USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 568 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 44 THR OG1 : rot 176:sc= 0.188 USER MOD Set 1.2: A 57 THR OG1 : rot -42:sc= 0.0238 USER MOD Set 1.3: A 73 TYR OH : rot 180:sc= 0.134 USER MOD Set 2.1: A 33 LYS NZ :NH3+ -159:sc= 1.18 (180deg=0.389) USER MOD Set 2.2: A 51 THR OG1 : rot 155:sc= 0 USER MOD Set 2.3: A 52 ASN : amide:sc= -0.447 X(o=0.82,f=0.57) USER MOD Set 2.4: A 54 TYR OH : rot -127:sc= 0.0862 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.349 F(o=-1.4,f=-0.35) USER MOD Single : A 16 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.783 F(o=-1.4,f=-0.78) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0814 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 147:sc= -2.83! USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 166:sc= -0.0386 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -29:sc= 0.929 USER MOD Single : A 39 CYS SG : rot 171:sc= -2.5 USER MOD Single : A 40 LYS NZ :NH3+ -159:sc= 0.952 (180deg=0.672) USER MOD Single : A 43 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.022) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot -60:sc= -3.64! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -170:sc= -0.741 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N ALA A 5 5.003 -9.533 8.292 1.00 0.00 N ATOM 62 CA ALA A 5 3.864 -9.751 7.419 1.00 0.00 C ATOM 63 C ALA A 5 3.712 -8.598 6.433 1.00 0.00 C ATOM 64 O ALA A 5 3.634 -8.778 5.228 1.00 0.00 O ATOM 65 CB ALA A 5 2.704 -9.834 8.401 1.00 0.00 C ATOM 0 HA ALA A 5 3.944 -10.640 6.793 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.776 -9.999 7.854 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.871 -10.661 9.092 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.634 -8.902 8.961 1.00 0.00 H new ATOM 71 N VAL A 6 3.782 -7.405 7.012 1.00 0.00 N ATOM 72 CA VAL A 6 4.003 -6.108 6.397 1.00 0.00 C ATOM 73 C VAL A 6 5.281 -6.120 5.547 1.00 0.00 C ATOM 74 O VAL A 6 5.296 -5.494 4.498 1.00 0.00 O ATOM 75 CB VAL A 6 4.096 -5.054 7.529 1.00 0.00 C ATOM 76 CG1 VAL A 6 4.427 -3.669 6.982 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.773 -4.966 8.321 1.00 0.00 C ATOM 0 H VAL A 6 3.674 -7.317 8.022 1.00 0.00 H new ATOM 0 HA VAL A 6 3.178 -5.862 5.728 1.00 0.00 H new ATOM 0 HB VAL A 6 4.899 -5.381 8.190 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.484 -2.957 7.805 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.385 -3.702 6.464 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.649 -3.357 6.286 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.869 -4.218 9.108 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.964 -4.682 7.648 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.551 -5.936 8.767 1.00 0.00 H new ATOM 87 N GLN A 7 6.328 -6.853 5.936 1.00 0.00 N ATOM 88 CA GLN A 7 7.631 -6.839 5.264 1.00 0.00 C ATOM 89 C GLN A 7 7.708 -7.748 4.050 1.00 0.00 C ATOM 90 O GLN A 7 8.058 -7.283 2.975 1.00 0.00 O ATOM 91 CB GLN A 7 8.728 -7.045 6.342 1.00 0.00 C ATOM 92 CG GLN A 7 9.490 -5.743 6.604 1.00 0.00 C ATOM 93 CD GLN A 7 8.451 -4.692 6.942 1.00 0.00 C ATOM 94 OE1 GLN A 7 8.102 -3.872 5.979 1.00 0.00 O flip ATOM 95 NE2 GLN A 7 7.791 -4.756 7.967 1.00 0.00 N flip ATOM 0 H GLN A 7 6.294 -7.482 6.738 1.00 0.00 H new ATOM 0 HA GLN A 7 7.803 -5.868 4.800 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.272 -7.396 7.268 1.00 0.00 H new ATOM 0 HB3 GLN A 7 9.423 -7.818 6.015 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.197 -5.866 7.424 1.00 0.00 H new ATOM 0 HG3 GLN A 7 10.067 -5.449 5.727 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.067 -5.395 8.712 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.963 -4.170 8.078 1.00 0.00 H new ATOM 104 N ASP A 8 7.288 -9.001 4.192 1.00 0.00 N ATOM 105 CA ASP A 8 7.035 -9.983 3.119 1.00 0.00 C ATOM 106 C ASP A 8 6.051 -9.410 2.090 1.00 0.00 C ATOM 107 O ASP A 8 6.423 -9.320 0.921 1.00 0.00 O ATOM 108 CB ASP A 8 6.462 -11.298 3.721 1.00 0.00 C ATOM 109 CG ASP A 8 5.836 -12.230 2.643 1.00 0.00 C ATOM 110 OD1 ASP A 8 6.618 -12.974 1.969 1.00 0.00 O ATOM 111 OD2 ASP A 8 4.609 -12.240 2.450 1.00 0.00 O1- ATOM 0 H ASP A 8 7.100 -9.392 5.115 1.00 0.00 H new ATOM 0 HA ASP A 8 7.979 -10.201 2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.258 -11.832 4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.706 -11.052 4.466 1.00 0.00 H new ATOM 116 N PHE A 9 4.882 -8.935 2.544 1.00 0.00 N ATOM 117 CA PHE A 9 3.909 -8.302 1.679 1.00 0.00 C ATOM 118 C PHE A 9 4.546 -7.114 0.953 1.00 0.00 C ATOM 119 O PHE A 9 4.453 -7.041 -0.267 1.00 0.00 O ATOM 120 CB PHE A 9 2.672 -7.846 2.469 1.00 0.00 C ATOM 121 CG PHE A 9 1.723 -7.171 1.516 1.00 0.00 C ATOM 122 CD1 PHE A 9 1.833 -5.787 1.354 1.00 0.00 C ATOM 123 CD2 PHE A 9 0.957 -7.921 0.604 1.00 0.00 C ATOM 124 CE1 PHE A 9 1.202 -5.161 0.274 1.00 0.00 C ATOM 125 CE2 PHE A 9 0.296 -7.272 -0.465 1.00 0.00 C ATOM 126 CZ PHE A 9 0.401 -5.888 -0.613 1.00 0.00 C ATOM 0 H PHE A 9 4.596 -8.985 3.522 1.00 0.00 H new ATOM 0 HA PHE A 9 3.582 -9.036 0.943 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.189 -8.700 2.944 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.962 -7.160 3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.404 -5.203 2.061 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.874 -8.991 0.720 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.335 -4.100 0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.290 -7.847 -1.167 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.131 -5.383 -1.405 1.00 0.00 H new ATOM 136 N VAL A 10 5.153 -6.164 1.680 1.00 0.00 N ATOM 137 CA VAL A 10 5.800 -5.001 1.032 1.00 0.00 C ATOM 138 C VAL A 10 6.831 -5.450 -0.007 1.00 0.00 C ATOM 139 O VAL A 10 6.742 -5.004 -1.148 1.00 0.00 O ATOM 140 CB VAL A 10 6.417 -4.000 2.037 1.00 0.00 C ATOM 141 CG1 VAL A 10 7.428 -3.009 1.422 1.00 0.00 C ATOM 142 CG2 VAL A 10 5.308 -3.146 2.678 1.00 0.00 C ATOM 0 H VAL A 10 5.212 -6.171 2.698 1.00 0.00 H new ATOM 0 HA VAL A 10 5.004 -4.460 0.520 1.00 0.00 H new ATOM 0 HB VAL A 10 6.945 -4.626 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.808 -2.347 2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.257 -3.562 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.934 -2.417 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.752 -2.444 3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.779 -2.594 1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.607 -3.795 3.203 1.00 0.00 H new ATOM 152 N VAL A 11 7.722 -6.379 0.352 1.00 0.00 N ATOM 153 CA VAL A 11 8.743 -6.965 -0.550 1.00 0.00 C ATOM 154 C VAL A 11 8.148 -7.651 -1.790 1.00 0.00 C ATOM 155 O VAL A 11 8.809 -7.730 -2.823 1.00 0.00 O ATOM 156 CB VAL A 11 9.643 -7.937 0.256 1.00 0.00 C ATOM 157 CG1 VAL A 11 10.496 -8.910 -0.578 1.00 0.00 C ATOM 158 CG2 VAL A 11 10.608 -7.109 1.120 1.00 0.00 C ATOM 0 H VAL A 11 7.762 -6.760 1.298 1.00 0.00 H new ATOM 0 HA VAL A 11 9.343 -6.143 -0.939 1.00 0.00 H new ATOM 0 HB VAL A 11 8.950 -8.551 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.084 -9.541 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.844 -9.535 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.165 -8.344 -1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.249 -7.779 1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.224 -6.480 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.037 -6.480 1.803 1.00 0.00 H new ATOM 168 N ASP A 12 6.899 -8.125 -1.732 1.00 0.00 N ATOM 169 CA ASP A 12 6.214 -8.781 -2.851 1.00 0.00 C ATOM 170 C ASP A 12 5.932 -7.794 -4.000 1.00 0.00 C ATOM 171 O ASP A 12 6.216 -8.097 -5.150 1.00 0.00 O ATOM 172 CB ASP A 12 4.918 -9.432 -2.334 1.00 0.00 C ATOM 173 CG ASP A 12 4.717 -10.910 -2.687 1.00 0.00 C ATOM 174 OD1 ASP A 12 5.623 -11.600 -3.200 1.00 0.00 O ATOM 175 OD2 ASP A 12 3.604 -11.391 -2.364 1.00 0.00 O1- ATOM 0 H ASP A 12 6.325 -8.062 -0.891 1.00 0.00 H new ATOM 0 HA ASP A 12 6.863 -9.555 -3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.894 -9.332 -1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.071 -8.868 -2.725 1.00 0.00 H new ATOM 180 N ILE A 13 5.474 -6.583 -3.676 1.00 0.00 N ATOM 181 CA ILE A 13 5.435 -5.429 -4.611 1.00 0.00 C ATOM 182 C ILE A 13 6.879 -5.084 -4.953 1.00 0.00 C ATOM 183 O ILE A 13 7.190 -4.869 -6.120 1.00 0.00 O ATOM 184 CB ILE A 13 4.751 -4.235 -3.947 1.00 0.00 C ATOM 185 CG1 ILE A 13 3.238 -4.417 -3.755 1.00 0.00 C ATOM 186 CG2 ILE A 13 4.985 -3.010 -4.860 1.00 0.00 C ATOM 187 CD1 ILE A 13 2.752 -5.572 -2.891 1.00 0.00 C ATOM 0 H ILE A 13 5.113 -6.361 -2.748 1.00 0.00 H new ATOM 0 HA ILE A 13 4.871 -5.677 -5.510 1.00 0.00 H new ATOM 0 HB ILE A 13 5.178 -4.116 -2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.844 -3.495 -3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.789 -4.529 -4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.511 -2.133 -4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.055 -2.831 -4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.554 -3.201 -5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.663 -5.565 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.095 -6.515 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.150 -5.464 -1.882 1.00 0.00 H new ATOM 199 N LEU A 14 7.742 -4.933 -3.939 1.00 0.00 N ATOM 200 CA LEU A 14 8.953 -4.137 -4.058 1.00 0.00 C ATOM 201 C LEU A 14 10.023 -4.800 -4.952 1.00 0.00 C ATOM 202 O LEU A 14 10.591 -4.147 -5.826 1.00 0.00 O ATOM 203 CB LEU A 14 9.518 -3.872 -2.648 1.00 0.00 C ATOM 204 CG LEU A 14 9.970 -2.431 -2.382 1.00 0.00 C ATOM 205 CD1 LEU A 14 10.745 -2.356 -1.059 1.00 0.00 C ATOM 206 CD2 LEU A 14 10.826 -1.904 -3.531 1.00 0.00 C ATOM 0 H LEU A 14 7.614 -5.360 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 14 8.689 -3.198 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.757 -4.138 -1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.366 -4.537 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 14 9.082 -1.803 -2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.061 -1.328 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.103 -2.685 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.622 -3.001 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.133 -0.880 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.710 -2.532 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.247 -1.923 -4.454 1.00 0.00 H new ATOM 218 N LEU A 15 10.319 -6.078 -4.682 1.00 0.00 N ATOM 219 CA LEU A 15 11.288 -6.874 -5.434 1.00 0.00 C ATOM 220 C LEU A 15 10.595 -7.657 -6.559 1.00 0.00 C ATOM 221 O LEU A 15 11.069 -7.643 -7.700 1.00 0.00 O ATOM 222 CB LEU A 15 12.041 -7.841 -4.488 1.00 0.00 C ATOM 223 CG LEU A 15 13.208 -7.270 -3.645 1.00 0.00 C ATOM 224 CD1 LEU A 15 14.397 -6.856 -4.529 1.00 0.00 C ATOM 225 CD2 LEU A 15 12.810 -6.088 -2.748 1.00 0.00 C ATOM 0 H LEU A 15 9.881 -6.594 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 15 12.011 -6.195 -5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.312 -8.272 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.434 -8.660 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 15 13.501 -8.090 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.196 -6.460 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 15 14.762 -7.724 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.076 -6.090 -5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.681 -5.745 -2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.431 -5.274 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.035 -6.405 -2.051 1.00 0.00 H new ATOM 237 N ASN A 16 9.509 -8.368 -6.236 1.00 0.00 N ATOM 238 CA ASN A 16 8.880 -9.297 -7.179 1.00 0.00 C ATOM 239 C ASN A 16 7.820 -8.619 -8.062 1.00 0.00 C ATOM 240 O ASN A 16 7.432 -9.227 -9.072 1.00 0.00 O ATOM 241 CB ASN A 16 8.285 -10.489 -6.425 1.00 0.00 C ATOM 242 CG ASN A 16 9.318 -11.128 -5.508 1.00 0.00 C ATOM 243 OD1 ASN A 16 9.160 -11.032 -4.187 1.00 0.00 O flip ATOM 244 ND2 ASN A 16 10.341 -11.669 -5.932 1.00 0.00 N flip ATOM 0 H ASN A 16 9.048 -8.317 -5.328 1.00 0.00 H new ATOM 0 HA ASN A 16 9.659 -9.653 -7.853 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.427 -10.161 -5.838 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.920 -11.229 -7.138 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.492 -11.758 -6.937 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.037 -12.028 -5.278 1.00 0.00 H new ATOM 251 N GLY A 17 7.443 -7.367 -7.742 1.00 0.00 N ATOM 252 CA GLY A 17 6.433 -6.619 -8.448 1.00 0.00 C ATOM 253 C GLY A 17 5.021 -6.939 -8.006 1.00 0.00 C ATOM 254 O GLY A 17 4.601 -8.068 -7.779 1.00 0.00 O ATOM 0 H GLY A 17 7.853 -6.851 -6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.616 -5.554 -8.306 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.525 -6.819 -9.516 1.00 0.00 H new ATOM 258 N ALA A 18 4.231 -5.886 -7.958 1.00 0.00 N ATOM 259 CA ALA A 18 2.774 -5.983 -7.897 1.00 0.00 C ATOM 260 C ALA A 18 2.211 -6.720 -9.144 1.00 0.00 C ATOM 261 O ALA A 18 2.941 -7.104 -10.063 1.00 0.00 O ATOM 262 CB ALA A 18 2.273 -4.524 -7.825 1.00 0.00 C ATOM 0 H ALA A 18 4.578 -4.927 -7.960 1.00 0.00 H new ATOM 0 HA ALA A 18 2.439 -6.562 -7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.184 -4.515 -7.777 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.680 -4.043 -6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.601 -3.982 -8.712 1.00 0.00 H new ATOM 268 N ARG A 19 0.877 -6.819 -9.197 1.00 0.00 N ATOM 269 CA ARG A 19 0.080 -6.894 -10.424 1.00 0.00 C ATOM 270 C ARG A 19 0.429 -5.778 -11.434 1.00 0.00 C ATOM 271 O ARG A 19 1.470 -5.140 -11.458 1.00 0.00 O ATOM 272 CB ARG A 19 -1.446 -6.971 -10.104 1.00 0.00 C ATOM 273 CG ARG A 19 -1.867 -7.919 -8.969 1.00 0.00 C ATOM 274 CD ARG A 19 -1.344 -9.389 -8.972 1.00 0.00 C ATOM 275 NE ARG A 19 -2.398 -10.371 -9.331 1.00 0.00 N ATOM 276 CZ ARG A 19 -2.605 -11.028 -10.471 1.00 0.00 C ATOM 277 NH1 ARG A 19 -1.786 -11.052 -11.508 1.00 0.00 N ATOM 278 NH2 ARG A 19 -3.731 -11.680 -10.603 1.00 0.00 N ATOM 0 H ARG A 19 0.303 -6.850 -8.354 1.00 0.00 H new ATOM 0 HA ARG A 19 0.347 -7.825 -10.924 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.792 -5.968 -9.855 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.969 -7.273 -11.011 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.558 -7.463 -8.029 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.956 -7.958 -8.961 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.518 -9.475 -9.678 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.948 -9.631 -7.986 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.068 -10.574 -8.589 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.907 -10.536 -11.476 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.033 -11.587 -12.341 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.416 -11.674 -9.847 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.925 -12.195 -11.462 1.00 0.00 H new ATOM 292 N ASP A 20 -0.537 -5.548 -12.288 1.00 0.00 N ATOM 293 CA ASP A 20 -0.649 -4.473 -13.301 1.00 0.00 C ATOM 294 C ASP A 20 -0.244 -2.985 -12.914 1.00 0.00 C ATOM 295 O ASP A 20 -0.343 -2.040 -13.708 1.00 0.00 O ATOM 296 CB ASP A 20 -2.124 -4.561 -13.749 1.00 0.00 C ATOM 297 CG ASP A 20 -2.356 -4.693 -15.262 1.00 0.00 C ATOM 298 OD1 ASP A 20 -3.378 -4.133 -15.745 1.00 0.00 O ATOM 299 OD2 ASP A 20 -1.582 -5.431 -15.900 1.00 0.00 O1- ATOM 0 H ASP A 20 -1.355 -6.156 -12.311 1.00 0.00 H new ATOM 0 HA ASP A 20 0.103 -4.657 -14.068 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.584 -5.416 -13.254 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.645 -3.671 -13.397 1.00 0.00 H new ATOM 304 N TRP A 21 0.195 -2.764 -11.674 1.00 0.00 N ATOM 305 CA TRP A 21 0.746 -1.560 -11.123 1.00 0.00 C ATOM 306 C TRP A 21 2.161 -1.254 -11.627 1.00 0.00 C ATOM 307 O TRP A 21 2.859 -2.089 -12.206 1.00 0.00 O ATOM 308 CB TRP A 21 0.719 -1.646 -9.579 1.00 0.00 C ATOM 309 CG TRP A 21 -0.602 -1.883 -8.890 1.00 0.00 C ATOM 310 CD1 TRP A 21 -1.490 -2.861 -9.149 1.00 0.00 C ATOM 311 CD2 TRP A 21 -1.242 -1.091 -7.840 1.00 0.00 C ATOM 312 NE1 TRP A 21 -2.631 -2.739 -8.427 1.00 0.00 N ATOM 313 CE2 TRP A 21 -2.582 -1.578 -7.659 1.00 0.00 C ATOM 314 CE3 TRP A 21 -0.840 0.080 -7.167 1.00 0.00 C ATOM 315 CZ2 TRP A 21 -3.506 -0.864 -6.891 1.00 0.00 C ATOM 316 CZ3 TRP A 21 -1.796 0.823 -6.436 1.00 0.00 C ATOM 317 CH2 TRP A 21 -3.106 0.341 -6.285 1.00 0.00 C ATOM 0 H TRP A 21 0.163 -3.507 -10.976 1.00 0.00 H new ATOM 0 HA TRP A 21 0.125 -0.731 -11.463 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.396 -2.447 -9.281 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.133 -0.716 -9.189 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.312 -3.658 -9.856 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.409 -3.399 -8.444 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.188 0.407 -7.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.513 -1.232 -6.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -1.517 1.767 -5.991 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.816 0.903 -5.696 1.00 0.00 H new ATOM 328 N ASP A 22 2.550 -0.014 -11.357 1.00 0.00 N ATOM 329 CA ASP A 22 3.903 0.532 -11.359 1.00 0.00 C ATOM 330 C ASP A 22 4.453 0.364 -9.947 1.00 0.00 C ATOM 331 O ASP A 22 3.707 0.429 -8.980 1.00 0.00 O ATOM 332 CB ASP A 22 3.846 2.000 -11.828 1.00 0.00 C ATOM 333 CG ASP A 22 5.197 2.730 -11.885 1.00 0.00 C ATOM 334 OD1 ASP A 22 6.250 2.174 -11.628 1.00 0.00 O ATOM 335 OD2 ASP A 22 5.072 3.974 -12.217 1.00 0.00 O1- ATOM 0 H ASP A 22 1.865 0.700 -11.109 1.00 0.00 H new ATOM 0 HA ASP A 22 4.570 0.015 -12.048 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.395 2.029 -12.820 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.183 2.551 -11.161 1.00 0.00 H new ATOM 340 N VAL A 23 5.747 0.110 -9.819 1.00 0.00 N ATOM 341 CA VAL A 23 6.407 -0.225 -8.560 1.00 0.00 C ATOM 342 C VAL A 23 7.206 0.999 -8.218 1.00 0.00 C ATOM 343 O VAL A 23 8.246 1.289 -8.819 1.00 0.00 O ATOM 344 CB VAL A 23 7.283 -1.497 -8.678 1.00 0.00 C ATOM 345 CG1 VAL A 23 8.060 -1.764 -7.377 1.00 0.00 C ATOM 346 CG2 VAL A 23 6.399 -2.721 -8.980 1.00 0.00 C ATOM 0 H VAL A 23 6.389 0.131 -10.611 1.00 0.00 H new ATOM 0 HA VAL A 23 5.693 -0.472 -7.774 1.00 0.00 H new ATOM 0 HB VAL A 23 7.992 -1.332 -9.489 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.665 -2.663 -7.493 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.709 -0.916 -7.160 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.357 -1.903 -6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.024 -3.610 -9.061 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.678 -2.857 -8.174 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.868 -2.564 -9.919 1.00 0.00 H new ATOM 356 N LEU A 24 6.661 1.735 -7.256 1.00 0.00 N ATOM 357 CA LEU A 24 7.124 3.064 -6.940 1.00 0.00 C ATOM 358 C LEU A 24 7.574 3.192 -5.493 1.00 0.00 C ATOM 359 O LEU A 24 6.972 2.669 -4.565 1.00 0.00 O ATOM 360 CB LEU A 24 6.056 4.092 -7.239 1.00 0.00 C ATOM 361 CG LEU A 24 6.594 5.078 -8.298 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.421 5.870 -8.794 1.00 0.00 C ATOM 363 CD2 LEU A 24 7.669 6.043 -7.762 1.00 0.00 C ATOM 0 H LEU A 24 5.884 1.418 -6.677 1.00 0.00 H new ATOM 0 HA LEU A 24 7.991 3.251 -7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.153 3.602 -7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.783 4.627 -6.330 1.00 0.00 H new ATOM 0 HG LEU A 24 7.079 4.501 -9.085 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.756 6.583 -9.548 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.686 5.195 -9.234 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.967 6.408 -7.962 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.997 6.704 -8.564 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.251 6.638 -6.950 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.520 5.471 -7.392 1.00 0.00 H new ATOM 375 N GLN A 25 8.566 4.035 -5.299 1.00 0.00 N ATOM 376 CA GLN A 25 8.937 4.461 -3.975 1.00 0.00 C ATOM 377 C GLN A 25 8.803 5.958 -3.830 1.00 0.00 C ATOM 378 O GLN A 25 9.699 6.758 -4.112 1.00 0.00 O ATOM 379 CB GLN A 25 10.273 3.864 -3.580 1.00 0.00 C ATOM 380 CG GLN A 25 10.048 2.375 -3.264 1.00 0.00 C ATOM 381 CD GLN A 25 10.309 1.381 -4.400 1.00 0.00 C ATOM 382 OE1 GLN A 25 9.300 0.707 -4.940 1.00 0.00 O flip ATOM 383 NE2 GLN A 25 11.446 1.152 -4.781 1.00 0.00 N flip ATOM 0 H GLN A 25 9.129 4.438 -6.048 1.00 0.00 H new ATOM 0 HA GLN A 25 8.237 4.066 -3.238 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.996 3.978 -4.388 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.681 4.381 -2.712 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.687 2.106 -2.423 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.017 2.250 -2.933 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.232 1.661 -4.376 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.610 0.452 -5.504 1.00 0.00 H new ATOM 392 N THR A 26 7.587 6.283 -3.409 1.00 0.00 N ATOM 393 CA THR A 26 7.126 7.594 -2.978 1.00 0.00 C ATOM 394 C THR A 26 6.275 7.458 -1.704 1.00 0.00 C ATOM 395 O THR A 26 6.101 6.346 -1.219 1.00 0.00 O ATOM 396 CB THR A 26 6.469 8.321 -4.158 1.00 0.00 C ATOM 397 OG1 THR A 26 6.166 9.623 -3.754 1.00 0.00 O ATOM 398 CG2 THR A 26 5.183 7.679 -4.695 1.00 0.00 C ATOM 0 H THR A 26 6.845 5.586 -3.357 1.00 0.00 H new ATOM 0 HA THR A 26 7.955 8.237 -2.682 1.00 0.00 H new ATOM 0 HB THR A 26 7.190 8.275 -4.974 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.746 10.106 -4.496 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.801 8.271 -5.527 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.397 6.667 -5.038 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.436 7.642 -3.902 1.00 0.00 H new ATOM 406 N THR A 27 5.767 8.540 -1.127 1.00 0.00 N ATOM 407 CA THR A 27 5.127 8.639 0.193 1.00 0.00 C ATOM 408 C THR A 27 4.020 9.642 -0.022 1.00 0.00 C ATOM 409 O THR A 27 4.206 10.619 -0.750 1.00 0.00 O ATOM 410 CB THR A 27 6.073 9.168 1.286 1.00 0.00 C ATOM 411 OG1 THR A 27 6.660 10.373 0.856 1.00 0.00 O ATOM 412 CG2 THR A 27 7.207 8.188 1.615 1.00 0.00 C ATOM 0 H THR A 27 5.790 9.443 -1.600 1.00 0.00 H new ATOM 0 HA THR A 27 4.797 7.659 0.537 1.00 0.00 H new ATOM 0 HB THR A 27 5.468 9.309 2.181 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.261 10.711 1.552 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.842 8.614 2.392 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.784 7.247 1.967 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.802 8.006 0.720 1.00 0.00 H new ATOM 420 N CYS A 28 2.859 9.439 0.580 1.00 0.00 N ATOM 421 CA CYS A 28 1.748 10.360 0.471 1.00 0.00 C ATOM 422 C CYS A 28 1.318 10.919 1.813 1.00 0.00 C ATOM 423 O CYS A 28 1.406 10.225 2.817 1.00 0.00 O ATOM 424 CB CYS A 28 0.624 9.617 -0.190 1.00 0.00 C ATOM 425 SG CYS A 28 -0.812 10.692 -0.438 1.00 0.00 S ATOM 0 H CYS A 28 2.664 8.624 1.161 1.00 0.00 H new ATOM 0 HA CYS A 28 2.049 11.226 -0.119 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.959 9.225 -1.150 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.340 8.761 0.422 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.430 10.346 -1.529 1.00 0.00 H new ATOM 431 N THR A 29 0.831 12.157 1.791 1.00 0.00 N ATOM 432 CA THR A 29 0.377 12.832 3.000 1.00 0.00 C ATOM 433 C THR A 29 -1.121 12.923 3.028 1.00 0.00 C ATOM 434 O THR A 29 -1.719 13.627 2.212 1.00 0.00 O ATOM 435 CB THR A 29 0.960 14.252 3.135 1.00 0.00 C ATOM 436 OG1 THR A 29 2.298 14.333 2.707 1.00 0.00 O ATOM 437 CG2 THR A 29 0.825 14.822 4.546 1.00 0.00 C ATOM 0 H THR A 29 0.741 12.715 0.942 1.00 0.00 H new ATOM 0 HA THR A 29 0.733 12.232 3.837 1.00 0.00 H new ATOM 0 HB THR A 29 0.354 14.866 2.469 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.620 15.253 2.811 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.254 15.824 4.576 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.229 14.870 4.820 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.354 14.179 5.250 1.00 0.00 H new ATOM 445 N VAL A 30 -1.721 12.276 4.027 1.00 0.00 N ATOM 446 CA VAL A 30 -3.185 12.268 4.227 1.00 0.00 C ATOM 447 C VAL A 30 -3.508 12.108 5.726 1.00 0.00 C ATOM 448 O VAL A 30 -2.710 11.554 6.461 1.00 0.00 O ATOM 449 CB VAL A 30 -3.933 11.232 3.328 1.00 0.00 C ATOM 450 CG1 VAL A 30 -5.448 11.229 3.605 1.00 0.00 C ATOM 451 CG2 VAL A 30 -3.801 11.512 1.822 1.00 0.00 C ATOM 0 H VAL A 30 -1.211 11.738 4.727 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.568 13.233 3.896 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.461 10.282 3.581 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.934 10.496 2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.627 10.970 4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.857 12.219 3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.346 10.752 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.215 12.495 1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.749 11.488 1.538 1.00 0.00 H new ATOM 461 N ASP A 31 -4.615 12.671 6.211 1.00 0.00 N ATOM 462 CA ASP A 31 -5.096 12.524 7.616 1.00 0.00 C ATOM 463 C ASP A 31 -4.207 13.192 8.666 1.00 0.00 C ATOM 464 O ASP A 31 -4.245 12.857 9.849 1.00 0.00 O ATOM 465 CB ASP A 31 -5.332 11.030 7.957 1.00 0.00 C ATOM 466 CG ASP A 31 -6.829 10.731 8.002 1.00 0.00 C ATOM 467 OD1 ASP A 31 -7.367 10.569 9.132 1.00 0.00 O ATOM 468 OD2 ASP A 31 -7.435 10.630 6.919 1.00 0.00 O1- ATOM 0 H ASP A 31 -5.225 13.256 5.641 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.042 13.063 7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.850 10.398 7.211 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.877 10.792 8.919 1.00 0.00 H new ATOM 473 N ARG A 32 -3.344 14.118 8.215 1.00 0.00 N ATOM 474 CA ARG A 32 -2.265 14.751 8.989 1.00 0.00 C ATOM 475 C ARG A 32 -1.233 13.701 9.448 1.00 0.00 C ATOM 476 O ARG A 32 -0.710 13.757 10.559 1.00 0.00 O ATOM 477 CB ARG A 32 -2.788 15.536 10.202 1.00 0.00 C ATOM 478 CG ARG A 32 -3.887 16.540 9.857 1.00 0.00 C ATOM 479 CD ARG A 32 -4.349 17.178 11.160 1.00 0.00 C ATOM 480 NE ARG A 32 -5.515 18.025 10.926 1.00 0.00 N ATOM 481 CZ ARG A 32 -6.301 18.504 11.873 1.00 0.00 C ATOM 482 NH1 ARG A 32 -6.166 18.171 13.144 1.00 0.00 N ATOM 483 NH2 ARG A 32 -7.283 19.287 11.524 1.00 0.00 N ATOM 0 H ARG A 32 -3.382 14.461 7.255 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.783 15.465 8.321 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.170 14.832 10.942 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.957 16.066 10.666 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.511 17.299 9.171 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.718 16.042 9.358 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.595 16.402 11.885 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.541 17.771 11.589 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.739 18.264 9.960 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.433 17.520 13.426 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.795 18.565 13.844 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.429 19.515 10.541 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.906 19.671 12.234 1.00 0.00 H new ATOM 497 N LYS A 33 -1.005 12.722 8.579 1.00 0.00 N ATOM 498 CA LYS A 33 -0.075 11.601 8.678 1.00 0.00 C ATOM 499 C LYS A 33 0.509 11.325 7.274 1.00 0.00 C ATOM 500 O LYS A 33 -0.019 11.787 6.252 1.00 0.00 O ATOM 501 CB LYS A 33 -0.823 10.381 9.268 1.00 0.00 C ATOM 502 CG LYS A 33 0.173 9.254 9.530 1.00 0.00 C ATOM 503 CD LYS A 33 -0.232 8.207 10.577 1.00 0.00 C ATOM 504 CE LYS A 33 -0.673 6.955 9.836 1.00 0.00 C ATOM 505 NZ LYS A 33 -1.096 5.856 10.731 1.00 0.00 N ATOM 0 H LYS A 33 -1.519 12.690 7.698 1.00 0.00 H new ATOM 0 HA LYS A 33 0.757 11.824 9.345 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.324 10.661 10.195 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.596 10.045 8.577 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.360 8.739 8.588 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.117 9.700 9.842 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.605 7.984 11.238 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.040 8.585 11.203 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.498 7.208 9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.147 6.606 9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.041 4.952 10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.470 5.824 11.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.075 6.019 11.042 1.00 0.00 H new ATOM 519 N VAL A 34 1.656 10.653 7.197 1.00 0.00 N ATOM 520 CA VAL A 34 2.288 10.261 5.928 1.00 0.00 C ATOM 521 C VAL A 34 2.420 8.744 5.820 1.00 0.00 C ATOM 522 O VAL A 34 2.869 8.088 6.751 1.00 0.00 O ATOM 523 CB VAL A 34 3.653 10.947 5.774 1.00 0.00 C ATOM 524 CG1 VAL A 34 4.575 10.341 4.693 1.00 0.00 C ATOM 525 CG2 VAL A 34 3.488 12.447 5.468 1.00 0.00 C ATOM 0 H VAL A 34 2.182 10.360 8.020 1.00 0.00 H new ATOM 0 HA VAL A 34 1.645 10.592 5.113 1.00 0.00 H new ATOM 0 HB VAL A 34 4.135 10.784 6.738 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.513 10.895 4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.778 9.297 4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.086 10.403 3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.471 12.907 5.364 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.930 12.570 4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.947 12.927 6.283 1.00 0.00 H new ATOM 535 N TYR A 35 2.016 8.240 4.659 1.00 0.00 N ATOM 536 CA TYR A 35 1.914 6.834 4.323 1.00 0.00 C ATOM 537 C TYR A 35 2.843 6.508 3.192 1.00 0.00 C ATOM 538 O TYR A 35 2.813 7.082 2.102 1.00 0.00 O ATOM 539 CB TYR A 35 0.518 6.531 3.844 1.00 0.00 C ATOM 540 CG TYR A 35 -0.503 6.917 4.845 1.00 0.00 C ATOM 541 CD1 TYR A 35 -1.173 8.144 4.727 1.00 0.00 C ATOM 542 CD2 TYR A 35 -0.724 6.052 5.922 1.00 0.00 C ATOM 543 CE1 TYR A 35 -2.142 8.488 5.683 1.00 0.00 C ATOM 544 CE2 TYR A 35 -1.729 6.379 6.857 1.00 0.00 C ATOM 545 CZ TYR A 35 -2.434 7.600 6.749 1.00 0.00 C ATOM 546 OH TYR A 35 -3.373 7.928 7.678 1.00 0.00 O ATOM 0 H TYR A 35 1.736 8.842 3.885 1.00 0.00 H new ATOM 0 HA TYR A 35 2.164 6.252 5.210 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.331 7.062 2.911 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.431 5.466 3.628 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.946 8.815 3.912 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.137 5.152 6.036 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.665 9.430 5.606 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.961 5.694 7.659 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.609 7.133 8.200 1.00 0.00 H new ATOM 556 N LYS A 36 3.661 5.502 3.411 1.00 0.00 N ATOM 557 CA LYS A 36 4.768 5.245 2.511 1.00 0.00 C ATOM 558 C LYS A 36 4.375 4.221 1.443 1.00 0.00 C ATOM 559 O LYS A 36 3.910 3.131 1.767 1.00 0.00 O ATOM 560 CB LYS A 36 5.975 4.836 3.345 1.00 0.00 C ATOM 561 CG LYS A 36 6.186 5.602 4.673 1.00 0.00 C ATOM 562 CD LYS A 36 7.317 5.020 5.524 1.00 0.00 C ATOM 563 CE LYS A 36 8.635 4.988 4.753 1.00 0.00 C ATOM 564 NZ LYS A 36 9.784 5.199 5.652 1.00 0.00 N ATOM 0 H LYS A 36 3.584 4.854 4.195 1.00 0.00 H new ATOM 0 HA LYS A 36 5.037 6.143 1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.888 3.774 3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.869 4.958 2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.405 6.647 4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.260 5.584 5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.437 5.616 6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.054 4.011 5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.739 4.029 4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.627 5.758 3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.666 5.172 5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.695 6.125 6.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.803 4.449 6.373 1.00 0.00 H new ATOM 578 N THR A 37 4.450 4.642 0.180 1.00 0.00 N ATOM 579 CA THR A 37 3.867 3.953 -0.969 1.00 0.00 C ATOM 580 C THR A 37 4.877 2.999 -1.564 1.00 0.00 C ATOM 581 O THR A 37 6.089 3.209 -1.488 1.00 0.00 O ATOM 582 CB THR A 37 3.257 4.894 -2.019 1.00 0.00 C ATOM 583 OG1 THR A 37 4.264 5.357 -2.863 1.00 0.00 O ATOM 584 CG2 THR A 37 2.514 6.101 -1.431 1.00 0.00 C ATOM 0 H THR A 37 4.935 5.501 -0.079 1.00 0.00 H new ATOM 0 HA THR A 37 3.017 3.379 -0.600 1.00 0.00 H new ATOM 0 HB THR A 37 2.515 4.303 -2.557 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.113 5.383 -2.375 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.115 6.712 -2.240 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.695 5.753 -0.802 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.203 6.696 -0.833 1.00 0.00 H new ATOM 592 N ILE A 38 4.345 1.936 -2.153 1.00 0.00 N ATOM 593 CA ILE A 38 5.105 0.827 -2.729 1.00 0.00 C ATOM 594 C ILE A 38 4.918 0.704 -4.232 1.00 0.00 C ATOM 595 O ILE A 38 5.762 0.192 -4.965 1.00 0.00 O ATOM 596 CB ILE A 38 4.600 -0.523 -2.187 1.00 0.00 C ATOM 597 CG1 ILE A 38 4.026 -0.467 -0.751 1.00 0.00 C ATOM 598 CG2 ILE A 38 5.898 -1.384 -2.150 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.570 -1.849 -0.277 1.00 0.00 C ATOM 0 H ILE A 38 3.337 1.815 -2.248 1.00 0.00 H new ATOM 0 HA ILE A 38 6.142 1.040 -2.469 1.00 0.00 H new ATOM 0 HB ILE A 38 3.784 -0.895 -2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.783 -0.079 -0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.185 0.225 -0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.663 -2.381 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.312 -1.462 -3.155 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.629 -0.913 -1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.172 -1.774 0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.795 -2.225 -0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.418 -2.534 -0.284 1.00 0.00 H new ATOM 611 N CYS A 39 3.717 1.058 -4.642 1.00 0.00 N ATOM 612 CA CYS A 39 3.255 0.817 -5.985 1.00 0.00 C ATOM 613 C CYS A 39 2.125 1.747 -6.289 1.00 0.00 C ATOM 614 O CYS A 39 1.269 2.041 -5.453 1.00 0.00 O ATOM 615 CB CYS A 39 2.865 -0.653 -6.202 1.00 0.00 C ATOM 616 SG CYS A 39 1.956 -1.510 -4.899 1.00 0.00 S ATOM 0 H CYS A 39 3.033 1.524 -4.045 1.00 0.00 H new ATOM 0 HA CYS A 39 4.071 1.015 -6.680 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.267 -0.705 -7.112 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.781 -1.214 -6.390 1.00 0.00 H new ATOM 0 HG CYS A 39 1.553 -2.665 -5.339 1.00 0.00 H new ATOM 622 N LYS A 40 2.132 2.188 -7.533 1.00 0.00 N ATOM 623 CA LYS A 40 1.144 3.038 -8.090 1.00 0.00 C ATOM 624 C LYS A 40 0.384 2.374 -9.222 1.00 0.00 C ATOM 625 O LYS A 40 0.989 1.858 -10.148 1.00 0.00 O ATOM 626 CB LYS A 40 1.909 4.256 -8.580 1.00 0.00 C ATOM 627 CG LYS A 40 1.066 5.363 -9.186 1.00 0.00 C ATOM 628 CD LYS A 40 1.674 5.953 -10.477 1.00 0.00 C ATOM 629 CE LYS A 40 1.503 4.997 -11.677 1.00 0.00 C ATOM 630 NZ LYS A 40 2.510 5.220 -12.753 1.00 0.00 N ATOM 0 H LYS A 40 2.867 1.942 -8.197 1.00 0.00 H new ATOM 0 HA LYS A 40 0.382 3.295 -7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.472 4.670 -7.743 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.637 3.930 -9.323 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.071 4.975 -9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.943 6.160 -8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.197 6.907 -10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.734 6.155 -10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.577 3.968 -11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.503 5.121 -12.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.154 4.828 -13.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.679 6.240 -12.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.401 4.748 -12.498 1.00 0.00 H new ATOM 644 N ARG A 41 -0.936 2.477 -9.214 1.00 0.00 N ATOM 645 CA ARG A 41 -1.751 2.177 -10.373 1.00 0.00 C ATOM 646 C ARG A 41 -2.727 3.309 -10.514 1.00 0.00 C ATOM 647 O ARG A 41 -3.526 3.601 -9.638 1.00 0.00 O ATOM 648 CB ARG A 41 -2.459 0.839 -10.262 1.00 0.00 C ATOM 649 CG ARG A 41 -3.156 0.489 -11.584 1.00 0.00 C ATOM 650 CD ARG A 41 -4.288 -0.500 -11.282 1.00 0.00 C ATOM 651 NE ARG A 41 -4.943 -1.025 -12.491 1.00 0.00 N ATOM 652 CZ ARG A 41 -6.222 -1.362 -12.607 1.00 0.00 C ATOM 653 NH1 ARG A 41 -7.105 -1.257 -11.630 1.00 0.00 N ATOM 654 NH2 ARG A 41 -6.644 -1.773 -13.784 1.00 0.00 N ATOM 0 H ARG A 41 -1.471 2.773 -8.398 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.122 2.087 -11.258 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.740 0.061 -10.006 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.192 0.874 -9.456 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.553 1.389 -12.054 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.445 0.051 -12.284 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.888 -1.333 -10.704 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.034 -0.008 -10.658 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.359 -1.141 -13.319 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.818 -0.899 -10.719 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.074 -1.534 -11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.995 -1.824 -14.569 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.620 -2.040 -13.911 1.00 0.00 H new ATOM 668 N GLY A 42 -2.629 3.974 -11.650 1.00 0.00 N ATOM 669 CA GLY A 42 -3.459 5.135 -11.915 1.00 0.00 C ATOM 670 C GLY A 42 -3.282 6.215 -10.859 1.00 0.00 C ATOM 671 O GLY A 42 -2.170 6.579 -10.487 1.00 0.00 O ATOM 0 H GLY A 42 -1.985 3.731 -12.403 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.211 5.542 -12.895 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.505 4.832 -11.952 1.00 0.00 H new ATOM 675 N ASN A 43 -4.424 6.686 -10.378 1.00 0.00 N ATOM 676 CA ASN A 43 -4.503 7.677 -9.287 1.00 0.00 C ATOM 677 C ASN A 43 -4.505 7.044 -7.876 1.00 0.00 C ATOM 678 O ASN A 43 -4.844 7.706 -6.892 1.00 0.00 O ATOM 679 CB ASN A 43 -5.682 8.636 -9.557 1.00 0.00 C ATOM 680 CG ASN A 43 -7.066 8.281 -9.018 1.00 0.00 C ATOM 681 OD1 ASN A 43 -7.889 9.167 -8.797 1.00 0.00 O ATOM 682 ND2 ASN A 43 -7.405 7.014 -8.819 1.00 0.00 N ATOM 0 H ASN A 43 -5.336 6.395 -10.730 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.587 8.268 -9.285 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.412 9.611 -9.152 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.770 8.753 -10.637 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.341 6.783 -8.486 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.730 6.271 -8.999 1.00 0.00 H new ATOM 689 N THR A 44 -4.111 5.766 -7.780 1.00 0.00 N ATOM 690 CA THR A 44 -3.867 5.078 -6.501 1.00 0.00 C ATOM 691 C THR A 44 -2.418 4.621 -6.327 1.00 0.00 C ATOM 692 O THR A 44 -1.646 4.464 -7.270 1.00 0.00 O ATOM 693 CB THR A 44 -4.893 3.975 -6.259 1.00 0.00 C ATOM 694 OG1 THR A 44 -4.829 3.480 -4.943 1.00 0.00 O ATOM 695 CG2 THR A 44 -4.902 2.811 -7.227 1.00 0.00 C ATOM 0 H THR A 44 -3.951 5.174 -8.595 1.00 0.00 H new ATOM 0 HA THR A 44 -4.012 5.814 -5.710 1.00 0.00 H new ATOM 0 HB THR A 44 -5.832 4.499 -6.440 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.539 2.818 -4.807 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.678 2.103 -6.937 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.102 3.177 -8.234 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.932 2.314 -7.207 1.00 0.00 H new ATOM 703 N TYR A 45 -2.066 4.491 -5.056 1.00 0.00 N ATOM 704 CA TYR A 45 -0.772 4.425 -4.443 1.00 0.00 C ATOM 705 C TYR A 45 -1.043 3.582 -3.213 1.00 0.00 C ATOM 706 O TYR A 45 -1.645 4.017 -2.222 1.00 0.00 O ATOM 707 CB TYR A 45 -0.285 5.808 -3.997 1.00 0.00 C ATOM 708 CG TYR A 45 0.177 6.685 -5.129 1.00 0.00 C ATOM 709 CD1 TYR A 45 -0.782 7.326 -5.919 1.00 0.00 C ATOM 710 CD2 TYR A 45 1.545 6.839 -5.409 1.00 0.00 C ATOM 711 CE1 TYR A 45 -0.383 8.143 -6.990 1.00 0.00 C ATOM 712 CE2 TYR A 45 1.957 7.641 -6.490 1.00 0.00 C ATOM 713 CZ TYR A 45 0.989 8.311 -7.279 1.00 0.00 C ATOM 714 OH TYR A 45 1.349 9.055 -8.361 1.00 0.00 O ATOM 0 H TYR A 45 -2.793 4.421 -4.344 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.010 4.034 -5.117 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.092 6.313 -3.465 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.534 5.683 -3.289 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.832 7.193 -5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.281 6.342 -4.795 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.126 8.643 -7.593 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.008 7.745 -6.717 1.00 0.00 H new ATOM 0 HH TYR A 45 2.326 9.081 -8.430 1.00 0.00 H new ATOM 724 N LEU A 46 -0.609 2.345 -3.314 1.00 0.00 N ATOM 725 CA LEU A 46 -0.660 1.407 -2.236 1.00 0.00 C ATOM 726 C LEU A 46 0.439 1.787 -1.248 1.00 0.00 C ATOM 727 O LEU A 46 1.569 2.011 -1.671 1.00 0.00 O ATOM 728 CB LEU A 46 -0.358 0.047 -2.826 1.00 0.00 C ATOM 729 CG LEU A 46 -1.006 -1.039 -1.954 1.00 0.00 C ATOM 730 CD1 LEU A 46 -2.424 -1.338 -2.469 1.00 0.00 C ATOM 731 CD2 LEU A 46 -0.111 -2.262 -1.902 1.00 0.00 C ATOM 0 H LEU A 46 -0.204 1.964 -4.169 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.627 1.401 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.740 -0.013 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.720 -0.108 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.113 -0.691 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.881 -2.109 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.026 -0.431 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.371 -1.687 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.577 -3.028 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.034 -2.650 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.854 -1.988 -1.476 1.00 0.00 H new ATOM 743 N CYS A 47 0.133 1.834 0.032 1.00 0.00 N ATOM 744 CA CYS A 47 1.031 2.256 1.098 1.00 0.00 C ATOM 745 C CYS A 47 0.870 1.398 2.333 1.00 0.00 C ATOM 746 O CYS A 47 -0.061 0.606 2.432 1.00 0.00 O ATOM 747 CB CYS A 47 0.799 3.734 1.449 1.00 0.00 C ATOM 748 SG CYS A 47 -0.878 4.289 1.036 1.00 0.00 S ATOM 0 H CYS A 47 -0.789 1.568 0.378 1.00 0.00 H new ATOM 0 HA CYS A 47 2.051 2.134 0.733 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.976 3.884 2.514 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.524 4.349 0.916 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.080 4.148 -0.240 1.00 0.00 H new ATOM 754 N PHE A 48 1.774 1.582 3.288 1.00 0.00 N ATOM 755 CA PHE A 48 1.806 0.869 4.557 1.00 0.00 C ATOM 756 C PHE A 48 2.065 1.812 5.736 1.00 0.00 C ATOM 757 O PHE A 48 2.656 2.878 5.549 1.00 0.00 O ATOM 758 CB PHE A 48 2.829 -0.275 4.450 1.00 0.00 C ATOM 759 CG PHE A 48 4.262 0.194 4.440 1.00 0.00 C ATOM 760 CD1 PHE A 48 4.949 0.360 5.651 1.00 0.00 C ATOM 761 CD2 PHE A 48 4.874 0.538 3.223 1.00 0.00 C ATOM 762 CE1 PHE A 48 6.260 0.865 5.643 1.00 0.00 C ATOM 763 CE2 PHE A 48 6.191 1.022 3.212 1.00 0.00 C ATOM 764 CZ PHE A 48 6.892 1.177 4.425 1.00 0.00 C ATOM 0 H PHE A 48 2.533 2.257 3.195 1.00 0.00 H new ATOM 0 HA PHE A 48 0.828 0.434 4.763 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.685 -0.959 5.287 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.635 -0.841 3.539 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.473 0.101 6.585 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.331 0.430 2.296 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.785 1.014 6.575 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.667 1.275 2.276 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.911 1.534 4.420 1.00 0.00 H new ATOM 774 N ASP A 49 1.640 1.391 6.935 1.00 0.00 N ATOM 775 CA ASP A 49 2.271 1.840 8.183 1.00 0.00 C ATOM 776 C ASP A 49 2.679 0.625 9.055 1.00 0.00 C ATOM 777 O ASP A 49 2.846 -0.496 8.579 1.00 0.00 O ATOM 778 CB ASP A 49 1.349 2.708 9.030 1.00 0.00 C ATOM 779 CG ASP A 49 0.772 3.941 8.364 1.00 0.00 C ATOM 780 OD1 ASP A 49 -0.392 4.208 8.729 1.00 0.00 O ATOM 781 OD2 ASP A 49 1.525 4.736 7.760 1.00 0.00 O1- ATOM 0 H ASP A 49 0.864 0.742 7.067 1.00 0.00 H new ATOM 0 HA ASP A 49 3.140 2.425 7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.521 2.089 9.375 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.900 3.026 9.915 1.00 0.00 H new ATOM 786 N ASP A 50 2.733 0.825 10.376 1.00 0.00 N ATOM 787 CA ASP A 50 3.147 -0.140 11.394 1.00 0.00 C ATOM 788 C ASP A 50 2.123 -1.260 11.676 1.00 0.00 C ATOM 789 O ASP A 50 2.344 -2.125 12.525 1.00 0.00 O ATOM 790 CB ASP A 50 3.413 0.606 12.723 1.00 0.00 C ATOM 791 CG ASP A 50 4.623 1.549 12.762 1.00 0.00 C ATOM 792 OD1 ASP A 50 4.620 2.407 13.699 1.00 0.00 O ATOM 793 OD2 ASP A 50 5.577 1.361 11.988 1.00 0.00 O1- ATOM 0 H ASP A 50 2.472 1.722 10.786 1.00 0.00 H new ATOM 0 HA ASP A 50 4.041 -0.620 10.995 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.524 1.186 12.970 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.538 -0.138 13.510 1.00 0.00 H new ATOM 798 N THR A 51 0.964 -1.186 11.027 1.00 0.00 N ATOM 799 CA THR A 51 -0.306 -1.757 11.497 1.00 0.00 C ATOM 800 C THR A 51 -0.968 -2.637 10.457 1.00 0.00 C ATOM 801 O THR A 51 -1.711 -3.555 10.804 1.00 0.00 O ATOM 802 CB THR A 51 -1.288 -0.617 11.823 1.00 0.00 C ATOM 803 OG1 THR A 51 -1.311 0.371 10.813 1.00 0.00 O ATOM 804 CG2 THR A 51 -0.941 0.103 13.115 1.00 0.00 C ATOM 0 H THR A 51 0.875 -0.712 10.128 1.00 0.00 H new ATOM 0 HA THR A 51 -0.074 -2.362 12.374 1.00 0.00 H new ATOM 0 HB THR A 51 -2.256 -1.110 11.910 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.176 0.832 10.826 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.666 0.897 13.295 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.964 -0.605 13.944 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.057 0.535 13.034 1.00 0.00 H new ATOM 812 N ASN A 52 -0.785 -2.259 9.194 1.00 0.00 N ATOM 813 CA ASN A 52 -1.633 -2.497 8.054 1.00 0.00 C ATOM 814 C ASN A 52 -1.214 -1.580 6.897 1.00 0.00 C ATOM 815 O ASN A 52 -0.340 -0.718 7.022 1.00 0.00 O ATOM 816 CB ASN A 52 -3.135 -2.422 8.372 1.00 0.00 C ATOM 817 CG ASN A 52 -3.665 -1.134 8.998 1.00 0.00 C ATOM 818 OD1 ASN A 52 -4.053 -1.085 10.157 1.00 0.00 O ATOM 819 ND2 ASN A 52 -3.713 -0.059 8.234 1.00 0.00 N ATOM 0 H ASN A 52 0.045 -1.728 8.930 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.486 -3.531 7.743 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.683 -2.595 7.446 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.377 -3.246 9.044 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.075 0.818 8.609 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.388 -0.105 7.268 1.00 0.00 H new ATOM 826 N LEU A 53 -1.901 -1.757 5.774 1.00 0.00 N ATOM 827 CA LEU A 53 -1.723 -0.969 4.577 1.00 0.00 C ATOM 828 C LEU A 53 -2.869 -0.010 4.343 1.00 0.00 C ATOM 829 O LEU A 53 -3.895 -0.069 5.019 1.00 0.00 O ATOM 830 CB LEU A 53 -1.506 -1.925 3.409 1.00 0.00 C ATOM 831 CG LEU A 53 -0.022 -2.292 3.364 1.00 0.00 C ATOM 832 CD1 LEU A 53 0.389 -3.329 4.386 1.00 0.00 C ATOM 833 CD2 LEU A 53 0.291 -2.931 2.049 1.00 0.00 C ATOM 0 H LEU A 53 -2.617 -2.477 5.677 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.847 -0.330 4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.116 -2.820 3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.811 -1.457 2.473 1.00 0.00 H new ATOM 0 HG LEU A 53 0.503 -1.355 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.455 -3.534 4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.182 -2.954 5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.173 -4.248 4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.348 -3.193 2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.311 -3.832 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.064 -2.234 1.242 1.00 0.00 H new ATOM 845 N TYR A 54 -2.686 0.865 3.360 1.00 0.00 N ATOM 846 CA TYR A 54 -3.685 1.812 2.904 1.00 0.00 C ATOM 847 C TYR A 54 -3.587 1.912 1.367 1.00 0.00 C ATOM 848 O TYR A 54 -2.555 1.578 0.775 1.00 0.00 O ATOM 849 CB TYR A 54 -3.573 3.172 3.638 1.00 0.00 C ATOM 850 CG TYR A 54 -3.351 3.120 5.155 1.00 0.00 C ATOM 851 CD1 TYR A 54 -4.384 3.559 6.002 1.00 0.00 C ATOM 852 CD2 TYR A 54 -2.171 2.589 5.735 1.00 0.00 C ATOM 853 CE1 TYR A 54 -4.257 3.483 7.399 1.00 0.00 C ATOM 854 CE2 TYR A 54 -2.092 2.381 7.123 1.00 0.00 C ATOM 855 CZ TYR A 54 -3.112 2.882 7.963 1.00 0.00 C ATOM 856 OH TYR A 54 -3.003 2.750 9.314 1.00 0.00 O ATOM 0 H TYR A 54 -1.808 0.933 2.845 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.686 1.461 3.156 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.751 3.732 3.193 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.485 3.738 3.447 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.289 3.961 5.572 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.328 2.343 5.107 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.031 3.882 8.037 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.257 1.842 7.545 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.153 3.136 9.613 1.00 0.00 H new ATOM 866 N ALA A 55 -4.647 2.356 0.706 1.00 0.00 N ATOM 867 CA ALA A 55 -4.571 2.792 -0.680 1.00 0.00 C ATOM 868 C ALA A 55 -5.030 4.236 -0.755 1.00 0.00 C ATOM 869 O ALA A 55 -6.222 4.493 -0.611 1.00 0.00 O ATOM 870 CB ALA A 55 -5.414 1.845 -1.548 1.00 0.00 C ATOM 0 H ALA A 55 -5.580 2.424 1.114 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.551 2.752 -1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.363 2.164 -2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.027 0.830 -1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.450 1.869 -1.211 1.00 0.00 H new ATOM 876 N ILE A 56 -4.111 5.175 -0.995 1.00 0.00 N ATOM 877 CA ILE A 56 -4.475 6.588 -1.141 1.00 0.00 C ATOM 878 C ILE A 56 -4.850 6.845 -2.599 1.00 0.00 C ATOM 879 O ILE A 56 -3.988 7.009 -3.466 1.00 0.00 O ATOM 880 CB ILE A 56 -3.410 7.544 -0.591 1.00 0.00 C ATOM 881 CG1 ILE A 56 -3.338 7.443 0.951 1.00 0.00 C ATOM 882 CG2 ILE A 56 -3.787 8.989 -0.987 1.00 0.00 C ATOM 883 CD1 ILE A 56 -1.913 7.383 1.470 1.00 0.00 C ATOM 0 H ILE A 56 -3.114 4.984 -1.092 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.346 6.802 -0.521 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.439 7.276 -1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.844 8.302 1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.877 6.554 1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.037 9.679 -0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.830 9.069 -2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.761 9.239 -0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.925 7.313 2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.411 6.509 1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.378 8.284 1.170 1.00 0.00 H new ATOM 895 N THR A 57 -6.162 6.866 -2.825 1.00 0.00 N ATOM 896 CA THR A 57 -6.770 7.062 -4.130 1.00 0.00 C ATOM 897 C THR A 57 -7.056 8.550 -4.212 1.00 0.00 C ATOM 898 O THR A 57 -8.013 9.048 -3.627 1.00 0.00 O ATOM 899 CB THR A 57 -7.998 6.182 -4.329 1.00 0.00 C ATOM 900 OG1 THR A 57 -7.626 4.859 -4.036 1.00 0.00 O ATOM 901 CG2 THR A 57 -8.476 6.205 -5.774 1.00 0.00 C ATOM 0 H THR A 57 -6.848 6.743 -2.080 1.00 0.00 H new ATOM 0 HA THR A 57 -6.113 6.756 -4.944 1.00 0.00 H new ATOM 0 HB THR A 57 -8.797 6.550 -3.685 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.742 4.676 -4.416 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.353 5.566 -5.877 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.735 7.226 -6.055 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.682 5.840 -6.426 1.00 0.00 H new ATOM 909 N GLY A 58 -6.156 9.267 -4.878 1.00 0.00 N ATOM 910 CA GLY A 58 -6.106 10.748 -4.897 1.00 0.00 C ATOM 911 C GLY A 58 -5.757 11.340 -3.525 1.00 0.00 C ATOM 912 O GLY A 58 -4.643 11.833 -3.322 1.00 0.00 O ATOM 0 H GLY A 58 -5.419 8.837 -5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.367 11.074 -5.629 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.071 11.137 -5.223 1.00 0.00 H new ATOM 916 N ASP A 59 -6.724 11.282 -2.606 1.00 0.00 N ATOM 917 CA ASP A 59 -6.682 11.765 -1.227 1.00 0.00 C ATOM 918 C ASP A 59 -7.542 10.899 -0.282 1.00 0.00 C ATOM 919 O ASP A 59 -7.649 11.169 0.910 1.00 0.00 O ATOM 920 CB ASP A 59 -7.084 13.247 -1.198 1.00 0.00 C ATOM 921 CG ASP A 59 -8.391 13.592 -1.932 1.00 0.00 C ATOM 922 OD1 ASP A 59 -9.157 12.674 -2.302 1.00 0.00 O ATOM 923 OD2 ASP A 59 -8.578 14.812 -2.175 1.00 0.00 O1- ATOM 0 H ASP A 59 -7.627 10.863 -2.826 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.663 11.677 -0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.178 13.560 -0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.276 13.833 -1.636 1.00 0.00 H new ATOM 928 N VAL A 60 -8.134 9.841 -0.811 1.00 0.00 N ATOM 929 CA VAL A 60 -8.946 8.839 -0.106 1.00 0.00 C ATOM 930 C VAL A 60 -7.997 7.817 0.453 1.00 0.00 C ATOM 931 O VAL A 60 -7.562 6.925 -0.263 1.00 0.00 O ATOM 932 CB VAL A 60 -9.952 8.128 -1.049 1.00 0.00 C ATOM 933 CG1 VAL A 60 -10.693 6.952 -0.366 1.00 0.00 C ATOM 934 CG2 VAL A 60 -10.966 9.124 -1.629 1.00 0.00 C ATOM 0 H VAL A 60 -8.061 9.638 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.528 9.335 0.671 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.359 7.707 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.382 6.495 -1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.968 6.209 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.251 7.324 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.658 8.597 -2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.522 9.592 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.439 9.891 -2.197 1.00 0.00 H new ATOM 944 N VAL A 61 -7.650 7.963 1.720 1.00 0.00 N ATOM 945 CA VAL A 61 -6.863 6.971 2.449 1.00 0.00 C ATOM 946 C VAL A 61 -7.730 5.765 2.809 1.00 0.00 C ATOM 947 O VAL A 61 -8.423 5.730 3.821 1.00 0.00 O ATOM 948 CB VAL A 61 -6.136 7.627 3.633 1.00 0.00 C ATOM 949 CG1 VAL A 61 -7.055 8.173 4.735 1.00 0.00 C ATOM 950 CG2 VAL A 61 -5.110 6.676 4.264 1.00 0.00 C ATOM 0 H VAL A 61 -7.906 8.777 2.280 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.071 6.574 1.814 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.635 8.486 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.451 8.616 5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.716 8.931 4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.652 7.359 5.147 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.616 7.175 5.098 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.617 5.781 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.367 6.395 3.518 1.00 0.00 H new ATOM 960 N LEU A 62 -7.755 4.770 1.918 1.00 0.00 N ATOM 961 CA LEU A 62 -8.503 3.538 2.126 1.00 0.00 C ATOM 962 C LEU A 62 -7.626 2.566 2.923 1.00 0.00 C ATOM 963 O LEU A 62 -6.862 1.784 2.372 1.00 0.00 O ATOM 964 CB LEU A 62 -8.991 3.028 0.759 1.00 0.00 C ATOM 965 CG LEU A 62 -9.940 1.805 0.725 1.00 0.00 C ATOM 966 CD1 LEU A 62 -9.681 0.641 1.687 1.00 0.00 C ATOM 967 CD2 LEU A 62 -11.392 2.277 0.931 1.00 0.00 C ATOM 0 H LEU A 62 -7.253 4.801 1.030 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.403 3.678 2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.496 3.854 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.112 2.783 0.163 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.738 1.382 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.434 -0.132 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.691 0.226 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.733 1.000 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -12.061 1.417 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.479 2.777 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.665 2.971 0.136 1.00 0.00 H new ATOM 979 N LYS A 63 -7.770 2.624 4.246 1.00 0.00 N ATOM 980 CA LYS A 63 -7.215 1.659 5.218 1.00 0.00 C ATOM 981 C LYS A 63 -7.657 0.202 4.964 1.00 0.00 C ATOM 982 O LYS A 63 -8.850 -0.122 4.874 1.00 0.00 O ATOM 983 CB LYS A 63 -7.537 2.138 6.653 1.00 0.00 C ATOM 984 CG LYS A 63 -9.028 2.117 7.049 1.00 0.00 C ATOM 985 CD LYS A 63 -9.325 2.747 8.426 1.00 0.00 C ATOM 986 CE LYS A 63 -8.498 2.125 9.563 1.00 0.00 C ATOM 987 NZ LYS A 63 -9.087 2.371 10.910 1.00 0.00 N ATOM 0 H LYS A 63 -8.297 3.372 4.697 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.133 1.636 5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.985 1.515 7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.164 3.156 6.768 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.602 2.646 6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.377 1.085 7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.123 3.817 8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.385 2.632 8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.415 1.051 9.399 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.487 2.531 9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.488 1.929 11.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.143 3.395 11.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.042 1.960 10.952 1.00 0.00 H new ATOM 1001 N PHE A 64 -6.689 -0.718 4.933 1.00 0.00 N ATOM 1002 CA PHE A 64 -6.908 -2.158 4.868 1.00 0.00 C ATOM 1003 C PHE A 64 -6.896 -2.767 6.282 1.00 0.00 C ATOM 1004 O PHE A 64 -6.084 -2.393 7.111 1.00 0.00 O ATOM 1005 CB PHE A 64 -5.841 -2.766 3.972 1.00 0.00 C ATOM 1006 CG PHE A 64 -5.958 -2.416 2.498 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -4.862 -1.866 1.807 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -7.185 -2.570 1.823 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -4.980 -1.497 0.457 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -7.313 -2.157 0.492 1.00 0.00 C ATOM 1011 CZ PHE A 64 -6.227 -1.615 -0.194 1.00 0.00 C ATOM 0 H PHE A 64 -5.700 -0.468 4.953 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.887 -2.377 4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.863 -2.444 4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.877 -3.850 4.076 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.922 -1.726 2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.029 -3.008 2.334 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.121 -1.125 -0.081 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.264 -2.259 -0.010 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.339 -1.287 -1.217 1.00 0.00 H new ATOM 1021 N ALA A 65 -7.749 -3.760 6.541 1.00 0.00 N ATOM 1022 CA ALA A 65 -7.814 -4.496 7.825 1.00 0.00 C ATOM 1023 C ALA A 65 -6.697 -5.510 8.087 1.00 0.00 C ATOM 1024 O ALA A 65 -6.807 -6.357 8.982 1.00 0.00 O ATOM 1025 CB ALA A 65 -9.149 -5.234 7.873 1.00 0.00 C ATOM 0 H ALA A 65 -8.431 -4.089 5.857 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.696 -3.739 8.600 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.226 -5.787 8.809 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.965 -4.514 7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.211 -5.929 7.036 1.00 0.00 H new ATOM 1031 N THR A 66 -5.682 -5.564 7.230 1.00 0.00 N ATOM 1032 CA THR A 66 -4.744 -6.658 7.105 1.00 0.00 C ATOM 1033 C THR A 66 -3.635 -6.073 6.300 1.00 0.00 C ATOM 1034 O THR A 66 -3.793 -5.042 5.651 1.00 0.00 O ATOM 1035 CB THR A 66 -5.305 -7.837 6.302 1.00 0.00 C ATOM 1036 OG1 THR A 66 -6.705 -7.932 6.445 1.00 0.00 O ATOM 1037 CG2 THR A 66 -4.874 -9.209 6.770 1.00 0.00 C ATOM 0 H THR A 66 -5.488 -4.806 6.575 1.00 0.00 H new ATOM 0 HA THR A 66 -4.472 -7.040 8.089 1.00 0.00 H new ATOM 0 HB THR A 66 -4.939 -7.617 5.299 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.017 -8.776 6.057 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.327 -9.969 6.134 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.788 -9.288 6.713 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.195 -9.359 7.801 1.00 0.00 H new ATOM 1045 N VAL A 67 -2.592 -6.851 6.223 1.00 0.00 N ATOM 1046 CA VAL A 67 -1.697 -6.681 5.122 1.00 0.00 C ATOM 1047 C VAL A 67 -2.267 -7.320 3.852 1.00 0.00 C ATOM 1048 O VAL A 67 -2.319 -6.686 2.805 1.00 0.00 O ATOM 1049 CB VAL A 67 -0.378 -7.361 5.442 1.00 0.00 C ATOM 1050 CG1 VAL A 67 0.628 -6.458 4.808 1.00 0.00 C ATOM 1051 CG2 VAL A 67 0.186 -7.568 6.831 1.00 0.00 C ATOM 0 H VAL A 67 -2.348 -7.585 6.888 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.556 -5.613 4.957 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.577 -8.385 5.126 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.630 -6.854 4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.438 -6.397 3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.552 -5.463 5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.144 -8.082 6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.327 -6.601 7.314 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.507 -8.170 7.419 1.00 0.00 H new ATOM 1061 N SER A 68 -2.745 -8.570 3.949 1.00 0.00 N ATOM 1062 CA SER A 68 -3.133 -9.402 2.818 1.00 0.00 C ATOM 1063 C SER A 68 -4.290 -8.821 1.989 1.00 0.00 C ATOM 1064 O SER A 68 -4.428 -9.150 0.814 1.00 0.00 O ATOM 1065 CB SER A 68 -3.415 -10.840 3.295 1.00 0.00 C ATOM 1066 OG SER A 68 -2.349 -11.282 4.132 1.00 0.00 O ATOM 0 H SER A 68 -2.873 -9.036 4.847 1.00 0.00 H new ATOM 0 HA SER A 68 -2.289 -9.422 2.129 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.358 -10.875 3.840 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.518 -11.505 2.438 1.00 0.00 H new ATOM 0 HG SER A 68 -2.530 -12.196 4.437 1.00 0.00 H new ATOM 1072 N LYS A 69 -5.073 -7.904 2.566 1.00 0.00 N ATOM 1073 CA LYS A 69 -6.053 -7.104 1.828 1.00 0.00 C ATOM 1074 C LYS A 69 -5.437 -6.388 0.638 1.00 0.00 C ATOM 1075 O LYS A 69 -5.904 -6.530 -0.488 1.00 0.00 O ATOM 1076 CB LYS A 69 -6.535 -5.986 2.738 1.00 0.00 C ATOM 1077 CG LYS A 69 -7.274 -6.431 3.990 1.00 0.00 C ATOM 1078 CD LYS A 69 -8.754 -6.078 3.932 1.00 0.00 C ATOM 1079 CE LYS A 69 -9.381 -7.201 3.103 1.00 0.00 C ATOM 1080 NZ LYS A 69 -10.806 -6.958 2.739 1.00 0.00 N ATOM 0 H LYS A 69 -5.044 -7.695 3.564 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.836 -7.787 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.674 -5.390 3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.191 -5.332 2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.162 -7.508 4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.823 -5.961 4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.190 -6.030 4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.912 -5.105 3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.800 -7.333 2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.313 -8.134 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.163 -7.759 2.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.374 -6.861 3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.877 -6.085 2.178 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.352 -5.659 0.887 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.679 -4.918 -0.170 1.00 0.00 C ATOM 1096 C ALA A 70 -3.284 -5.802 -1.393 1.00 0.00 C ATOM 1097 O ALA A 70 -3.169 -5.327 -2.522 1.00 0.00 O ATOM 1098 CB ALA A 70 -2.527 -4.216 0.550 1.00 0.00 C ATOM 0 H ALA A 70 -3.924 -5.567 1.808 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.324 -4.188 -0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.955 -3.627 -0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.927 -3.559 1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.877 -4.961 1.008 1.00 0.00 H new ATOM 1104 N ARG A 71 -3.116 -7.119 -1.192 1.00 0.00 N ATOM 1105 CA ARG A 71 -2.732 -8.064 -2.256 1.00 0.00 C ATOM 1106 C ARG A 71 -3.915 -8.372 -3.172 1.00 0.00 C ATOM 1107 O ARG A 71 -3.747 -8.485 -4.382 1.00 0.00 O ATOM 1108 CB ARG A 71 -2.272 -9.399 -1.634 1.00 0.00 C ATOM 1109 CG ARG A 71 -1.326 -10.186 -2.579 1.00 0.00 C ATOM 1110 CD ARG A 71 -0.052 -10.703 -1.879 1.00 0.00 C ATOM 1111 NE ARG A 71 -0.320 -11.745 -0.875 1.00 0.00 N ATOM 1112 CZ ARG A 71 0.659 -12.282 -0.110 1.00 0.00 C ATOM 1113 NH1 ARG A 71 1.944 -12.044 -0.267 1.00 0.00 N ATOM 1114 NH2 ARG A 71 0.413 -13.114 0.866 1.00 0.00 N ATOM 0 H ARG A 71 -3.243 -7.562 -0.282 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.929 -7.600 -2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.761 -9.203 -0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.144 -10.011 -1.403 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.868 -11.032 -3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.039 -9.543 -3.411 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.631 -11.099 -2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.454 -9.866 -1.398 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.277 -12.074 -0.751 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.260 -11.416 -1.006 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.624 -12.487 0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.548 -13.383 1.077 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.182 -13.495 1.417 1.00 0.00 H new ATOM 1128 N ALA A 72 -5.106 -8.500 -2.600 1.00 0.00 N ATOM 1129 CA ALA A 72 -6.348 -8.788 -3.330 1.00 0.00 C ATOM 1130 C ALA A 72 -6.873 -7.511 -4.043 1.00 0.00 C ATOM 1131 O ALA A 72 -7.427 -7.520 -5.139 1.00 0.00 O ATOM 1132 CB ALA A 72 -7.284 -9.334 -2.256 1.00 0.00 C ATOM 0 H ALA A 72 -5.245 -8.406 -1.594 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.232 -9.508 -4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.247 -9.581 -2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.848 -10.230 -1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.427 -8.581 -1.481 1.00 0.00 H new ATOM 1138 N TYR A 73 -6.654 -6.364 -3.409 1.00 0.00 N ATOM 1139 CA TYR A 73 -7.000 -5.043 -3.961 1.00 0.00 C ATOM 1140 C TYR A 73 -6.098 -4.736 -5.173 1.00 0.00 C ATOM 1141 O TYR A 73 -6.607 -4.300 -6.199 1.00 0.00 O ATOM 1142 CB TYR A 73 -6.776 -4.001 -2.873 1.00 0.00 C ATOM 1143 CG TYR A 73 -6.901 -2.577 -3.341 1.00 0.00 C ATOM 1144 CD1 TYR A 73 -5.719 -1.916 -3.733 1.00 0.00 C ATOM 1145 CD2 TYR A 73 -8.166 -1.959 -3.410 1.00 0.00 C ATOM 1146 CE1 TYR A 73 -5.823 -0.594 -4.192 1.00 0.00 C ATOM 1147 CE2 TYR A 73 -8.249 -0.649 -3.909 1.00 0.00 C ATOM 1148 CZ TYR A 73 -7.079 0.030 -4.305 1.00 0.00 C ATOM 1149 OH TYR A 73 -7.150 1.327 -4.717 1.00 0.00 O ATOM 0 H TYR A 73 -6.226 -6.316 -2.484 1.00 0.00 H new ATOM 0 HA TYR A 73 -8.040 -5.028 -4.287 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.494 -4.171 -2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.783 -4.145 -2.448 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.761 -2.413 -3.682 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.053 -2.482 -3.086 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.930 -0.050 -4.461 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.209 -0.162 -3.989 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.088 1.611 -4.744 1.00 0.00 H new ATOM 1159 N LEU A 74 -4.820 -5.159 -5.121 1.00 0.00 N ATOM 1160 CA LEU A 74 -3.895 -5.155 -6.227 1.00 0.00 C ATOM 1161 C LEU A 74 -4.394 -5.792 -7.526 1.00 0.00 C ATOM 1162 O LEU A 74 -4.116 -5.247 -8.604 1.00 0.00 O ATOM 1163 CB LEU A 74 -2.589 -5.840 -5.784 1.00 0.00 C ATOM 1164 CG LEU A 74 -1.362 -4.912 -5.748 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -1.497 -3.588 -4.983 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -0.154 -5.711 -5.275 1.00 0.00 C ATOM 0 H LEU A 74 -4.405 -5.524 -4.264 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.750 -4.104 -6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.736 -6.266 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.381 -6.670 -6.460 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.241 -4.566 -6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.558 -3.037 -5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.296 -2.992 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.733 -3.793 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.722 -5.063 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.347 -6.106 -4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.028 -6.537 -5.963 1.00 0.00 H new ATOM 1178 N GLU A 75 -5.130 -6.890 -7.475 1.00 0.00 N ATOM 1179 CA GLU A 75 -5.747 -7.447 -8.669 1.00 0.00 C ATOM 1180 C GLU A 75 -7.215 -6.999 -8.924 1.00 0.00 C ATOM 1181 O GLU A 75 -7.746 -7.392 -9.981 1.00 0.00 O ATOM 1182 CB GLU A 75 -5.757 -8.994 -8.558 1.00 0.00 C ATOM 1183 CG GLU A 75 -5.891 -9.727 -7.155 1.00 0.00 C ATOM 1184 CD GLU A 75 -6.073 -11.238 -7.407 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -5.361 -11.680 -8.313 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -6.839 -12.015 -6.757 1.00 0.00 O1- ATOM 0 H GLU A 75 -5.315 -7.414 -6.620 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.147 -7.075 -9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.577 -9.350 -9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.833 -9.350 -9.014 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.003 -9.549 -6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.741 -9.330 -6.600 1.00 0.00 H new