USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 588 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 58 GLN : amide:sc= -1.65 K(o=-1.3,f=-3.2!) USER MOD Set 1.2: A 66 TYR OH : rot 60:sc= 0.319 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 18 GLN : amide:sc= -0.305 K(o=-0.3,f=-2.9!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0499 USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 27 GLN : amide:sc= -0.367 K(o=-0.37,f=-3!) USER MOD Single : A 28 MET CE :methyl -179:sc= 0 (180deg=-0.00204) USER MOD Single : A 29 ASN : amide:sc= -3.1 K(o=-3.1,f=-18!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -126:sc= -0.141 (180deg=-1.79) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.104 F(o=-0.83,f=-0.1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.231 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.22 K(o=-1.2,f=-6.9!) USER MOD Single : A 52 TYR OH : rot 30:sc= -0.367 USER MOD Single : A 53 GLN : amide:sc= -0.0105 X(o=-0.011,f=-0.031) USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= 0.891 (180deg=0.805) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0175 X(o=-0.018,f=-0.17) USER MOD Single : A 67 ASN : amide:sc= -0.192 K(o=-0.19,f=-2!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.610 -13.154 -6.885 1.00 0.00 N ATOM 60 CA GLY A 7 6.619 -11.743 -7.230 1.00 0.00 C ATOM 61 C GLY A 7 7.263 -10.911 -6.120 1.00 0.00 C ATOM 62 O GLY A 7 8.022 -11.436 -5.307 1.00 0.00 O ATOM 0 HA2 GLY A 7 7.165 -11.596 -8.162 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.598 -11.400 -7.401 1.00 0.00 H new ATOM 66 N LEU A 8 6.936 -9.627 -6.120 1.00 0.00 N ATOM 67 CA LEU A 8 7.474 -8.717 -5.123 1.00 0.00 C ATOM 68 C LEU A 8 6.519 -8.655 -3.929 1.00 0.00 C ATOM 69 O LEU A 8 5.309 -8.519 -4.103 1.00 0.00 O ATOM 70 CB LEU A 8 7.768 -7.351 -5.747 1.00 0.00 C ATOM 71 CG LEU A 8 8.326 -6.288 -4.799 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.548 -5.597 -5.409 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.241 -5.285 -4.400 1.00 0.00 C ATOM 0 H LEU A 8 6.305 -9.195 -6.795 1.00 0.00 H new ATOM 0 HA LEU A 8 8.430 -9.083 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.478 -7.491 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.847 -6.969 -6.188 1.00 0.00 H new ATOM 0 HG LEU A 8 8.658 -6.784 -3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.925 -4.846 -4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.326 -6.336 -5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.264 -5.116 -6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.664 -4.540 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.857 -4.790 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.428 -5.809 -3.897 1.00 0.00 H new ATOM 85 N GLU A 9 7.100 -8.758 -2.742 1.00 0.00 N ATOM 86 CA GLU A 9 6.316 -8.716 -1.519 1.00 0.00 C ATOM 87 C GLU A 9 6.150 -7.271 -1.045 1.00 0.00 C ATOM 88 O GLU A 9 7.052 -6.451 -1.213 1.00 0.00 O ATOM 89 CB GLU A 9 6.953 -9.581 -0.430 1.00 0.00 C ATOM 90 CG GLU A 9 6.028 -9.704 0.783 1.00 0.00 C ATOM 91 CD GLU A 9 6.603 -10.678 1.814 1.00 0.00 C ATOM 92 OE1 GLU A 9 7.577 -10.281 2.488 1.00 0.00 O ATOM 93 OE2 GLU A 9 6.054 -11.798 1.903 1.00 0.00 O ATOM 0 H GLU A 9 8.104 -8.870 -2.601 1.00 0.00 H new ATOM 0 HA GLU A 9 5.328 -9.124 -1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.170 -10.572 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.904 -9.145 -0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.890 -8.724 1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.045 -10.047 0.462 1.00 0.00 H new ATOM 100 N VAL A 10 4.991 -7.002 -0.463 1.00 0.00 N ATOM 101 CA VAL A 10 4.695 -5.670 0.037 1.00 0.00 C ATOM 102 C VAL A 10 3.787 -5.780 1.263 1.00 0.00 C ATOM 103 O VAL A 10 2.749 -6.440 1.214 1.00 0.00 O ATOM 104 CB VAL A 10 4.093 -4.814 -1.079 1.00 0.00 C ATOM 105 CG1 VAL A 10 3.818 -3.391 -0.591 1.00 0.00 C ATOM 106 CG2 VAL A 10 4.998 -4.806 -2.313 1.00 0.00 C ATOM 0 H VAL A 10 4.245 -7.684 -0.326 1.00 0.00 H new ATOM 0 HA VAL A 10 5.610 -5.169 0.355 1.00 0.00 H new ATOM 0 HB VAL A 10 3.140 -5.259 -1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.390 -2.804 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.116 -3.421 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.751 -2.932 -0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.547 -4.190 -3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.973 -4.397 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.120 -5.825 -2.681 1.00 0.00 H new ATOM 116 N LEU A 11 4.209 -5.123 2.333 1.00 0.00 N ATOM 117 CA LEU A 11 3.446 -5.139 3.570 1.00 0.00 C ATOM 118 C LEU A 11 2.721 -3.801 3.734 1.00 0.00 C ATOM 119 O LEU A 11 2.990 -2.852 3.000 1.00 0.00 O ATOM 120 CB LEU A 11 4.348 -5.499 4.752 1.00 0.00 C ATOM 121 CG LEU A 11 4.838 -6.947 4.805 1.00 0.00 C ATOM 122 CD1 LEU A 11 5.858 -7.222 3.697 1.00 0.00 C ATOM 123 CD2 LEU A 11 5.391 -7.289 6.190 1.00 0.00 C ATOM 0 H LEU A 11 5.069 -4.576 2.369 1.00 0.00 H new ATOM 0 HA LEU A 11 2.681 -5.915 3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.218 -4.842 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.808 -5.285 5.674 1.00 0.00 H new ATOM 0 HG LEU A 11 3.985 -7.602 4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.190 -8.258 3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.397 -7.045 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.715 -6.559 3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.732 -8.324 6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.227 -6.629 6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.608 -7.158 6.937 1.00 0.00 H new ATOM 135 N VAL A 12 1.818 -3.769 4.702 1.00 0.00 N ATOM 136 CA VAL A 12 1.053 -2.564 4.972 1.00 0.00 C ATOM 137 C VAL A 12 0.579 -2.580 6.427 1.00 0.00 C ATOM 138 O VAL A 12 -0.020 -3.555 6.878 1.00 0.00 O ATOM 139 CB VAL A 12 -0.097 -2.438 3.971 1.00 0.00 C ATOM 140 CG1 VAL A 12 -1.037 -1.294 4.356 1.00 0.00 C ATOM 141 CG2 VAL A 12 0.433 -2.256 2.547 1.00 0.00 C ATOM 0 H VAL A 12 1.599 -4.559 5.309 1.00 0.00 H new ATOM 0 HA VAL A 12 1.677 -1.680 4.843 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.669 -3.365 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.845 -1.227 3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.454 -1.483 5.345 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.482 -0.356 4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.405 -2.169 1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.040 -1.352 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.042 -3.117 2.273 1.00 0.00 H new ATOM 151 N LYS A 13 0.867 -1.489 7.122 1.00 0.00 N ATOM 152 CA LYS A 13 0.478 -1.366 8.517 1.00 0.00 C ATOM 153 C LYS A 13 -0.484 -0.187 8.671 1.00 0.00 C ATOM 154 O LYS A 13 -0.232 0.897 8.148 1.00 0.00 O ATOM 155 CB LYS A 13 1.716 -1.272 9.412 1.00 0.00 C ATOM 156 CG LYS A 13 1.381 -1.662 10.853 1.00 0.00 C ATOM 157 CD LYS A 13 2.110 -0.758 11.849 1.00 0.00 C ATOM 158 CE LYS A 13 1.122 -0.089 12.806 1.00 0.00 C ATOM 159 NZ LYS A 13 1.460 1.341 12.985 1.00 0.00 N ATOM 0 H LYS A 13 1.365 -0.682 6.745 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.056 -2.258 8.844 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.498 -1.926 9.027 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.110 -0.256 9.389 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.305 -1.591 11.012 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.661 -2.701 11.027 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.832 -1.345 12.417 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.672 0.004 11.310 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.109 -0.183 12.416 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.141 -0.597 13.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.779 1.780 13.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.419 1.424 13.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.419 1.825 12.065 1.00 0.00 H new ATOM 173 N THR A 14 -1.567 -0.438 9.392 1.00 0.00 N ATOM 174 CA THR A 14 -2.568 0.589 9.622 1.00 0.00 C ATOM 175 C THR A 14 -2.756 0.824 11.122 1.00 0.00 C ATOM 176 O THR A 14 -2.037 0.250 11.939 1.00 0.00 O ATOM 177 CB THR A 14 -3.853 0.166 8.907 1.00 0.00 C ATOM 178 OG1 THR A 14 -4.185 -1.086 9.503 1.00 0.00 O ATOM 179 CG2 THR A 14 -3.619 -0.173 7.434 1.00 0.00 C ATOM 0 H THR A 14 -1.773 -1.338 9.825 1.00 0.00 H new ATOM 0 HA THR A 14 -2.252 1.548 9.212 1.00 0.00 H new ATOM 0 HB THR A 14 -4.591 0.965 8.982 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.008 -1.433 9.099 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.562 -0.467 6.974 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.220 0.701 6.918 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.907 -0.995 7.358 1.00 0.00 H new ATOM 187 N LEU A 15 -3.727 1.669 11.439 1.00 0.00 N ATOM 188 CA LEU A 15 -4.019 1.986 12.827 1.00 0.00 C ATOM 189 C LEU A 15 -4.214 0.688 13.613 1.00 0.00 C ATOM 190 O LEU A 15 -3.656 0.525 14.696 1.00 0.00 O ATOM 191 CB LEU A 15 -5.207 2.945 12.918 1.00 0.00 C ATOM 192 CG LEU A 15 -4.909 4.415 12.614 1.00 0.00 C ATOM 193 CD1 LEU A 15 -4.304 5.115 13.833 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.020 4.549 11.376 1.00 0.00 C ATOM 0 H LEU A 15 -4.321 2.143 10.759 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.179 2.511 13.283 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.979 2.602 12.229 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.625 2.880 13.923 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.851 4.916 12.390 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.102 6.158 13.590 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.005 5.066 14.666 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.374 4.620 14.112 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.823 5.603 11.182 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.077 4.029 11.547 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.525 4.110 10.516 1.00 0.00 H new ATOM 206 N ASP A 16 -5.008 -0.202 13.036 1.00 0.00 N ATOM 207 CA ASP A 16 -5.284 -1.480 13.668 1.00 0.00 C ATOM 208 C ASP A 16 -3.972 -2.095 14.159 1.00 0.00 C ATOM 209 O ASP A 16 -3.932 -2.718 15.219 1.00 0.00 O ATOM 210 CB ASP A 16 -5.923 -2.457 12.680 1.00 0.00 C ATOM 211 CG ASP A 16 -7.338 -2.912 13.043 1.00 0.00 C ATOM 212 OD1 ASP A 16 -7.934 -2.260 13.928 1.00 0.00 O ATOM 213 OD2 ASP A 16 -7.792 -3.900 12.428 1.00 0.00 O ATOM 0 H ASP A 16 -5.469 -0.063 12.137 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.970 -1.305 14.496 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.949 -1.989 11.696 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.285 -3.337 12.598 1.00 0.00 H new ATOM 218 N SER A 17 -2.929 -1.898 13.366 1.00 0.00 N ATOM 219 CA SER A 17 -1.619 -2.425 13.706 1.00 0.00 C ATOM 220 C SER A 17 -1.549 -3.914 13.365 1.00 0.00 C ATOM 221 O SER A 17 -1.126 -4.725 14.188 1.00 0.00 O ATOM 222 CB SER A 17 -1.305 -2.205 15.187 1.00 0.00 C ATOM 223 OG SER A 17 0.098 -2.195 15.440 1.00 0.00 O ATOM 0 H SER A 17 -2.965 -1.380 12.488 1.00 0.00 H new ATOM 0 HA SER A 17 -0.872 -1.889 13.120 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.739 -1.260 15.513 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.774 -2.992 15.778 1.00 0.00 H new ATOM 0 HG SER A 17 0.257 -2.050 16.396 1.00 0.00 H new ATOM 229 N GLN A 18 -1.971 -4.230 12.149 1.00 0.00 N ATOM 230 CA GLN A 18 -1.961 -5.608 11.688 1.00 0.00 C ATOM 231 C GLN A 18 -1.303 -5.703 10.310 1.00 0.00 C ATOM 232 O GLN A 18 -1.990 -5.740 9.291 1.00 0.00 O ATOM 233 CB GLN A 18 -3.378 -6.187 11.660 1.00 0.00 C ATOM 234 CG GLN A 18 -3.785 -6.707 13.040 1.00 0.00 C ATOM 235 CD GLN A 18 -4.499 -8.056 12.928 1.00 0.00 C ATOM 236 OE1 GLN A 18 -4.465 -8.722 11.907 1.00 0.00 O ATOM 237 NE2 GLN A 18 -5.145 -8.419 14.033 1.00 0.00 N ATOM 0 H GLN A 18 -2.322 -3.555 11.469 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.375 -6.201 12.390 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.081 -5.421 11.334 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.429 -6.997 10.932 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.901 -6.810 13.669 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.440 -5.984 13.527 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.133 -7.813 14.853 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.653 -9.303 14.060 1.00 0.00 H new ATOM 246 N THR A 19 0.022 -5.739 10.324 1.00 0.00 N ATOM 247 CA THR A 19 0.780 -5.829 9.088 1.00 0.00 C ATOM 248 C THR A 19 0.222 -6.941 8.199 1.00 0.00 C ATOM 249 O THR A 19 -0.065 -8.038 8.676 1.00 0.00 O ATOM 250 CB THR A 19 2.254 -6.024 9.451 1.00 0.00 C ATOM 251 OG1 THR A 19 2.558 -4.905 10.280 1.00 0.00 O ATOM 252 CG2 THR A 19 3.181 -5.858 8.246 1.00 0.00 C ATOM 0 H THR A 19 0.589 -5.707 11.171 1.00 0.00 H new ATOM 0 HA THR A 19 0.692 -4.914 8.503 1.00 0.00 H new ATOM 0 HB THR A 19 2.394 -7.016 9.882 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.495 -4.952 10.563 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.215 -6.006 8.559 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.923 -6.594 7.484 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.067 -4.855 7.835 1.00 0.00 H new ATOM 260 N ARG A 20 0.084 -6.620 6.921 1.00 0.00 N ATOM 261 CA ARG A 20 -0.436 -7.578 5.960 1.00 0.00 C ATOM 262 C ARG A 20 0.510 -7.696 4.763 1.00 0.00 C ATOM 263 O ARG A 20 0.728 -6.724 4.041 1.00 0.00 O ATOM 264 CB ARG A 20 -1.823 -7.166 5.466 1.00 0.00 C ATOM 265 CG ARG A 20 -2.902 -7.541 6.484 1.00 0.00 C ATOM 266 CD ARG A 20 -4.117 -6.618 6.361 1.00 0.00 C ATOM 267 NE ARG A 20 -4.630 -6.276 7.706 1.00 0.00 N ATOM 268 CZ ARG A 20 -5.418 -5.223 7.963 1.00 0.00 C ATOM 269 NH1 ARG A 20 -5.788 -4.404 6.970 1.00 0.00 N ATOM 270 NH2 ARG A 20 -5.836 -4.989 9.215 1.00 0.00 N ATOM 0 H ARG A 20 0.323 -5.710 6.528 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.514 -8.542 6.463 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.845 -6.091 5.287 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.033 -7.652 4.513 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.209 -8.575 6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.493 -7.478 7.492 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.841 -5.709 5.826 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.898 -7.107 5.778 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.368 -6.879 8.486 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.470 -4.582 6.017 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.388 -3.603 7.167 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.554 -5.612 9.972 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.436 -4.188 9.411 1.00 0.00 H new ATOM 284 N THR A 21 1.048 -8.895 4.590 1.00 0.00 N ATOM 285 CA THR A 21 1.965 -9.152 3.493 1.00 0.00 C ATOM 286 C THR A 21 1.194 -9.344 2.186 1.00 0.00 C ATOM 287 O THR A 21 0.174 -10.030 2.158 1.00 0.00 O ATOM 288 CB THR A 21 2.829 -10.357 3.871 1.00 0.00 C ATOM 289 OG1 THR A 21 3.898 -9.794 4.626 1.00 0.00 O ATOM 290 CG2 THR A 21 3.519 -10.987 2.660 1.00 0.00 C ATOM 0 H THR A 21 0.866 -9.699 5.191 1.00 0.00 H new ATOM 0 HA THR A 21 2.625 -8.301 3.322 1.00 0.00 H new ATOM 0 HB THR A 21 2.210 -11.106 4.365 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.506 -10.507 4.913 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.119 -11.837 2.985 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.767 -11.325 1.947 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.164 -10.249 2.184 1.00 0.00 H new ATOM 298 N PHE A 22 1.710 -8.724 1.135 1.00 0.00 N ATOM 299 CA PHE A 22 1.083 -8.818 -0.172 1.00 0.00 C ATOM 300 C PHE A 22 2.117 -9.129 -1.256 1.00 0.00 C ATOM 301 O PHE A 22 3.202 -8.549 -1.268 1.00 0.00 O ATOM 302 CB PHE A 22 0.449 -7.456 -0.463 1.00 0.00 C ATOM 303 CG PHE A 22 -0.761 -7.133 0.415 1.00 0.00 C ATOM 304 CD1 PHE A 22 -1.898 -7.870 0.304 1.00 0.00 C ATOM 305 CD2 PHE A 22 -0.700 -6.107 1.306 1.00 0.00 C ATOM 306 CE1 PHE A 22 -3.022 -7.570 1.119 1.00 0.00 C ATOM 307 CE2 PHE A 22 -1.823 -5.807 2.121 1.00 0.00 C ATOM 308 CZ PHE A 22 -2.960 -6.544 2.010 1.00 0.00 C ATOM 0 H PHE A 22 2.556 -8.154 1.162 1.00 0.00 H new ATOM 0 HA PHE A 22 0.344 -9.619 -0.173 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.202 -6.680 -0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.145 -7.424 -1.509 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.947 -8.684 -0.404 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.203 -5.521 1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.925 -8.156 1.031 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.774 -4.993 2.829 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.814 -6.315 2.630 1.00 0.00 H new ATOM 318 N ILE A 23 1.744 -10.042 -2.141 1.00 0.00 N ATOM 319 CA ILE A 23 2.626 -10.437 -3.226 1.00 0.00 C ATOM 320 C ILE A 23 2.054 -9.930 -4.552 1.00 0.00 C ATOM 321 O ILE A 23 1.094 -10.494 -5.074 1.00 0.00 O ATOM 322 CB ILE A 23 2.868 -11.947 -3.198 1.00 0.00 C ATOM 323 CG1 ILE A 23 3.539 -12.371 -1.890 1.00 0.00 C ATOM 324 CG2 ILE A 23 3.665 -12.398 -4.424 1.00 0.00 C ATOM 325 CD1 ILE A 23 5.042 -12.088 -1.928 1.00 0.00 C ATOM 0 H ILE A 23 0.843 -10.520 -2.129 1.00 0.00 H new ATOM 0 HA ILE A 23 3.608 -9.979 -3.105 1.00 0.00 H new ATOM 0 HB ILE A 23 1.901 -12.448 -3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.086 -11.837 -1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.370 -13.434 -1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.823 -13.476 -4.379 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.111 -12.150 -5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.629 -11.890 -4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.495 -12.399 -0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.496 -12.643 -2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.208 -11.021 -2.076 1.00 0.00 H new ATOM 337 N VAL A 24 2.668 -8.870 -5.058 1.00 0.00 N ATOM 338 CA VAL A 24 2.232 -8.281 -6.312 1.00 0.00 C ATOM 339 C VAL A 24 3.424 -8.187 -7.268 1.00 0.00 C ATOM 340 O VAL A 24 4.574 -8.285 -6.843 1.00 0.00 O ATOM 341 CB VAL A 24 1.567 -6.928 -6.052 1.00 0.00 C ATOM 342 CG1 VAL A 24 0.284 -7.097 -5.236 1.00 0.00 C ATOM 343 CG2 VAL A 24 2.534 -5.965 -5.360 1.00 0.00 C ATOM 0 H VAL A 24 3.464 -8.404 -4.622 1.00 0.00 H new ATOM 0 HA VAL A 24 1.481 -8.911 -6.789 1.00 0.00 H new ATOM 0 HB VAL A 24 1.298 -6.496 -7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.170 -6.121 -5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.414 -7.731 -5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.520 -7.560 -4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.036 -5.011 -5.187 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.849 -6.388 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.407 -5.809 -5.993 1.00 0.00 H new ATOM 353 N GLY A 25 3.108 -7.998 -8.540 1.00 0.00 N ATOM 354 CA GLY A 25 4.138 -7.890 -9.559 1.00 0.00 C ATOM 355 C GLY A 25 4.952 -6.607 -9.381 1.00 0.00 C ATOM 356 O GLY A 25 4.398 -5.509 -9.387 1.00 0.00 O ATOM 0 H GLY A 25 2.153 -7.917 -8.889 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.799 -8.755 -9.506 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.679 -7.900 -10.548 1.00 0.00 H new ATOM 360 N ALA A 26 6.256 -6.788 -9.227 1.00 0.00 N ATOM 361 CA ALA A 26 7.153 -5.659 -9.048 1.00 0.00 C ATOM 362 C ALA A 26 6.778 -4.554 -10.037 1.00 0.00 C ATOM 363 O ALA A 26 6.834 -3.371 -9.703 1.00 0.00 O ATOM 364 CB ALA A 26 8.600 -6.125 -9.215 1.00 0.00 C ATOM 0 H ALA A 26 6.713 -7.700 -9.223 1.00 0.00 H new ATOM 0 HA ALA A 26 7.057 -5.248 -8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.273 -5.278 -9.081 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.825 -6.888 -8.470 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.735 -6.541 -10.213 1.00 0.00 H new ATOM 370 N GLN A 27 6.405 -4.978 -11.236 1.00 0.00 N ATOM 371 CA GLN A 27 6.022 -4.039 -12.276 1.00 0.00 C ATOM 372 C GLN A 27 4.835 -3.190 -11.814 1.00 0.00 C ATOM 373 O GLN A 27 4.812 -1.980 -12.030 1.00 0.00 O ATOM 374 CB GLN A 27 5.699 -4.768 -13.581 1.00 0.00 C ATOM 375 CG GLN A 27 6.949 -5.433 -14.162 1.00 0.00 C ATOM 376 CD GLN A 27 6.924 -6.945 -13.930 1.00 0.00 C ATOM 377 OE1 GLN A 27 5.929 -7.519 -13.518 1.00 0.00 O ATOM 378 NE2 GLN A 27 8.070 -7.555 -14.217 1.00 0.00 N ATOM 0 H GLN A 27 6.360 -5.959 -11.510 1.00 0.00 H new ATOM 0 HA GLN A 27 6.865 -3.376 -12.468 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.932 -5.522 -13.401 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.289 -4.063 -14.304 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.012 -5.226 -15.230 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.840 -5.006 -13.702 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.864 -7.014 -14.558 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.155 -8.564 -14.096 1.00 0.00 H new ATOM 387 N MET A 28 3.879 -3.859 -11.187 1.00 0.00 N ATOM 388 CA MET A 28 2.692 -3.182 -10.693 1.00 0.00 C ATOM 389 C MET A 28 3.046 -1.812 -10.110 1.00 0.00 C ATOM 390 O MET A 28 4.140 -1.622 -9.581 1.00 0.00 O ATOM 391 CB MET A 28 2.026 -4.039 -9.615 1.00 0.00 C ATOM 392 CG MET A 28 0.762 -3.363 -9.081 1.00 0.00 C ATOM 393 SD MET A 28 0.034 -4.361 -7.792 1.00 0.00 S ATOM 394 CE MET A 28 -0.900 -5.515 -8.783 1.00 0.00 C ATOM 0 H MET A 28 3.902 -4.863 -11.010 1.00 0.00 H new ATOM 0 HA MET A 28 2.006 -3.035 -11.527 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.774 -5.016 -10.027 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.726 -4.209 -8.796 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.005 -2.374 -8.693 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.046 -3.221 -9.890 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.435 -6.205 -8.131 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.615 -4.970 -9.399 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.221 -6.076 -9.425 1.00 0.00 H new ATOM 404 N ASN A 29 2.099 -0.892 -10.227 1.00 0.00 N ATOM 405 CA ASN A 29 2.297 0.454 -9.719 1.00 0.00 C ATOM 406 C ASN A 29 1.492 0.631 -8.430 1.00 0.00 C ATOM 407 O ASN A 29 0.480 -0.038 -8.229 1.00 0.00 O ATOM 408 CB ASN A 29 1.812 1.500 -10.726 1.00 0.00 C ATOM 409 CG ASN A 29 0.434 1.131 -11.279 1.00 0.00 C ATOM 410 OD1 ASN A 29 -0.432 0.635 -10.578 1.00 0.00 O ATOM 411 ND2 ASN A 29 0.281 1.400 -12.573 1.00 0.00 N ATOM 0 H ASN A 29 1.193 -1.053 -10.666 1.00 0.00 H new ATOM 0 HA ASN A 29 3.363 0.593 -9.539 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.765 2.478 -10.246 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.527 1.581 -11.545 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.603 1.190 -13.036 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.048 1.816 -13.102 1.00 0.00 H new ATOM 418 N VAL A 30 1.973 1.536 -7.589 1.00 0.00 N ATOM 419 CA VAL A 30 1.311 1.809 -6.325 1.00 0.00 C ATOM 420 C VAL A 30 -0.201 1.884 -6.551 1.00 0.00 C ATOM 421 O VAL A 30 -0.973 1.278 -5.811 1.00 0.00 O ATOM 422 CB VAL A 30 1.885 3.082 -5.698 1.00 0.00 C ATOM 423 CG1 VAL A 30 1.095 3.482 -4.450 1.00 0.00 C ATOM 424 CG2 VAL A 30 3.371 2.912 -5.376 1.00 0.00 C ATOM 0 H VAL A 30 2.813 2.089 -7.759 1.00 0.00 H new ATOM 0 HA VAL A 30 1.494 1.002 -5.616 1.00 0.00 H new ATOM 0 HB VAL A 30 1.790 3.887 -6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.523 4.389 -4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.055 3.664 -4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.144 2.678 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.754 3.830 -4.932 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.499 2.088 -4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.920 2.696 -6.293 1.00 0.00 H new ATOM 434 N LYS A 31 -0.577 2.632 -7.578 1.00 0.00 N ATOM 435 CA LYS A 31 -1.982 2.794 -7.911 1.00 0.00 C ATOM 436 C LYS A 31 -2.662 1.423 -7.914 1.00 0.00 C ATOM 437 O LYS A 31 -3.541 1.160 -7.095 1.00 0.00 O ATOM 438 CB LYS A 31 -2.137 3.560 -9.226 1.00 0.00 C ATOM 439 CG LYS A 31 -3.596 3.570 -9.687 1.00 0.00 C ATOM 440 CD LYS A 31 -4.079 4.999 -9.944 1.00 0.00 C ATOM 441 CE LYS A 31 -4.812 5.097 -11.283 1.00 0.00 C ATOM 442 NZ LYS A 31 -5.025 6.513 -11.655 1.00 0.00 N ATOM 0 H LYS A 31 0.067 3.133 -8.190 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.485 3.399 -7.156 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.785 4.584 -9.098 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.513 3.102 -9.993 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.698 2.979 -10.597 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.224 3.101 -8.930 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.743 5.313 -9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.228 5.681 -9.940 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.234 4.594 -12.058 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.771 4.584 -11.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.524 6.561 -12.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.595 6.982 -10.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.106 6.992 -11.738 1.00 0.00 H new ATOM 456 N GLU A 32 -2.228 0.585 -8.845 1.00 0.00 N ATOM 457 CA GLU A 32 -2.784 -0.752 -8.966 1.00 0.00 C ATOM 458 C GLU A 32 -2.749 -1.466 -7.613 1.00 0.00 C ATOM 459 O GLU A 32 -3.774 -1.948 -7.135 1.00 0.00 O ATOM 460 CB GLU A 32 -2.041 -1.560 -10.031 1.00 0.00 C ATOM 461 CG GLU A 32 -2.500 -1.167 -11.437 1.00 0.00 C ATOM 462 CD GLU A 32 -1.935 -2.127 -12.486 1.00 0.00 C ATOM 463 OE1 GLU A 32 -0.713 -2.039 -12.736 1.00 0.00 O ATOM 464 OE2 GLU A 32 -2.737 -2.926 -13.015 1.00 0.00 O ATOM 0 H GLU A 32 -1.498 0.806 -9.522 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.823 -0.665 -9.282 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.968 -1.394 -9.935 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.215 -2.624 -9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.589 -1.172 -11.483 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.177 -0.150 -11.658 1.00 0.00 H new ATOM 471 N PHE A 33 -1.558 -1.510 -7.033 1.00 0.00 N ATOM 472 CA PHE A 33 -1.376 -2.156 -5.745 1.00 0.00 C ATOM 473 C PHE A 33 -2.495 -1.770 -4.775 1.00 0.00 C ATOM 474 O PHE A 33 -2.913 -2.581 -3.949 1.00 0.00 O ATOM 475 CB PHE A 33 -0.040 -1.667 -5.183 1.00 0.00 C ATOM 476 CG PHE A 33 0.374 -2.348 -3.878 1.00 0.00 C ATOM 477 CD1 PHE A 33 0.666 -3.677 -3.867 1.00 0.00 C ATOM 478 CD2 PHE A 33 0.450 -1.626 -2.728 1.00 0.00 C ATOM 479 CE1 PHE A 33 1.050 -4.310 -2.655 1.00 0.00 C ATOM 480 CE2 PHE A 33 0.834 -2.259 -1.516 1.00 0.00 C ATOM 481 CZ PHE A 33 1.126 -3.587 -1.505 1.00 0.00 C ATOM 0 H PHE A 33 -0.710 -1.108 -7.432 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.394 -3.239 -5.867 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.738 -1.831 -5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.100 -0.591 -5.016 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.606 -4.251 -4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.218 -0.571 -2.736 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.282 -5.365 -2.646 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.894 -1.685 -0.603 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.418 -4.068 -0.583 1.00 0.00 H new ATOM 491 N LYS A 34 -2.949 -0.533 -4.907 1.00 0.00 N ATOM 492 CA LYS A 34 -4.011 -0.030 -4.053 1.00 0.00 C ATOM 493 C LYS A 34 -5.326 -0.719 -4.423 1.00 0.00 C ATOM 494 O LYS A 34 -6.102 -1.094 -3.545 1.00 0.00 O ATOM 495 CB LYS A 34 -4.076 1.497 -4.122 1.00 0.00 C ATOM 496 CG LYS A 34 -2.755 2.124 -3.673 1.00 0.00 C ATOM 497 CD LYS A 34 -2.481 3.426 -4.428 1.00 0.00 C ATOM 498 CE LYS A 34 -1.903 4.490 -3.493 1.00 0.00 C ATOM 499 NZ LYS A 34 -2.977 5.104 -2.680 1.00 0.00 N ATOM 0 H LYS A 34 -2.601 0.136 -5.593 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.807 -0.270 -3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.302 1.809 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.887 1.859 -3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.788 2.321 -2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.939 1.422 -3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.784 3.237 -5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.405 3.793 -4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.155 4.041 -2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.396 5.258 -4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.949 6.138 -2.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.900 4.746 -2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.837 4.860 -1.679 1.00 0.00 H new ATOM 513 N GLU A 35 -5.536 -0.864 -5.723 1.00 0.00 N ATOM 514 CA GLU A 35 -6.744 -1.501 -6.219 1.00 0.00 C ATOM 515 C GLU A 35 -6.745 -2.989 -5.860 1.00 0.00 C ATOM 516 O GLU A 35 -7.805 -3.583 -5.666 1.00 0.00 O ATOM 517 CB GLU A 35 -6.888 -1.302 -7.729 1.00 0.00 C ATOM 518 CG GLU A 35 -6.902 0.186 -8.087 1.00 0.00 C ATOM 519 CD GLU A 35 -7.506 0.410 -9.474 1.00 0.00 C ATOM 520 OE1 GLU A 35 -8.741 0.254 -9.587 1.00 0.00 O ATOM 521 OE2 GLU A 35 -6.720 0.734 -10.390 1.00 0.00 O ATOM 0 H GLU A 35 -4.890 -0.551 -6.448 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.603 -1.031 -5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.065 -1.796 -8.245 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.809 -1.772 -8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.477 0.737 -7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.886 0.580 -8.061 1.00 0.00 H new ATOM 528 N HIS A 36 -5.546 -3.547 -5.781 1.00 0.00 N ATOM 529 CA HIS A 36 -5.396 -4.953 -5.449 1.00 0.00 C ATOM 530 C HIS A 36 -5.800 -5.182 -3.991 1.00 0.00 C ATOM 531 O HIS A 36 -6.729 -5.939 -3.712 1.00 0.00 O ATOM 532 CB HIS A 36 -3.976 -5.435 -5.753 1.00 0.00 C ATOM 533 CG HIS A 36 -3.693 -6.844 -5.291 1.00 0.00 C ATOM 534 ND1 HIS A 36 -2.758 -7.327 -4.423 1.00 0.00 N flip ATOM 535 CD2 HIS A 36 -4.418 -7.937 -5.732 1.00 0.00 C flip ATOM 536 CE1 HIS A 36 -2.904 -8.643 -4.338 1.00 0.00 C flip ATOM 537 NE2 HIS A 36 -3.932 -9.024 -5.149 1.00 0.00 N flip ATOM 0 H HIS A 36 -4.669 -3.051 -5.941 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.061 -5.550 -6.073 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.805 -5.375 -6.828 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.265 -4.759 -5.279 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.240 -7.909 -6.432 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.307 -9.304 -3.727 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.268 -9.978 -5.283 1.00 0.00 H new ATOM 545 N ILE A 37 -5.083 -4.514 -3.100 1.00 0.00 N ATOM 546 CA ILE A 37 -5.355 -4.635 -1.678 1.00 0.00 C ATOM 547 C ILE A 37 -6.704 -3.985 -1.364 1.00 0.00 C ATOM 548 O ILE A 37 -7.374 -4.370 -0.407 1.00 0.00 O ATOM 549 CB ILE A 37 -4.193 -4.066 -0.860 1.00 0.00 C ATOM 550 CG1 ILE A 37 -4.166 -2.538 -0.936 1.00 0.00 C ATOM 551 CG2 ILE A 37 -2.863 -4.685 -1.292 1.00 0.00 C ATOM 552 CD1 ILE A 37 -3.403 -1.943 0.250 1.00 0.00 C ATOM 0 H ILE A 37 -4.314 -3.887 -3.335 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.432 -5.684 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.348 -4.334 0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.697 -2.225 -1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.186 -2.153 -0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.054 -4.263 -0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.899 -5.764 -1.144 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.687 -4.469 -2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.399 -0.856 0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.889 -2.238 1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.377 -2.311 0.244 1.00 0.00 H new ATOM 564 N ALA A 38 -7.062 -3.012 -2.188 1.00 0.00 N ATOM 565 CA ALA A 38 -8.320 -2.306 -2.011 1.00 0.00 C ATOM 566 C ALA A 38 -9.413 -3.307 -1.635 1.00 0.00 C ATOM 567 O ALA A 38 -10.356 -2.964 -0.923 1.00 0.00 O ATOM 568 CB ALA A 38 -8.654 -1.529 -3.286 1.00 0.00 C ATOM 0 H ALA A 38 -6.503 -2.695 -2.980 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.243 -1.582 -1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.598 -1.000 -3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.861 -0.810 -3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.742 -2.223 -4.122 1.00 0.00 H new ATOM 574 N ALA A 39 -9.252 -4.526 -2.130 1.00 0.00 N ATOM 575 CA ALA A 39 -10.214 -5.579 -1.855 1.00 0.00 C ATOM 576 C ALA A 39 -10.056 -6.042 -0.405 1.00 0.00 C ATOM 577 O ALA A 39 -11.019 -6.040 0.359 1.00 0.00 O ATOM 578 CB ALA A 39 -10.021 -6.720 -2.856 1.00 0.00 C ATOM 0 H ALA A 39 -8.469 -4.807 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.233 -5.210 -1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.743 -7.511 -2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.172 -6.345 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.011 -7.118 -2.764 1.00 0.00 H new ATOM 584 N SER A 40 -8.833 -6.428 -0.071 1.00 0.00 N ATOM 585 CA SER A 40 -8.537 -6.893 1.274 1.00 0.00 C ATOM 586 C SER A 40 -8.787 -5.770 2.282 1.00 0.00 C ATOM 587 O SER A 40 -9.652 -5.890 3.148 1.00 0.00 O ATOM 588 CB SER A 40 -7.094 -7.390 1.379 1.00 0.00 C ATOM 589 OG SER A 40 -6.980 -8.772 1.052 1.00 0.00 O ATOM 0 H SER A 40 -8.036 -6.428 -0.708 1.00 0.00 H new ATOM 0 HA SER A 40 -9.198 -7.730 1.501 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.460 -6.806 0.712 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.727 -7.226 2.392 1.00 0.00 H new ATOM 0 HG SER A 40 -6.044 -9.050 1.129 1.00 0.00 H new ATOM 595 N VAL A 41 -8.013 -4.704 2.137 1.00 0.00 N ATOM 596 CA VAL A 41 -8.140 -3.561 3.024 1.00 0.00 C ATOM 597 C VAL A 41 -9.590 -3.073 3.017 1.00 0.00 C ATOM 598 O VAL A 41 -10.079 -2.555 4.020 1.00 0.00 O ATOM 599 CB VAL A 41 -7.141 -2.473 2.622 1.00 0.00 C ATOM 600 CG1 VAL A 41 -5.703 -2.987 2.718 1.00 0.00 C ATOM 601 CG2 VAL A 41 -7.442 -1.944 1.219 1.00 0.00 C ATOM 0 H VAL A 41 -7.296 -4.608 1.418 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.898 -3.844 4.048 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.248 -1.644 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.013 -2.195 2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.493 -3.292 3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.577 -3.841 2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.718 -1.172 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.377 -2.761 0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.446 -1.521 1.197 1.00 0.00 H new ATOM 611 N SER A 42 -10.236 -3.256 1.876 1.00 0.00 N ATOM 612 CA SER A 42 -11.621 -2.841 1.725 1.00 0.00 C ATOM 613 C SER A 42 -11.701 -1.318 1.609 1.00 0.00 C ATOM 614 O SER A 42 -12.719 -0.718 1.950 1.00 0.00 O ATOM 615 CB SER A 42 -12.473 -3.330 2.897 1.00 0.00 C ATOM 616 OG SER A 42 -13.786 -3.701 2.485 1.00 0.00 O ATOM 0 H SER A 42 -9.827 -3.686 1.047 1.00 0.00 H new ATOM 0 HA SER A 42 -12.015 -3.289 0.813 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.986 -4.184 3.368 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.538 -2.545 3.650 1.00 0.00 H new ATOM 0 HG SER A 42 -14.298 -4.009 3.262 1.00 0.00 H new ATOM 622 N ILE A 43 -10.613 -0.735 1.127 1.00 0.00 N ATOM 623 CA ILE A 43 -10.547 0.707 0.963 1.00 0.00 C ATOM 624 C ILE A 43 -10.219 1.036 -0.495 1.00 0.00 C ATOM 625 O ILE A 43 -9.424 0.342 -1.128 1.00 0.00 O ATOM 626 CB ILE A 43 -9.566 1.317 1.966 1.00 0.00 C ATOM 627 CG1 ILE A 43 -9.999 1.024 3.404 1.00 0.00 C ATOM 628 CG2 ILE A 43 -9.386 2.816 1.715 1.00 0.00 C ATOM 629 CD1 ILE A 43 -8.925 1.464 4.400 1.00 0.00 C ATOM 0 H ILE A 43 -9.770 -1.235 0.845 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.514 1.159 1.183 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.593 0.848 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.934 1.542 3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.192 -0.043 3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.684 3.225 2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.999 2.972 0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.347 3.320 1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.258 1.245 5.414 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.999 0.926 4.198 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.752 2.535 4.299 1.00 0.00 H new ATOM 641 N PRO A 44 -10.866 2.121 -1.000 1.00 0.00 N ATOM 642 CA PRO A 44 -10.651 2.549 -2.371 1.00 0.00 C ATOM 643 C PRO A 44 -9.295 3.243 -2.523 1.00 0.00 C ATOM 644 O PRO A 44 -8.854 3.954 -1.622 1.00 0.00 O ATOM 645 CB PRO A 44 -11.824 3.463 -2.686 1.00 0.00 C ATOM 646 CG PRO A 44 -12.399 3.882 -1.343 1.00 0.00 C ATOM 647 CD PRO A 44 -11.814 2.966 -0.280 1.00 0.00 C ATOM 0 HA PRO A 44 -10.614 1.714 -3.071 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.499 4.331 -3.260 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.572 2.945 -3.287 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.151 4.922 -1.129 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.486 3.809 -1.354 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.319 3.537 0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.590 2.370 0.200 1.00 0.00 H new ATOM 655 N SER A 45 -8.673 3.011 -3.670 1.00 0.00 N ATOM 656 CA SER A 45 -7.377 3.604 -3.951 1.00 0.00 C ATOM 657 C SER A 45 -7.420 5.109 -3.678 1.00 0.00 C ATOM 658 O SER A 45 -6.527 5.651 -3.028 1.00 0.00 O ATOM 659 CB SER A 45 -6.952 3.339 -5.397 1.00 0.00 C ATOM 660 OG SER A 45 -7.539 4.268 -6.305 1.00 0.00 O ATOM 0 H SER A 45 -9.043 2.421 -4.415 1.00 0.00 H new ATOM 0 HA SER A 45 -6.640 3.143 -3.294 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.866 3.396 -5.472 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.238 2.326 -5.679 1.00 0.00 H new ATOM 0 HG SER A 45 -7.242 4.066 -7.217 1.00 0.00 H new ATOM 666 N GLU A 46 -8.467 5.741 -4.187 1.00 0.00 N ATOM 667 CA GLU A 46 -8.638 7.172 -4.007 1.00 0.00 C ATOM 668 C GLU A 46 -8.630 7.524 -2.517 1.00 0.00 C ATOM 669 O GLU A 46 -8.418 8.678 -2.149 1.00 0.00 O ATOM 670 CB GLU A 46 -9.923 7.660 -4.678 1.00 0.00 C ATOM 671 CG GLU A 46 -11.143 6.915 -4.134 1.00 0.00 C ATOM 672 CD GLU A 46 -12.430 7.697 -4.406 1.00 0.00 C ATOM 673 OE1 GLU A 46 -12.552 8.213 -5.538 1.00 0.00 O ATOM 674 OE2 GLU A 46 -13.262 7.761 -3.476 1.00 0.00 O ATOM 0 H GLU A 46 -9.206 5.288 -4.724 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.802 7.681 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.041 8.730 -4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.853 7.513 -5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.208 5.930 -4.596 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.029 6.757 -3.062 1.00 0.00 H new ATOM 681 N LYS A 47 -8.865 6.507 -1.701 1.00 0.00 N ATOM 682 CA LYS A 47 -8.887 6.694 -0.260 1.00 0.00 C ATOM 683 C LYS A 47 -7.537 6.277 0.325 1.00 0.00 C ATOM 684 O LYS A 47 -7.125 6.783 1.368 1.00 0.00 O ATOM 685 CB LYS A 47 -10.079 5.959 0.357 1.00 0.00 C ATOM 686 CG LYS A 47 -11.285 6.890 0.497 1.00 0.00 C ATOM 687 CD LYS A 47 -12.217 6.415 1.613 1.00 0.00 C ATOM 688 CE LYS A 47 -13.631 6.174 1.080 1.00 0.00 C ATOM 689 NZ LYS A 47 -14.561 7.204 1.593 1.00 0.00 N ATOM 0 H LYS A 47 -9.042 5.551 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.029 7.746 -0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.345 5.104 -0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.802 5.567 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.944 7.903 0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.831 6.929 -0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.828 5.496 2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.246 7.159 2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.623 6.193 -0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.975 5.184 1.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.516 7.025 1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.581 7.167 2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.241 8.145 1.286 1.00 0.00 H new ATOM 703 N GLN A 48 -6.885 5.357 -0.371 1.00 0.00 N ATOM 704 CA GLN A 48 -5.589 4.866 0.067 1.00 0.00 C ATOM 705 C GLN A 48 -4.538 5.972 -0.042 1.00 0.00 C ATOM 706 O GLN A 48 -4.745 6.964 -0.738 1.00 0.00 O ATOM 707 CB GLN A 48 -5.172 3.631 -0.735 1.00 0.00 C ATOM 708 CG GLN A 48 -5.902 2.382 -0.239 1.00 0.00 C ATOM 709 CD GLN A 48 -5.411 1.132 -0.972 1.00 0.00 C ATOM 710 OE1 GLN A 48 -4.240 0.791 -0.954 1.00 0.00 O ATOM 711 NE2 GLN A 48 -6.369 0.471 -1.615 1.00 0.00 N ATOM 0 H GLN A 48 -7.230 4.939 -1.235 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.668 4.570 1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.390 3.788 -1.791 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.095 3.485 -0.650 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.743 2.265 0.833 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.975 2.499 -0.391 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.330 0.812 -1.589 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.143 -0.377 -2.134 1.00 0.00 H new ATOM 720 N ARG A 49 -3.432 5.763 0.657 1.00 0.00 N ATOM 721 CA ARG A 49 -2.347 6.730 0.648 1.00 0.00 C ATOM 722 C ARG A 49 -1.082 6.115 1.249 1.00 0.00 C ATOM 723 O ARG A 49 -0.703 6.441 2.373 1.00 0.00 O ATOM 724 CB ARG A 49 -2.722 7.985 1.439 1.00 0.00 C ATOM 725 CG ARG A 49 -1.588 9.012 1.407 1.00 0.00 C ATOM 726 CD ARG A 49 -1.904 10.206 2.311 1.00 0.00 C ATOM 727 NE ARG A 49 -0.987 11.327 2.007 1.00 0.00 N ATOM 728 CZ ARG A 49 -1.244 12.609 2.301 1.00 0.00 C ATOM 729 NH1 ARG A 49 -2.392 12.939 2.910 1.00 0.00 N ATOM 730 NH2 ARG A 49 -0.354 13.560 1.988 1.00 0.00 N ATOM 0 H ARG A 49 -3.264 4.938 1.233 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.161 7.010 -0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.628 8.425 1.022 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.945 7.716 2.471 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.659 8.543 1.730 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.433 9.356 0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.937 10.520 2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.804 9.917 3.357 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.104 11.110 1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.069 12.215 3.149 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.588 13.915 3.134 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.520 13.309 1.526 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.550 14.536 2.212 1.00 0.00 H new ATOM 744 N LEU A 50 -0.464 5.235 0.475 1.00 0.00 N ATOM 745 CA LEU A 50 0.750 4.572 0.917 1.00 0.00 C ATOM 746 C LEU A 50 1.801 5.625 1.274 1.00 0.00 C ATOM 747 O LEU A 50 2.093 6.511 0.474 1.00 0.00 O ATOM 748 CB LEU A 50 1.222 3.563 -0.133 1.00 0.00 C ATOM 749 CG LEU A 50 0.192 2.520 -0.572 1.00 0.00 C ATOM 750 CD1 LEU A 50 0.793 1.555 -1.596 1.00 0.00 C ATOM 751 CD2 LEU A 50 -0.392 1.785 0.636 1.00 0.00 C ATOM 0 H LEU A 50 -0.782 4.966 -0.456 1.00 0.00 H new ATOM 0 HA LEU A 50 0.560 3.992 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.551 4.113 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.094 3.040 0.260 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.632 3.038 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.041 0.824 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.121 2.113 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.646 1.040 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.121 1.049 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.409 1.280 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.880 2.501 1.297 1.00 0.00 H new ATOM 763 N ILE A 51 2.340 5.492 2.478 1.00 0.00 N ATOM 764 CA ILE A 51 3.351 6.422 2.951 1.00 0.00 C ATOM 765 C ILE A 51 4.489 5.638 3.609 1.00 0.00 C ATOM 766 O ILE A 51 4.254 4.833 4.508 1.00 0.00 O ATOM 767 CB ILE A 51 2.724 7.478 3.863 1.00 0.00 C ATOM 768 CG1 ILE A 51 1.708 8.328 3.099 1.00 0.00 C ATOM 769 CG2 ILE A 51 3.801 8.335 4.531 1.00 0.00 C ATOM 770 CD1 ILE A 51 0.599 8.826 4.029 1.00 0.00 C ATOM 0 H ILE A 51 2.095 4.755 3.139 1.00 0.00 H new ATOM 0 HA ILE A 51 3.783 6.973 2.116 1.00 0.00 H new ATOM 0 HB ILE A 51 2.182 6.965 4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.212 9.179 2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.273 7.741 2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.328 9.078 5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.453 7.699 5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.391 8.840 3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.110 9.428 3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.081 7.973 4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.035 9.433 4.823 1.00 0.00 H new ATOM 782 N TYR A 52 5.698 5.903 3.135 1.00 0.00 N ATOM 783 CA TYR A 52 6.873 5.233 3.666 1.00 0.00 C ATOM 784 C TYR A 52 7.830 6.235 4.313 1.00 0.00 C ATOM 785 O TYR A 52 8.298 7.165 3.657 1.00 0.00 O ATOM 786 CB TYR A 52 7.567 4.584 2.466 1.00 0.00 C ATOM 787 CG TYR A 52 8.564 3.486 2.843 1.00 0.00 C ATOM 788 CD1 TYR A 52 9.616 3.770 3.690 1.00 0.00 C ATOM 789 CD2 TYR A 52 8.410 2.212 2.336 1.00 0.00 C ATOM 790 CE1 TYR A 52 10.554 2.737 4.044 1.00 0.00 C ATOM 791 CE2 TYR A 52 9.349 1.179 2.690 1.00 0.00 C ATOM 792 CZ TYR A 52 10.374 1.492 3.527 1.00 0.00 C ATOM 793 OH TYR A 52 11.260 0.516 3.861 1.00 0.00 O ATOM 0 H TYR A 52 5.889 6.572 2.389 1.00 0.00 H new ATOM 0 HA TYR A 52 6.589 4.507 4.428 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.809 4.162 1.806 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.089 5.356 1.900 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.735 4.767 4.087 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.586 1.990 1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 52 11.382 2.946 4.705 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.241 0.178 2.299 1.00 0.00 H new ATOM 0 HH TYR A 52 11.616 0.690 4.757 1.00 0.00 H new ATOM 803 N GLN A 53 8.093 6.013 5.593 1.00 0.00 N ATOM 804 CA GLN A 53 8.986 6.885 6.336 1.00 0.00 C ATOM 805 C GLN A 53 8.302 8.223 6.626 1.00 0.00 C ATOM 806 O GLN A 53 8.045 8.554 7.782 1.00 0.00 O ATOM 807 CB GLN A 53 10.301 7.094 5.582 1.00 0.00 C ATOM 808 CG GLN A 53 11.475 6.480 6.347 1.00 0.00 C ATOM 809 CD GLN A 53 12.001 7.444 7.412 1.00 0.00 C ATOM 810 OE1 GLN A 53 12.478 8.529 7.123 1.00 0.00 O ATOM 811 NE2 GLN A 53 11.887 6.990 8.657 1.00 0.00 N ATOM 0 H GLN A 53 7.703 5.241 6.134 1.00 0.00 H new ATOM 0 HA GLN A 53 9.222 6.406 7.286 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.232 6.644 4.592 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.475 8.160 5.436 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.159 5.549 6.818 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.276 6.229 5.651 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.478 6.072 8.830 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.209 7.560 9.439 1.00 0.00 H new ATOM 820 N GLY A 54 8.027 8.954 5.556 1.00 0.00 N ATOM 821 CA GLY A 54 7.377 10.248 5.682 1.00 0.00 C ATOM 822 C GLY A 54 7.114 10.865 4.307 1.00 0.00 C ATOM 823 O GLY A 54 7.174 12.083 4.147 1.00 0.00 O ATOM 0 H GLY A 54 8.242 8.676 4.599 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.436 10.135 6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.003 10.918 6.271 1.00 0.00 H new ATOM 827 N ARG A 55 6.827 9.995 3.349 1.00 0.00 N ATOM 828 CA ARG A 55 6.554 10.439 1.992 1.00 0.00 C ATOM 829 C ARG A 55 5.367 9.670 1.411 1.00 0.00 C ATOM 830 O ARG A 55 5.255 8.459 1.597 1.00 0.00 O ATOM 831 CB ARG A 55 7.774 10.238 1.091 1.00 0.00 C ATOM 832 CG ARG A 55 8.570 11.537 0.947 1.00 0.00 C ATOM 833 CD ARG A 55 9.557 11.449 -0.219 1.00 0.00 C ATOM 834 NE ARG A 55 10.938 11.656 0.271 1.00 0.00 N ATOM 835 CZ ARG A 55 11.452 12.852 0.586 1.00 0.00 C ATOM 836 NH1 ARG A 55 10.703 13.957 0.464 1.00 0.00 N ATOM 837 NH2 ARG A 55 12.716 12.945 1.022 1.00 0.00 N ATOM 0 H ARG A 55 6.778 8.985 3.486 1.00 0.00 H new ATOM 0 HA ARG A 55 6.318 11.502 2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.414 9.460 1.507 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.452 9.894 0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.886 12.371 0.787 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.111 11.741 1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.476 10.475 -0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.313 12.200 -0.971 1.00 0.00 H new ATOM 0 HE ARG A 55 11.536 10.836 0.375 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.741 13.887 0.131 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.095 14.868 0.704 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.287 12.105 1.114 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.107 13.856 1.262 1.00 0.00 H new ATOM 851 N VAL A 56 4.509 10.404 0.718 1.00 0.00 N ATOM 852 CA VAL A 56 3.334 9.806 0.108 1.00 0.00 C ATOM 853 C VAL A 56 3.734 9.130 -1.205 1.00 0.00 C ATOM 854 O VAL A 56 4.086 9.804 -2.172 1.00 0.00 O ATOM 855 CB VAL A 56 2.242 10.863 -0.073 1.00 0.00 C ATOM 856 CG1 VAL A 56 2.618 11.857 -1.173 1.00 0.00 C ATOM 857 CG2 VAL A 56 0.889 10.210 -0.362 1.00 0.00 C ATOM 0 H VAL A 56 4.604 11.408 0.565 1.00 0.00 H new ATOM 0 HA VAL A 56 2.918 9.036 0.757 1.00 0.00 H new ATOM 0 HB VAL A 56 2.153 11.416 0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.825 12.597 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.549 12.358 -0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.748 11.325 -2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.131 10.983 -0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.958 9.619 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.613 9.562 0.470 1.00 0.00 H new ATOM 867 N LEU A 57 3.667 7.807 -1.197 1.00 0.00 N ATOM 868 CA LEU A 57 4.018 7.032 -2.375 1.00 0.00 C ATOM 869 C LEU A 57 3.050 7.372 -3.510 1.00 0.00 C ATOM 870 O LEU A 57 1.839 7.210 -3.367 1.00 0.00 O ATOM 871 CB LEU A 57 4.073 5.541 -2.039 1.00 0.00 C ATOM 872 CG LEU A 57 4.966 5.152 -0.859 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.436 3.898 -0.160 1.00 0.00 C ATOM 874 CD2 LEU A 57 6.421 4.989 -1.303 1.00 0.00 C ATOM 0 H LEU A 57 3.375 7.252 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 57 5.018 7.294 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.060 5.198 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.416 5.002 -2.922 1.00 0.00 H new ATOM 0 HG LEU A 57 4.941 5.962 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.089 3.643 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.429 4.087 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.412 3.069 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.034 4.712 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.485 4.209 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.782 5.930 -1.719 1.00 0.00 H new ATOM 886 N GLN A 58 3.620 7.836 -4.612 1.00 0.00 N ATOM 887 CA GLN A 58 2.823 8.199 -5.771 1.00 0.00 C ATOM 888 C GLN A 58 2.109 6.967 -6.332 1.00 0.00 C ATOM 889 O GLN A 58 2.680 5.879 -6.372 1.00 0.00 O ATOM 890 CB GLN A 58 3.686 8.868 -6.843 1.00 0.00 C ATOM 891 CG GLN A 58 3.598 10.392 -6.746 1.00 0.00 C ATOM 892 CD GLN A 58 3.890 10.868 -5.321 1.00 0.00 C ATOM 893 OE1 GLN A 58 4.661 10.274 -4.586 1.00 0.00 O ATOM 894 NE2 GLN A 58 3.231 11.971 -4.974 1.00 0.00 N ATOM 0 H GLN A 58 4.625 7.969 -4.727 1.00 0.00 H new ATOM 0 HA GLN A 58 2.069 8.920 -5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.723 8.552 -6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.361 8.544 -7.831 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.308 10.846 -7.438 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.604 10.722 -7.047 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.600 12.419 -5.639 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.357 12.369 -4.043 1.00 0.00 H new ATOM 903 N ASP A 59 0.870 7.180 -6.751 1.00 0.00 N ATOM 904 CA ASP A 59 0.073 6.101 -7.308 1.00 0.00 C ATOM 905 C ASP A 59 0.687 5.651 -8.635 1.00 0.00 C ATOM 906 O ASP A 59 0.594 4.480 -9.001 1.00 0.00 O ATOM 907 CB ASP A 59 -1.361 6.560 -7.582 1.00 0.00 C ATOM 908 CG ASP A 59 -1.864 7.685 -6.675 1.00 0.00 C ATOM 909 OD1 ASP A 59 -1.144 8.702 -6.579 1.00 0.00 O ATOM 910 OD2 ASP A 59 -2.958 7.502 -6.098 1.00 0.00 O ATOM 0 H ASP A 59 0.399 8.084 -6.716 1.00 0.00 H new ATOM 0 HA ASP A 59 0.059 5.285 -6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.429 6.891 -8.618 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.027 5.704 -7.477 1.00 0.00 H new ATOM 915 N ASP A 60 1.300 6.605 -9.320 1.00 0.00 N ATOM 916 CA ASP A 60 1.929 6.321 -10.599 1.00 0.00 C ATOM 917 C ASP A 60 3.211 5.518 -10.365 1.00 0.00 C ATOM 918 O ASP A 60 3.528 4.612 -11.133 1.00 0.00 O ATOM 919 CB ASP A 60 2.307 7.613 -11.326 1.00 0.00 C ATOM 920 CG ASP A 60 2.553 7.462 -12.828 1.00 0.00 C ATOM 921 OD1 ASP A 60 3.339 6.558 -13.187 1.00 0.00 O ATOM 922 OD2 ASP A 60 1.949 8.253 -13.585 1.00 0.00 O ATOM 0 H ASP A 60 1.375 7.575 -9.014 1.00 0.00 H new ATOM 0 HA ASP A 60 1.219 5.760 -11.206 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.512 8.343 -11.175 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.206 8.022 -10.865 1.00 0.00 H new ATOM 927 N LYS A 61 3.912 5.880 -9.301 1.00 0.00 N ATOM 928 CA LYS A 61 5.152 5.205 -8.956 1.00 0.00 C ATOM 929 C LYS A 61 4.872 3.718 -8.734 1.00 0.00 C ATOM 930 O LYS A 61 3.716 3.304 -8.657 1.00 0.00 O ATOM 931 CB LYS A 61 5.821 5.890 -7.763 1.00 0.00 C ATOM 932 CG LYS A 61 6.899 6.872 -8.228 1.00 0.00 C ATOM 933 CD LYS A 61 8.298 6.294 -8.008 1.00 0.00 C ATOM 934 CE LYS A 61 9.292 7.394 -7.630 1.00 0.00 C ATOM 935 NZ LYS A 61 10.515 6.807 -7.038 1.00 0.00 N ATOM 0 H LYS A 61 3.645 6.632 -8.666 1.00 0.00 H new ATOM 0 HA LYS A 61 5.866 5.277 -9.776 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.071 6.419 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.266 5.139 -7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.758 7.099 -9.285 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.800 7.811 -7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.265 5.542 -7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.634 5.791 -8.915 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.552 7.976 -8.514 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.831 8.081 -6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.254 7.536 -6.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.302 6.447 -6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.850 6.025 -7.637 1.00 0.00 H new ATOM 949 N LYS A 62 5.950 2.954 -8.637 1.00 0.00 N ATOM 950 CA LYS A 62 5.836 1.521 -8.426 1.00 0.00 C ATOM 951 C LYS A 62 6.474 1.155 -7.084 1.00 0.00 C ATOM 952 O LYS A 62 7.351 1.866 -6.595 1.00 0.00 O ATOM 953 CB LYS A 62 6.422 0.755 -9.614 1.00 0.00 C ATOM 954 CG LYS A 62 5.774 1.200 -10.926 1.00 0.00 C ATOM 955 CD LYS A 62 6.666 0.859 -12.121 1.00 0.00 C ATOM 956 CE LYS A 62 5.857 0.831 -13.420 1.00 0.00 C ATOM 957 NZ LYS A 62 6.748 0.999 -14.589 1.00 0.00 N ATOM 0 H LYS A 62 6.907 3.301 -8.701 1.00 0.00 H new ATOM 0 HA LYS A 62 4.788 1.227 -8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.499 0.919 -9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.269 -0.315 -9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.805 0.714 -11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.591 2.274 -10.899 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.467 1.594 -12.203 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.138 -0.110 -11.962 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.318 -0.113 -13.499 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.110 1.625 -13.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.183 0.978 -15.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.244 1.911 -14.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.444 0.227 -14.608 1.00 0.00 H new ATOM 971 N LEU A 63 6.008 0.048 -6.525 1.00 0.00 N ATOM 972 CA LEU A 63 6.521 -0.420 -5.249 1.00 0.00 C ATOM 973 C LEU A 63 8.034 -0.625 -5.358 1.00 0.00 C ATOM 974 O LEU A 63 8.803 0.005 -4.634 1.00 0.00 O ATOM 975 CB LEU A 63 5.763 -1.668 -4.792 1.00 0.00 C ATOM 976 CG LEU A 63 4.283 -1.731 -5.174 1.00 0.00 C ATOM 977 CD1 LEU A 63 3.668 -0.330 -5.221 1.00 0.00 C ATOM 978 CD2 LEU A 63 4.089 -2.486 -6.490 1.00 0.00 C ATOM 0 H LEU A 63 5.280 -0.539 -6.933 1.00 0.00 H new ATOM 0 HA LEU A 63 6.354 0.328 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.262 -2.544 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.841 -1.739 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 63 3.754 -2.289 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.616 -0.404 -5.495 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.756 0.139 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.194 0.274 -5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.028 -2.517 -6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.634 -1.977 -7.285 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.466 -3.503 -6.385 1.00 0.00 H new ATOM 990 N GLN A 64 8.415 -1.510 -6.268 1.00 0.00 N ATOM 991 CA GLN A 64 9.821 -1.806 -6.480 1.00 0.00 C ATOM 992 C GLN A 64 10.635 -0.511 -6.528 1.00 0.00 C ATOM 993 O GLN A 64 11.694 -0.416 -5.910 1.00 0.00 O ATOM 994 CB GLN A 64 10.022 -2.628 -7.755 1.00 0.00 C ATOM 995 CG GLN A 64 11.456 -3.155 -7.847 1.00 0.00 C ATOM 996 CD GLN A 64 11.788 -3.593 -9.275 1.00 0.00 C ATOM 997 OE1 GLN A 64 11.603 -2.863 -10.234 1.00 0.00 O ATOM 998 NE2 GLN A 64 12.288 -4.823 -9.361 1.00 0.00 N ATOM 0 H GLN A 64 7.774 -2.031 -6.866 1.00 0.00 H new ATOM 0 HA GLN A 64 10.177 -2.405 -5.641 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.322 -3.464 -7.767 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.800 -2.013 -8.627 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.153 -2.380 -7.529 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.583 -3.997 -7.166 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.417 -5.381 -8.517 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.542 -5.208 -10.271 1.00 0.00 H new ATOM 1007 N GLU A 65 10.109 0.453 -7.269 1.00 0.00 N ATOM 1008 CA GLU A 65 10.773 1.738 -7.406 1.00 0.00 C ATOM 1009 C GLU A 65 11.225 2.251 -6.037 1.00 0.00 C ATOM 1010 O GLU A 65 12.405 2.532 -5.834 1.00 0.00 O ATOM 1011 CB GLU A 65 9.864 2.755 -8.099 1.00 0.00 C ATOM 1012 CG GLU A 65 10.483 3.239 -9.412 1.00 0.00 C ATOM 1013 CD GLU A 65 11.854 3.875 -9.170 1.00 0.00 C ATOM 1014 OE1 GLU A 65 11.968 4.611 -8.165 1.00 0.00 O ATOM 1015 OE2 GLU A 65 12.755 3.611 -9.994 1.00 0.00 O ATOM 0 H GLU A 65 9.231 0.370 -7.781 1.00 0.00 H new ATOM 0 HA GLU A 65 11.655 1.603 -8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.891 2.304 -8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.693 3.605 -7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.584 2.401 -10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.820 3.964 -9.885 1.00 0.00 H new ATOM 1022 N TYR A 66 10.262 2.357 -5.133 1.00 0.00 N ATOM 1023 CA TYR A 66 10.546 2.831 -3.789 1.00 0.00 C ATOM 1024 C TYR A 66 11.407 1.824 -3.023 1.00 0.00 C ATOM 1025 O TYR A 66 12.094 2.188 -2.070 1.00 0.00 O ATOM 1026 CB TYR A 66 9.190 2.959 -3.092 1.00 0.00 C ATOM 1027 CG TYR A 66 8.356 4.151 -3.568 1.00 0.00 C ATOM 1028 CD1 TYR A 66 8.770 5.437 -3.289 1.00 0.00 C ATOM 1029 CD2 TYR A 66 7.191 3.938 -4.275 1.00 0.00 C ATOM 1030 CE1 TYR A 66 7.985 6.559 -3.737 1.00 0.00 C ATOM 1031 CE2 TYR A 66 6.406 5.059 -4.723 1.00 0.00 C ATOM 1032 CZ TYR A 66 6.842 6.314 -4.432 1.00 0.00 C ATOM 1033 OH TYR A 66 6.100 7.373 -4.855 1.00 0.00 O ATOM 0 H TYR A 66 9.284 2.123 -5.305 1.00 0.00 H new ATOM 0 HA TYR A 66 11.090 3.775 -3.822 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.622 2.043 -3.254 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.352 3.048 -2.018 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.682 5.603 -2.735 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.868 2.931 -4.493 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.297 7.571 -3.526 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.492 4.907 -5.277 1.00 0.00 H new ATOM 0 HH TYR A 66 6.640 7.934 -5.450 1.00 0.00 H new ATOM 1043 N ASN A 67 11.341 0.578 -3.468 1.00 0.00 N ATOM 1044 CA ASN A 67 12.105 -0.484 -2.837 1.00 0.00 C ATOM 1045 C ASN A 67 11.402 -0.916 -1.548 1.00 0.00 C ATOM 1046 O ASN A 67 12.044 -1.088 -0.514 1.00 0.00 O ATOM 1047 CB ASN A 67 13.512 -0.007 -2.470 1.00 0.00 C ATOM 1048 CG ASN A 67 14.552 -1.090 -2.764 1.00 0.00 C ATOM 1049 OD1 ASN A 67 14.233 -2.234 -3.044 1.00 0.00 O ATOM 1050 ND2 ASN A 67 15.810 -0.667 -2.684 1.00 0.00 N ATOM 0 H ASN A 67 10.770 0.280 -4.259 1.00 0.00 H new ATOM 0 HA ASN A 67 12.177 -1.312 -3.542 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.752 0.895 -3.032 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.546 0.258 -1.413 1.00 0.00 H new ATOM 0 HD21 ASN A 67 16.578 -1.314 -2.862 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.007 0.305 -2.445 1.00 0.00 H new ATOM 1057 N VAL A 68 10.091 -1.078 -1.653 1.00 0.00 N ATOM 1058 CA VAL A 68 9.294 -1.487 -0.510 1.00 0.00 C ATOM 1059 C VAL A 68 9.145 -3.010 -0.515 1.00 0.00 C ATOM 1060 O VAL A 68 8.176 -3.544 0.024 1.00 0.00 O ATOM 1061 CB VAL A 68 7.950 -0.755 -0.520 1.00 0.00 C ATOM 1062 CG1 VAL A 68 8.151 0.761 -0.472 1.00 0.00 C ATOM 1063 CG2 VAL A 68 7.115 -1.159 -1.736 1.00 0.00 C ATOM 0 H VAL A 68 9.561 -0.933 -2.513 1.00 0.00 H new ATOM 0 HA VAL A 68 9.792 -1.212 0.420 1.00 0.00 H new ATOM 0 HB VAL A 68 7.402 -1.049 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.180 1.257 -0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.688 1.028 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.728 1.079 -1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.165 -0.625 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.656 -0.908 -2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.928 -2.232 -1.708 1.00 0.00 H new ATOM 1073 N GLY A 69 10.118 -3.665 -1.129 1.00 0.00 N ATOM 1074 CA GLY A 69 10.108 -5.116 -1.212 1.00 0.00 C ATOM 1075 C GLY A 69 10.336 -5.745 0.164 1.00 0.00 C ATOM 1076 O GLY A 69 11.423 -5.635 0.728 1.00 0.00 O ATOM 0 H GLY A 69 10.919 -3.218 -1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.154 -5.454 -1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.883 -5.450 -1.902 1.00 0.00 H new ATOM 1080 N GLY A 70 9.293 -6.390 0.665 1.00 0.00 N ATOM 1081 CA GLY A 70 9.366 -7.037 1.964 1.00 0.00 C ATOM 1082 C GLY A 70 9.455 -6.002 3.087 1.00 0.00 C ATOM 1083 O GLY A 70 9.683 -6.354 4.244 1.00 0.00 O ATOM 0 H GLY A 70 8.392 -6.479 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.487 -7.665 2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.236 -7.693 1.999 1.00 0.00 H new ATOM 1087 N LYS A 71 9.270 -4.746 2.708 1.00 0.00 N ATOM 1088 CA LYS A 71 9.326 -3.658 3.669 1.00 0.00 C ATOM 1089 C LYS A 71 7.926 -3.406 4.230 1.00 0.00 C ATOM 1090 O LYS A 71 6.942 -3.938 3.717 1.00 0.00 O ATOM 1091 CB LYS A 71 9.968 -2.420 3.039 1.00 0.00 C ATOM 1092 CG LYS A 71 11.406 -2.710 2.604 1.00 0.00 C ATOM 1093 CD LYS A 71 12.370 -2.601 3.787 1.00 0.00 C ATOM 1094 CE LYS A 71 13.802 -2.932 3.360 1.00 0.00 C ATOM 1095 NZ LYS A 71 14.775 -2.242 4.236 1.00 0.00 N ATOM 0 H LYS A 71 9.081 -4.458 1.748 1.00 0.00 H new ATOM 0 HA LYS A 71 9.964 -3.926 4.511 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.381 -2.100 2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.959 -1.598 3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.465 -3.710 2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.702 -2.009 1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.333 -1.592 4.199 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.057 -3.280 4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.962 -4.009 3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.958 -2.630 2.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.742 -2.477 3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.632 -1.214 4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.636 -2.550 5.220 1.00 0.00 H new ATOM 1109 N VAL A 72 7.880 -2.594 5.276 1.00 0.00 N ATOM 1110 CA VAL A 72 6.616 -2.265 5.913 1.00 0.00 C ATOM 1111 C VAL A 72 6.249 -0.815 5.590 1.00 0.00 C ATOM 1112 O VAL A 72 6.986 0.107 5.935 1.00 0.00 O ATOM 1113 CB VAL A 72 6.700 -2.540 7.416 1.00 0.00 C ATOM 1114 CG1 VAL A 72 5.525 -1.898 8.157 1.00 0.00 C ATOM 1115 CG2 VAL A 72 6.769 -4.042 7.696 1.00 0.00 C ATOM 0 H VAL A 72 8.698 -2.154 5.698 1.00 0.00 H new ATOM 0 HA VAL A 72 5.817 -2.897 5.525 1.00 0.00 H new ATOM 0 HB VAL A 72 7.619 -2.087 7.788 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.609 -2.108 9.223 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.540 -0.820 7.998 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.589 -2.308 7.779 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.828 -4.209 8.771 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.876 -4.527 7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.652 -4.462 7.215 1.00 0.00 H new ATOM 1125 N ILE A 73 5.110 -0.659 4.932 1.00 0.00 N ATOM 1126 CA ILE A 73 4.637 0.663 4.558 1.00 0.00 C ATOM 1127 C ILE A 73 3.629 1.152 5.600 1.00 0.00 C ATOM 1128 O ILE A 73 3.280 0.419 6.524 1.00 0.00 O ATOM 1129 CB ILE A 73 4.088 0.652 3.130 1.00 0.00 C ATOM 1130 CG1 ILE A 73 4.897 -0.294 2.239 1.00 0.00 C ATOM 1131 CG2 ILE A 73 4.027 2.068 2.555 1.00 0.00 C ATOM 1132 CD1 ILE A 73 4.193 -0.521 0.900 1.00 0.00 C ATOM 0 H ILE A 73 4.501 -1.426 4.648 1.00 0.00 H new ATOM 0 HA ILE A 73 5.462 1.375 4.552 1.00 0.00 H new ATOM 0 HB ILE A 73 3.067 0.272 3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.889 0.123 2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.036 -1.248 2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.633 2.032 1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.376 2.685 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.028 2.498 2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.788 -1.197 0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.211 -0.960 1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.077 0.432 0.384 1.00 0.00 H new ATOM 1144 N HIS A 74 3.188 2.388 5.416 1.00 0.00 N ATOM 1145 CA HIS A 74 2.227 2.984 6.328 1.00 0.00 C ATOM 1146 C HIS A 74 1.036 3.526 5.536 1.00 0.00 C ATOM 1147 O HIS A 74 1.038 4.684 5.119 1.00 0.00 O ATOM 1148 CB HIS A 74 2.895 4.050 7.200 1.00 0.00 C ATOM 1149 CG HIS A 74 3.850 3.493 8.228 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.433 3.012 9.456 1.00 0.00 N ATOM 1151 CD2 HIS A 74 5.206 3.344 8.196 1.00 0.00 C ATOM 1152 CE1 HIS A 74 4.498 2.596 10.127 1.00 0.00 C ATOM 1153 NE2 HIS A 74 5.595 2.804 9.344 1.00 0.00 N ATOM 0 H HIS A 74 3.479 2.993 4.648 1.00 0.00 H new ATOM 0 HA HIS A 74 1.848 2.224 7.011 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.435 4.745 6.557 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.122 4.624 7.711 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.853 3.619 7.376 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.497 2.168 11.119 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.557 2.581 9.599 1.00 0.00 H new ATOM 1161 N LEU A 75 0.047 2.664 5.353 1.00 0.00 N ATOM 1162 CA LEU A 75 -1.149 3.042 4.619 1.00 0.00 C ATOM 1163 C LEU A 75 -2.099 3.794 5.552 1.00 0.00 C ATOM 1164 O LEU A 75 -2.086 3.578 6.763 1.00 0.00 O ATOM 1165 CB LEU A 75 -1.780 1.817 3.955 1.00 0.00 C ATOM 1166 CG LEU A 75 -3.233 1.973 3.501 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -3.324 2.839 2.243 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -3.897 0.609 3.307 1.00 0.00 C ATOM 0 H LEU A 75 0.049 1.705 5.700 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.897 3.722 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.177 1.547 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.726 0.982 4.653 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.783 2.489 4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.367 2.934 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.915 3.828 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.755 2.373 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.929 0.749 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.353 0.044 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.883 0.060 4.249 1.00 0.00 H new ATOM 1180 N VAL A 76 -2.901 4.663 4.954 1.00 0.00 N ATOM 1181 CA VAL A 76 -3.857 5.448 5.717 1.00 0.00 C ATOM 1182 C VAL A 76 -5.067 5.766 4.837 1.00 0.00 C ATOM 1183 O VAL A 76 -4.963 5.772 3.611 1.00 0.00 O ATOM 1184 CB VAL A 76 -3.177 6.700 6.275 1.00 0.00 C ATOM 1185 CG1 VAL A 76 -1.971 6.330 7.140 1.00 0.00 C ATOM 1186 CG2 VAL A 76 -2.772 7.653 5.149 1.00 0.00 C ATOM 0 H VAL A 76 -2.908 4.841 3.950 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.220 4.881 6.575 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.898 7.217 6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.506 7.238 7.524 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.298 5.709 7.974 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.248 5.778 6.539 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.291 8.534 5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.077 7.148 4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.659 7.956 4.592 1.00 0.00 H new ATOM 1196 N GLU A 77 -6.187 6.024 5.497 1.00 0.00 N ATOM 1197 CA GLU A 77 -7.416 6.342 4.790 1.00 0.00 C ATOM 1198 C GLU A 77 -7.800 7.804 5.026 1.00 0.00 C ATOM 1199 O GLU A 77 -8.264 8.160 6.109 1.00 0.00 O ATOM 1200 CB GLU A 77 -8.548 5.402 5.208 1.00 0.00 C ATOM 1201 CG GLU A 77 -9.782 5.605 4.326 1.00 0.00 C ATOM 1202 CD GLU A 77 -11.067 5.510 5.152 1.00 0.00 C ATOM 1203 OE1 GLU A 77 -11.182 4.524 5.911 1.00 0.00 O ATOM 1204 OE2 GLU A 77 -11.906 6.425 5.004 1.00 0.00 O ATOM 0 H GLU A 77 -6.269 6.019 6.514 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.246 6.199 3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.212 4.368 5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.808 5.582 6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.729 6.579 3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.797 4.854 3.536 1.00 0.00 H new