370 -8.885 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.505 19.559 -8.645 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.884 21.542 -10.356 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.364 20.966 -8.754 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.507 22.712 -9.068 1.00 0.00 H new ATOM 763 N THR A 52 4.225 22.739 -4.495 1.00 0.00 N ATOM 764 CA THR A 52 4.089 23.567 -3.303 1.00 0.00 C ATOM 765 C THR A 52 5.414 24.223 -2.935 1.00 0.00 C ATOM 766 O THR A 52 6.448 23.560 -2.870 1.00 0.00 O ATOM 767 CB THR A 52 3.585 22.745 -2.102 1.00 0.00 C ATOM 768 OG1 THR A 52 2.911 23.600 -1.172 1.00 0.00 O ATOM 769 CG2 THR A 52 4.739 22.039 -1.407 1.00 0.00 C ATOM 0 H THR A 52 3.845 21.797 -4.400 1.00 0.00 H new ATOM 0 HA THR A 52 3.357 24.340 -3.537 1.00 0.00 H new ATOM 0 HB THR A 52 2.889 21.991 -2.471 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.040 23.214 -0.945 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.359 21.465 -0.562 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.231 21.367 -2.110 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.456 22.778 -1.050 1.00 0.00 H new ATOM 777 N GLU A 53 5.376 25.530 -2.695 1.00 0.00 N ATOM 778 CA GLU A 53 6.576 26.275 -2.333 1.00 0.00 C ATOM 779 C GLU A 53 6.699 26.405 -0.817 1.00 0.00 C ATOM 780 O GLU A 53 7.801 26.521 -0.281 1.00 0.00 O ATOM 781 CB GLU A 53 6.554 27.664 -2.974 1.00 0.00 C ATOM 782 CG GLU A 53 7.936 28.215 -3.282 1.00 0.00 C ATOM 783 CD GLU A 53 8.894 28.072 -2.115 1.00 0.00 C ATOM 784 OE1 GLU A 53 8.872 28.940 -1.219 1.00 0.00 O ATOM 785 OE2 GLU A 53 9.666 27.090 -2.099 1.00 0.00 O ATOM 0 H GLU A 53 4.528 26.094 -2.745 1.00 0.00 H new ATOM 0 HA GLU A 53 7.440 25.725 -2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.976 27.620 -3.897 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.037 28.354 -2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.345 27.696 -4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.852 29.268 -3.551 1.00 0.00 H new ATOM 792 N SER A 54 5.560 26.386 -0.133 1.00 0.00 N ATOM 793 CA SER A 54 5.539 26.506 1.320 1.00 0.00 C ATOM 794 C SER A 54 6.231 25.314 1.974 1.00 0.00 C ATOM 795 O SER A 54 5.877 24.163 1.722 1.00 0.00 O ATOM 796 CB SER A 54 4.098 26.612 1.824 1.00 0.00 C ATOM 797 OG SER A 54 4.059 27.066 3.165 1.00 0.00 O ATOM 0 H SER A 54 4.640 26.289 -0.562 1.00 0.00 H new ATOM 0 HA SER A 54 6.080 27.413 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.537 27.297 1.188 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.612 25.639 1.752 1.00 0.00 H new ATOM 0 HG SER A 54 3.127 27.127 3.463 1.00 0.00 H new ATOM 803 N GLU A 55 7.221 25.600 2.814 1.00 0.00 N ATOM 804 CA GLU A 55 7.964 24.552 3.504 1.00 0.00 C ATOM 805 C GLU A 55 7.015 23.571 4.186 1.00 0.00 C ATOM 806 O GLU A 55 6.923 22.407 3.795 1.00 0.00 O ATOM 807 CB GLU A 55 8.912 25.163 4.537 1.00 0.00 C ATOM 808 CG GLU A 55 10.042 24.235 4.950 1.00 0.00 C ATOM 809 CD GLU A 55 10.862 24.790 6.099 1.00 0.00 C ATOM 810 OE1 GLU A 55 10.338 25.647 6.841 1.00 0.00 O ATOM 811 OE2 GLU A 55 12.026 24.367 6.256 1.00 0.00 O ATOM 0 H GLU A 55 7.527 26.548 3.033 1.00 0.00 H new ATOM 0 HA GLU A 55 8.549 24.009 2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.337 26.080 4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.340 25.442 5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.627 23.269 5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.694 24.060 4.094 1.00 0.00 H new ATOM 818 N GLN A 56 6.311 24.050 5.207 1.00 0.00 N ATOM 819 CA GLN A 56 5.370 23.215 5.944 1.00 0.00 C ATOM 820 C GLN A 56 4.634 22.265 5.005 1.00 0.00 C ATOM 821 O GLN A 56 4.669 21.048 5.186 1.00 0.00 O ATOM 822 CB GLN A 56 4.365 24.087 6.698 1.00 0.00 C ATOM 823 CG GLN A 56 4.827 24.482 8.092 1.00 0.00 C ATOM 824 CD GLN A 56 4.891 23.301 9.041 1.00 0.00 C ATOM 825 OE1 GLN A 56 3.922 22.558 9.192 1.00 0.00 O ATOM 826 NE2 GLN A 56 6.038 23.123 9.687 1.00 0.00 N ATOM 0 H GLN A 56 6.375 25.011 5.542 1.00 0.00 H new ATOM 0 HA GLN A 56 5.935 22.621 6.662 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.173 24.990 6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.419 23.552 6.776 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.812 24.945 8.027 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.148 25.232 8.497 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.816 23.764 9.531 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.141 22.345 10.339 1.00 0.00 H new ATOM 835 N ALA A 57 3.968 22.829 4.003 1.00 0.00 N ATOM 836 CA ALA A 57 3.225 22.033 3.035 1.00 0.00 C ATOM 837 C ALA A 57 4.053 20.848 2.547 1.00 0.00 C ATOM 838 O ALA A 57 3.586 19.709 2.548 1.00 0.00 O ATOM 839 CB ALA A 57 2.794 22.897 1.860 1.00 0.00 C ATOM 0 H ALA A 57 3.928 23.835 3.841 1.00 0.00 H new ATOM 0 HA ALA A 57 2.336 21.643 3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.240 22.289 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.158 23.706 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.675 23.316 1.374 1.00 0.00 H new ATOM 845 N HIS A 58 5.285 21.125 2.131 1.00 0.00 N ATOM 846 CA HIS A 58 6.178 20.081 1.641 1.00 0.00 C ATOM 847 C HIS A 58 6.491 19.073 2.741 1.00 0.00 C ATOM 848 O HIS A 58 6.711 17.891 2.471 1.00 0.00 O ATOM 849 CB HIS A 58 7.474 20.697 1.113 1.00 0.00 C ATOM 850 CG HIS A 58 8.538 19.687 0.811 1.00 0.00 C ATOM 851 ND1 HIS A 58 9.044 18.821 1.757 1.00 0.00 N ATOM 852 CD2 HIS A 58 9.190 19.405 -0.342 1.00 0.00 C ATOM 853 CE1 HIS A 58 9.963 18.052 1.200 1.00 0.00 C ATOM 854 NE2 HIS A 58 10.070 18.386 -0.073 1.00 0.00 N ATOM 0 H HIS A 58 5.687 22.062 2.123 1.00 0.00 H new ATOM 0 HA HIS A 58 5.675 19.559 0.828 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.255 21.263 0.208 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.856 21.406 1.848 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.045 19.891 -1.295 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.530 17.281 1.701 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.704 17.957 -0.747 1.00 0.00 H new ATOM 863 N LEU A 59 6.511 19.546 3.983 1.00 0.00 N ATOM 864 CA LEU A 59 6.798 18.685 5.125 1.00 0.00 C ATOM 865 C LEU A 59 5.632 17.741 5.402 1.00 0.00 C ATOM 866 O LEU A 59 5.826 16.543 5.605 1.00 0.00 O ATOM 867 CB LEU A 59 7.090 19.531 6.365 1.00 0.00 C ATOM 868 CG LEU A 59 8.526 20.038 6.509 1.00 0.00 C ATOM 869 CD1 LEU A 59 9.084 20.453 5.156 1.00 0.00 C ATOM 870 CD2 LEU A 59 8.586 21.198 7.492 1.00 0.00 C ATOM 0 H LEU A 59 6.332 20.521 4.224 1.00 0.00 H new ATOM 0 HA LEU A 59 7.677 18.086 4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.421 20.392 6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.844 18.942 7.248 1.00 0.00 H new ATOM 0 HG LEU A 59 9.140 19.226 6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.106 20.811 5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.078 19.597 4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.469 21.249 4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.615 21.546 7.582 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.958 22.013 7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.228 20.867 8.467 1.00 0.00 H new ATOM 882 N SER A 60 4.422 18.290 5.409 1.00 0.00 N ATOM 883 CA SER A 60 3.224 17.498 5.663 1.00 0.00 C ATOM 884 C SER A 60 3.151 16.305 4.714 1.00 0.00 C ATOM 885 O SER A 60 2.563 15.273 5.040 1.00 0.00 O ATOM 886 CB SER A 60 1.972 18.364 5.510 1.00 0.00 C ATOM 887 OG SER A 60 1.659 18.570 4.143 1.00 0.00 O ATOM 0 H SER A 60 4.245 19.280 5.242 1.00 0.00 H new ATOM 0 HA SER A 60 3.275 17.124 6.686 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.131 17.885 6.011 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.129 19.325 5.999 1.00 0.00 H new ATOM 0 HG SER A 60 2.425 18.981 3.690 1.00 0.00 H new ATOM 893 N LEU A 61 3.752 16.455 3.539 1.00 0.00 N ATOM 894 CA LEU A 61 3.755 15.391 2.541 1.00 0.00 C ATOM 895 C LEU A 61 4.978 14.494 2.705 1.00 0.00 C ATOM 896 O LEU A 61 4.852 13.290 2.925 1.00 0.00 O ATOM 897 CB LEU A 61 3.731 15.986 1.132 1.00 0.00 C ATOM 898 CG LEU A 61 2.696 17.084 0.885 1.00 0.00 C ATOM 899 CD1 LEU A 61 3.179 18.039 -0.196 1.00 0.00 C ATOM 900 CD2 LEU A 61 1.354 16.477 0.503 1.00 0.00 C ATOM 0 H LEU A 61 4.243 17.302 3.254 1.00 0.00 H new ATOM 0 HA LEU A 61 2.861 14.786 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.719 16.390 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.552 15.179 0.421 1.00 0.00 H new ATOM 0 HG LEU A 61 2.566 17.649 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.430 18.814 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.116 18.500 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.338 17.488 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.630 17.274 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.467 15.887 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.002 15.835 1.310 1.00 0.00 H new ATOM 912 N GLU A 62 6.162 15.091 2.599 1.00 0.00 N ATOM 913 CA GLU A 62 7.407 14.345 2.738 1.00 0.00 C ATOM 914 C GLU A 62 7.289 13.286 3.830 1.00 0.00 C ATOM 915 O GLU A 62 7.853 12.197 3.718 1.00 0.00 O ATOM 916 CB GLU A 62 8.563 15.295 3.056 1.00 0.00 C ATOM 917 CG GLU A 62 8.754 15.545 4.543 1.00 0.00 C ATOM 918 CD GLU A 62 10.012 16.336 4.845 1.00 0.00 C ATOM 919 OE1 GLU A 62 10.998 16.191 4.092 1.00 0.00 O ATOM 920 OE2 GLU A 62 10.011 17.098 5.834 1.00 0.00 O ATOM 0 H GLU A 62 6.284 16.087 2.418 1.00 0.00 H new ATOM 0 HA GLU A 62 7.608 13.844 1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.484 14.883 2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.388 16.247 2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.889 16.083 4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.796 14.589 5.066 1.00 0.00 H new ATOM 927 N LEU A 63 6.553 13.614 4.886 1.00 0.00 N ATOM 928 CA LEU A 63 6.360 12.693 6.001 1.00 0.00 C ATOM 929 C LEU A 63 5.366 11.596 5.634 1.00 0.00 C ATOM 930 O LEU A 63 5.606 10.416 5.892 1.00 0.00 O ATOM 931 CB LEU A 63 5.869 13.450 7.236 1.00 0.00 C ATOM 932 CG LEU A 63 6.913 14.300 7.961 1.00 0.00 C ATOM 933 CD1 LEU A 63 6.238 15.301 8.885 1.00 0.00 C ATOM 934 CD2 LEU A 63 7.873 13.414 8.741 1.00 0.00 C ATOM 0 H LEU A 63 6.080 14.511 4.994 1.00 0.00 H new ATOM 0 HA LEU A 63 7.320 12.228 6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.046 14.099 6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.464 12.727 7.943 1.00 0.00 H new ATOM 0 HG LEU A 63 7.485 14.853 7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.997 15.897 9.392 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.592 15.957 8.301 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.641 14.768 9.625 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.609 14.036 9.251 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.316 12.834 9.477 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.382 12.737 8.055 1.00 0.00 H new ATOM 946 N GLN A 64 4.251 11.993 5.030 1.00 0.00 N ATOM 947 CA GLN A 64 3.221 11.042 4.626 1.00 0.00 C ATOM 948 C GLN A 64 3.811 9.936 3.757 1.00 0.00 C ATOM 949 O GLN A 64 3.504 8.759 3.941 1.00 0.00 O ATOM 950 CB GLN A 64 2.103 11.760 3.869 1.00 0.00 C ATOM 951 CG GLN A 64 0.759 11.057 3.957 1.00 0.00 C ATOM 952 CD GLN A 64 0.082 11.258 5.299 1.00 0.00 C ATOM 953 OE1 GLN A 64 0.685 11.773 6.240 1.00 0.00 O ATOM 954 NE2 GLN A 64 -1.178 10.850 5.393 1.00 0.00 N ATOM 0 H GLN A 64 4.037 12.966 4.809 1.00 0.00 H new ATOM 0 HA GLN A 64 2.807 10.589 5.527 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.001 12.771 4.262 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.387 11.853 2.821 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.107 11.428 3.166 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.899 9.990 3.781 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.639 10.428 4.587 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.685 10.958 6.271 1.00 0.00 H new ATOM 963 N ARG A 65 4.660 10.324 2.811 1.00 0.00 N ATOM 964 CA ARG A 65 5.292 9.365 1.912 1.00 0.00 C ATOM 965 C ARG A 65 6.008 8.272 2.700 1.00 0.00 C ATOM 966 O ARG A 65 5.883 7.087 2.391 1.00 0.00 O ATOM 967 CB ARG A 65 6.283 10.076 0.989 1.00 0.00 C ATOM 968 CG ARG A 65 6.564 9.320 -0.300 1.00 0.00 C ATOM 969 CD ARG A 65 7.481 10.111 -1.220 1.00 0.00 C ATOM 970 NE ARG A 65 8.863 10.109 -0.749 1.00 0.00 N ATOM 971 CZ ARG A 65 9.334 10.966 0.150 1.00 0.00 C ATOM 972 NH1 ARG A 65 8.538 11.888 0.672 1.00 0.00 N ATOM 973 NH2 ARG A 65 10.605 10.900 0.529 1.00 0.00 N ATOM 0 H ARG A 65 4.926 11.295 2.647 1.00 0.00 H new ATOM 0 HA ARG A 65 4.512 8.902 1.308 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.893 11.064 0.743 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.221 10.227 1.524 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.022 8.359 -0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.625 9.110 -0.812 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.440 9.688 -2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.124 11.138 -1.292 1.00 0.00 H new ATOM 0 HE ARG A 65 9.502 9.411 -1.131 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.561 11.941 0.384 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.902 12.545 1.362 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.220 10.191 0.130 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.966 11.558 1.219 1.00 0.00 H new ATOM 987 N ASP A 66 6.758 8.679 3.718 1.00 0.00 N ATOM 988 CA ASP A 66 7.494 7.734 4.551 1.00 0.00 C ATOM 989 C ASP A 66 6.717 6.431 4.712 1.00 0.00 C ATOM 990 O ASP A 66 7.099 5.398 4.163 1.00 0.00 O ATOM 991 CB ASP A 66 7.777 8.346 5.924 1.00 0.00 C ATOM 992 CG ASP A 66 8.582 7.420 6.815 1.00 0.00 C ATOM 993 OD1 ASP A 66 8.279 6.209 6.840 1.00 0.00 O ATOM 994 OD2 ASP A 66 9.515 7.907 7.487 1.00 0.00 O ATOM 0 H ASP A 66 6.873 9.656 3.987 1.00 0.00 H new ATOM 0 HA ASP A 66 8.440 7.513 4.057 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.318 9.284 5.796 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.833 8.587 6.413 1.00 0.00 H new ATOM 999 N SER A 67 5.625 6.488 5.468 1.00 0.00 N ATOM 1000 CA SER A 67 4.797 5.312 5.705 1.00 0.00 C ATOM 1001 C SER A 67 4.389 4.660 4.387 1.00 0.00 C ATOM 1002 O SER A 67 4.665 3.483 4.152 1.00 0.00 O ATOM 1003 CB SER A 67 3.550 5.693 6.506 1.00 0.00 C ATOM 1004 OG SER A 67 2.813 6.709 5.849 1.00 0.00 O ATOM 0 H SER A 67 5.293 7.336 5.927 1.00 0.00 H new ATOM 0 HA SER A 67 5.384 4.595 6.279 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.920 4.814 6.644 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.842 6.035 7.499 1.00 0.00 H new ATOM 0 HG SER A 67 2.020 6.934 6.380 1.00 0.00 H new ATOM 1010 N HIS A 68 3.731 5.434 3.530 1.00 0.00 N ATOM 1011 CA HIS A 68 3.285 4.933 2.235 1.00 0.00 C ATOM 1012 C HIS A 68 4.319 3.986 1.634 1.00 0.00 C ATOM 1013 O HIS A 68 3.979 3.092 0.859 1.00 0.00 O ATOM 1014 CB HIS A 68 3.024 6.096 1.277 1.00 0.00 C ATOM 1015 CG HIS A 68 1.713 6.782 1.510 1.00 0.00 C ATOM 1016 ND1 HIS A 68 1.424 8.084 1.741 1.00 0.00 N flip ATOM 1017 CD2 HIS A 68 0.507 6.114 1.525 1.00 0.00 C flip ATOM 1018 CE1 HIS A 68 0.062 8.178 1.888 1.00 0.00 C flip ATOM 1019 NE2 HIS A 68 -0.468 6.976 1.753 1.00 0.00 N flip ATOM 0 H HIS A 68 3.495 6.410 3.709 1.00 0.00 H new ATOM 0 HA HIS A 68 2.357 4.381 2.386 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.829 6.825 1.376 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.054 5.725 0.252 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.379 5.052 1.374 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.487 9.088 2.083 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.461 6.751 1.814 1.00 0.00 H new ATOM 1028 N MET A 69 5.582 4.189 1.995 1.00 0.00 N ATOM 1029 CA MET A 69 6.664 3.352 1.491 1.00 0.00 C ATOM 1030 C MET A 69 7.011 2.251 2.489 1.00 0.00 C ATOM 1031 O MET A 69 7.249 1.105 2.108 1.00 0.00 O ATOM 1032 CB MET A 69 7.903 4.202 1.202 1.00 0.00 C ATOM 1033 CG MET A 69 7.872 4.878 -0.160 1.00 0.00 C ATOM 1034 SD MET A 69 7.765 3.697 -1.518 1.00 0.00 S ATOM 1035 CE MET A 69 9.207 2.683 -1.201 1.00 0.00 C ATOM 0 H MET A 69 5.881 4.925 2.634 1.00 0.00 H new ATOM 0 HA MET A 69 6.327 2.886 0.565 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.999 4.965 1.975 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.789 3.571 1.265 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.020 5.556 -0.205 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.769 5.485 -0.281 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.411 2.059 -2.071 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.066 3.324 -1.004 1.00 0.00 H new ATOM 0 HE3 MET A 69 9.022 2.048 -0.335 1.00 0.00 H new ATOM 1045 N LYS A 70 7.037 2.607 3.769 1.00 0.00 N ATOM 1046 CA LYS A 70 7.353 1.650 4.823 1.00 0.00 C ATOM 1047 C LYS A 70 6.488 0.400 4.700 1.00 0.00 C ATOM 1048 O LYS A 70 6.955 -0.714 4.936 1.00 0.00 O ATOM 1049 CB LYS A 70 7.151 2.290 6.198 1.00 0.00 C ATOM 1050 CG LYS A 70 5.753 2.098 6.759 1.00 0.00 C ATOM 1051 CD LYS A 70 5.649 2.609 8.186 1.00 0.00 C ATOM 1052 CE LYS A 70 4.342 2.184 8.837 1.00 0.00 C ATOM 1053 NZ LYS A 70 4.226 2.690 10.232 1.00 0.00 N ATOM 0 H LYS A 70 6.843 3.552 4.102 1.00 0.00 H new ATOM 0 HA LYS A 70 8.398 1.359 4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.874 1.868 6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.362 3.357 6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.033 2.622 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.491 1.040 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.488 2.231 8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.722 3.697 8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.505 2.555 8.246 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.274 1.096 8.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.322 2.379 10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.011 2.316 10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.265 3.729 10.229 1.00 0.00 H new ATOM 1067 N GLN A 71 5.227 0.593 4.327 1.00 0.00 N ATOM 1068 CA GLN A 71 4.298 -0.521 4.172 1.00 0.00 C ATOM 1069 C GLN A 71 4.594 -1.303 2.897 1.00 0.00 C ATOM 1070 O GLN A 71 4.455 -2.526 2.860 1.00 0.00 O ATOM 1071 CB GLN A 71 2.857 -0.010 4.149 1.00 0.00 C ATOM 1072 CG GLN A 71 2.229 0.104 5.529 1.00 0.00 C ATOM 1073 CD GLN A 71 1.920 -1.247 6.143 1.00 0.00 C ATOM 1074 OE1 GLN A 71 1.442 -2.156 5.464 1.00 0.00 O ATOM 1075 NE2 GLN A 71 2.193 -1.387 7.435 1.00 0.00 N ATOM 0 H GLN A 71 4.825 1.509 4.127 1.00 0.00 H new ATOM 0 HA GLN A 71 4.425 -1.190 5.023 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.835 0.967 3.667 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.252 -0.680 3.538 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.904 0.652 6.187 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.310 0.686 5.459 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.589 -0.607 7.960 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.007 -2.274 7.902 1.00 0.00 H new ATOM 1084 N LEU A 72 5.001 -0.590 1.853 1.00 0.00 N ATOM 1085 CA LEU A 72 5.316 -1.217 0.574 1.00 0.00 C ATOM 1086 C LEU A 72 6.425 -2.252 0.734 1.00 0.00 C ATOM 1087 O LEU A 72 6.355 -3.345 0.170 1.00 0.00 O ATOM 1088 CB LEU A 72 5.734 -0.157 -0.447 1.00 0.00 C ATOM 1089 CG LEU A 72 6.409 -0.678 -1.717 1.00 0.00 C ATOM 1090 CD1 LEU A 72 5.564 -1.766 -2.362 1.00 0.00 C ATOM 1091 CD2 LEU A 72 6.654 0.461 -2.696 1.00 0.00 C ATOM 0 H LEU A 72 5.121 0.423 1.867 1.00 0.00 H new ATOM 0 HA LEU A 72 4.420 -1.724 0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.849 0.409 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.414 0.541 0.041 1.00 0.00 H new ATOM 0 HG LEU A 72 7.372 -1.109 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.060 -2.125 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.440 -2.593 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.586 -1.361 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.135 0.072 -3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.703 0.921 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.300 1.207 -2.232 1.00 0.00 H new ATOM 1103 N LEU A 73 7.446 -1.902 1.507 1.00 0.00 N ATOM 1104 CA LEU A 73 8.570 -2.801 1.743 1.00 0.00 C ATOM 1105 C LEU A 73 8.184 -3.912 2.715 1.00 0.00 C ATOM 1106 O LEU A 73 8.710 -5.024 2.644 1.00 0.00 O ATOM 1107 CB LEU A 73 9.766 -2.022 2.293 1.00 0.00 C ATOM 1108 CG LEU A 73 9.995 -0.633 1.694 1.00 0.00 C ATOM 1109 CD1 LEU A 73 11.242 0.005 2.286 1.00 0.00 C ATOM 1110 CD2 LEU A 73 10.105 -0.718 0.178 1.00 0.00 C ATOM 0 H LEU A 73 7.519 -1.002 1.981 1.00 0.00 H new ATOM 0 HA LEU A 73 8.846 -3.254 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.640 -1.915 3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.666 -2.617 2.135 1.00 0.00 H new ATOM 0 HG LEU A 73 9.139 -0.006 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.389 0.992 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.124 0.101 3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.108 -0.620 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.268 0.279 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.943 -1.362 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.183 -1.132 -0.231 1.00 0.00 H new ATOM 1122 N LEU A 74 7.260 -3.605 3.619 1.00 0.00 N ATOM 1123 CA LEU A 74 6.800 -4.579 4.603 1.00 0.00 C ATOM 1124 C LEU A 74 5.851 -5.589 3.968 1.00 0.00 C ATOM 1125 O LEU A 74 5.810 -6.753 4.367 1.00 0.00 O ATOM 1126 CB LEU A 74 6.104 -3.868 5.765 1.00 0.00 C ATOM 1127 CG LEU A 74 7.015 -3.351 6.879 1.00 0.00 C ATOM 1128 CD1 LEU A 74 6.240 -2.449 7.827 1.00 0.00 C ATOM 1129 CD2 LEU A 74 7.642 -4.512 7.637 1.00 0.00 C ATOM 0 H LEU A 74 6.815 -2.690 3.691 1.00 0.00 H new ATOM 0 HA LEU A 74 7.670 -5.115 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.540 -3.026 5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.381 -4.555 6.204 1.00 0.00 H new ATOM 0 HG LEU A 74 7.815 -2.765 6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.905 -2.091 8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.840 -1.599 7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.419 -3.010 8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.287 -4.125 8.426 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.856 -5.125 8.079 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.232 -5.118 6.950 1.00 0.00 H new ATOM 1141 N ILE A 75 5.091 -5.137 2.976 1.00 0.00 N ATOM 1142 CA ILE A 75 4.144 -6.002 2.284 1.00 0.00 C ATOM 1143 C ILE A 75 4.860 -6.928 1.306 1.00 0.00 C ATOM 1144 O ILE A 75 4.581 -8.126 1.253 1.00 0.00 O ATOM 1145 CB ILE A 75 3.088 -5.183 1.518 1.00 0.00 C ATOM 1146 CG1 ILE A 75 2.178 -4.441 2.499 1.00 0.00 C ATOM 1147 CG2 ILE A 75 2.271 -6.090 0.610 1.00 0.00 C ATOM 1148 CD1 ILE A 75 1.364 -3.341 1.853 1.00 0.00 C ATOM 0 H ILE A 75 5.113 -4.176 2.634 1.00 0.00 H new ATOM 0 HA ILE A 75 3.645 -6.598 3.048 1.00 0.00 H new ATOM 0 HB ILE A 75 3.599 -4.447 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.501 -5.156 2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.788 -4.012 3.294 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.529 -5.497 0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.931 -6.577 -0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.766 -6.847 1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.742 -2.858 2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.034 -2.605 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.728 -3.767 1.077 1.00 0.00 H new ATOM 1160 N GLN A 76 5.785 -6.365 0.536 1.00 0.00 N ATOM 1161 CA GLN A 76 6.542 -7.141 -0.440 1.00 0.00 C ATOM 1162 C GLN A 76 7.188 -8.357 0.216 1.00 0.00 C ATOM 1163 O GLN A 76 7.213 -9.444 -0.361 1.00 0.00 O ATOM 1164 CB GLN A 76 7.615 -6.269 -1.094 1.00 0.00 C ATOM 1165 CG GLN A 76 7.083 -5.382 -2.208 1.00 0.00 C ATOM 1166 CD GLN A 76 8.188 -4.774 -3.049 1.00 0.00 C ATOM 1167 OE1 GLN A 76 8.656 -5.382 -4.012 1.00 0.00 O ATOM 1168 NE2 GLN A 76 8.611 -3.568 -2.689 1.00 0.00 N ATOM 0 H GLN A 76 6.029 -5.375 0.569 1.00 0.00 H new ATOM 0 HA GLN A 76 5.850 -7.489 -1.207 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.077 -5.642 -0.331 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.399 -6.912 -1.495 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.424 -5.967 -2.849 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.480 -4.584 -1.775 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.194 -3.101 -1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.353 -3.109 -3.218 1.00 0.00 H new ATOM 1177 N GLU A 77 7.710 -8.165 1.423 1.00 0.00 N ATOM 1178 CA GLU A 77 8.358 -9.248 2.155 1.00 0.00 C ATOM 1179 C GLU A 77 7.326 -10.240 2.685 1.00 0.00 C ATOM 1180 O GLU A 77 7.547 -11.451 2.666 1.00 0.00 O ATOM 1181 CB GLU A 77 9.183 -8.686 3.315 1.00 0.00 C ATOM 1182 CG GLU A 77 8.374 -7.843 4.286 1.00 0.00 C ATOM 1183 CD GLU A 77 9.217 -7.287 5.418 1.00 0.00 C ATOM 1184 OE1 GLU A 77 10.042 -6.387 5.157 1.00 0.00 O ATOM 1185 OE2 GLU A 77 9.050 -7.752 6.565 1.00 0.00 O ATOM 0 H GLU A 77 7.697 -7.271 1.915 1.00 0.00 H new ATOM 0 HA GLU A 77 9.021 -9.772 1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.640 -9.513 3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.996 -8.081 2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.909 -7.019 3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.567 -8.447 4.701 1.00 0.00 H new ATOM 1192 N ARG A 78 6.199 -9.717 3.157 1.00 0.00 N ATOM 1193 CA ARG A 78 5.134 -10.555 3.693 1.00 0.00 C ATOM 1194 C ARG A 78 4.564 -11.468 2.612 1.00 0.00 C ATOM 1195 O ARG A 78 3.998 -12.521 2.909 1.00 0.00 O ATOM 1196 CB ARG A 78 4.020 -9.687 4.282 1.00 0.00 C ATOM 1197 CG ARG A 78 4.399 -9.017 5.593 1.00 0.00 C ATOM 1198 CD ARG A 78 4.384 -10.006 6.749 1.00 0.00 C ATOM 1199 NE ARG A 78 3.061 -10.118 7.356 1.00 0.00 N ATOM 1200 CZ ARG A 78 2.463 -9.123 8.003 1.00 0.00 C ATOM 1201 NH1 ARG A 78 3.066 -7.949 8.124 1.00 0.00 N ATOM 1202 NH2 ARG A 78 1.258 -9.302 8.529 1.00 0.00 N ATOM 0 H ARG A 78 6.000 -8.717 3.179 1.00 0.00 H new ATOM 0 HA ARG A 78 5.557 -11.176 4.483 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.747 -8.920 3.557 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.136 -10.304 4.441 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.391 -8.575 5.504 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.705 -8.202 5.801 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.703 -10.985 6.392 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.104 -9.692 7.504 1.00 0.00 H new ATOM 0 HE ARG A 78 2.569 -11.008 7.279 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.992 -7.807 7.720 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.604 -7.187 8.621 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.790 -10.204 8.437 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.800 -8.538 9.025 1.00 0.00 H new ATOM 1216 N TRP A 79 4.716 -11.058 1.358 1.00 0.00 N ATOM 1217 CA TRP A 79 4.216 -11.839 0.232 1.00 0.00 C ATOM 1218 C TRP A 79 5.153 -12.999 -0.084 1.00 0.00 C ATOM 1219 O TRP A 79 4.778 -14.165 0.042 1.00 0.00 O ATOM 1220 CB TRP A 79 4.052 -10.948 -1.000 1.00 0.00 C ATOM 1221 CG TRP A 79 3.286 -11.603 -2.109 1.00 0.00 C ATOM 1222 CD1 TRP A 79 2.419 -12.652 -1.998 1.00 0.00 C ATOM 1223 CD2 TRP A 79 3.319 -11.253 -3.497 1.00 0.00 C ATOM 1224 NE1 TRP A 79 1.912 -12.976 -3.233 1.00 0.00 N ATOM 1225 CE2 TRP A 79 2.448 -12.132 -4.169 1.00 0.00 C ATOM 1226 CE3 TRP A 79 3.999 -10.282 -4.237 1.00 0.00 C ATOM 1227 CZ2 TRP A 79 2.241 -12.067 -5.545 1.00 0.00 C ATOM 1228 CZ3 TRP A 79 3.793 -10.219 -5.602 1.00 0.00 C ATOM 1229 CH2 TRP A 79 2.919 -11.106 -6.244 1.00 0.00 C ATOM 0 H TRP A 79 5.181 -10.189 1.095 1.00 0.00 H new ATOM 0 HA TRP A 79 3.244 -12.247 0.508 1.00 0.00 H new ATOM 0 HB2 TRP A 79 3.543 -10.029 -0.710 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.038 -10.664 -1.368 1.00 0.00 H new ATOM 0 HD1 TRP A 79 2.169 -13.153 -1.075 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.245 -13.724 -3.422 1.00 0.00 H new ATOM 0 HE3 TRP A 79 4.674 -9.593 -3.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.569 -12.751 -6.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.315 -9.473 -6.184 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.778 -11.030 -7.312 1.00 0.00 H new ATOM 1240 N LYS A 80 6.373 -12.673 -0.497 1.00 0.00 N ATOM 1241 CA LYS A 80 7.365 -13.688 -0.830 1.00 0.00 C ATOM 1242 C LYS A 80 7.387 -14.793 0.220 1.00 0.00 C ATOM 1243 O LYS A 80 7.801 -15.919 -0.058 1.00 0.00 O ATOM 1244 CB LYS A 80 8.753 -13.054 -0.949 1.00 0.00 C ATOM 1245 CG LYS A 80 9.367 -12.679 0.389 1.00 0.00 C ATOM 1246 CD LYS A 80 10.848 -12.369 0.256 1.00 0.00 C ATOM 1247 CE LYS A 80 11.432 -11.863 1.566 1.00 0.00 C ATOM 1248 NZ LYS A 80 11.747 -12.979 2.500 1.00 0.00 N ATOM 0 H LYS A 80 6.699 -11.713 -0.609 1.00 0.00 H new ATOM 0 HA LYS A 80 7.090 -14.128 -1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.418 -13.749 -1.462 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.683 -12.161 -1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.848 -11.812 0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.228 -13.497 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.382 -13.266 -0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.996 -11.620 -0.522 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.338 -11.292 1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.725 -11.181 2.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.143 -12.593 3.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.878 -13.509 2.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.441 -13.616 2.059 1.00 0.00 H new ATOM 1262 N ARG A 81 6.939 -14.465 1.428 1.00 0.00 N ATOM 1263 CA ARG A 81 6.907 -15.430 2.520 1.00 0.00 C ATOM 1264 C ARG A 81 5.664 -16.310 2.432 1.00 0.00 C ATOM 1265 O ARG A 81 5.753 -17.536 2.491 1.00 0.00 O ATOM 1266 CB ARG A 81 6.940 -14.709 3.868 1.00 0.00 C ATOM 1267 CG ARG A 81 8.307 -14.148 4.226 1.00 0.00 C ATOM 1268 CD ARG A 81 8.249 -13.302 5.488 1.00 0.00 C ATOM 1269 NE ARG A 81 8.353 -14.115 6.697 1.00 0.00 N ATOM 1270 CZ ARG A 81 8.377 -13.607 7.924 1.00 0.00 C ATOM 1271 NH1 ARG A 81 8.305 -12.295 8.104 1.00 0.00 N ATOM 1272 NH2 ARG A 81 8.474 -14.411 8.975 1.00 0.00 N ATOM 0 H ARG A 81 6.593 -13.538 1.675 1.00 0.00 H new ATOM 0 HA ARG A 81 7.788 -16.066 2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.215 -13.895 3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.625 -15.402 4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.012 -14.967 4.368 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.682 -13.545 3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.057 -12.571 5.472 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.314 -12.742 5.507 1.00 0.00 H new ATOM 0 HE ARG A 81 8.410 -15.128 6.593 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.231 -11.673 7.299 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.324 -11.908 9.048 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.530 -15.421 8.841 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.492 -14.019 9.917 1.00 0.00 H new