USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 726 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 42 GLN : amide:sc= -0.614 K(o=-0.15,f=-2!) USER MOD Set 1.2: A 98 THR OG1 : rot -94:sc= 0.464 USER MOD Set 2.1: A 53 ASN : amide:sc= 0.394 K(o=-1.6,f=-9.1!) USER MOD Set 2.2: A 55 ASN : amide:sc= -2.01! C(o=-1.6!,f=-8.9!) USER MOD Set 3.1: A 29 THR OG1 : rot -179:sc= 0.709 USER MOD Set 3.2: A 31 SER OG : rot -65:sc= 0.68 USER MOD Single : A 8 THR OG1 : rot 36:sc= 0.256 USER MOD Single : A 9 MET CE :methyl 166:sc= -1.51 (180deg=-1.8) USER MOD Single : A 14 SER OG : rot 72:sc= 1.02 USER MOD Single : A 22 SER OG : rot 10:sc= 0.0741 USER MOD Single : A 27 HIS : no HE2:sc= -6.35! C(o=-6.3!,f=-7.8!) USER MOD Single : A 32 GLN : amide:sc=-0.00118 X(o=-0.0012,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 98:sc= 0.484 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.151 F(o=-0.66,f=-0.15) USER MOD Single : A 40 GLN : amide:sc= -4.72! C(o=-4.7!,f=-8.4!) USER MOD Single : A 46 HIS : no HD1:sc= -6.15! C(o=-6.2!,f=-7.6!) USER MOD Single : A 47 ASN : amide:sc= -5.18! C(o=-5.2!,f=-6.5!) USER MOD Single : A 48 GLN : amide:sc= -5.35! C(o=-5.3!,f=-12!) USER MOD Single : A 49 THR OG1 : rot 81:sc= 1.01 USER MOD Single : A 51 SER OG : rot 153:sc= 0.68 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 60 LYS NZ :NH3+ 150:sc= -0.56 (180deg=-1.73!) USER MOD Single : A 61 SER OG : rot 180:sc= -0.189 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 167:sc= -1.23 (180deg=-1.58) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -140:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -2.07! C(o=-2.1!,f=-3!) USER MOD Single : A 87 SER OG : rot -120:sc= 0.787 USER MOD Single : A 88 MET CE :methyl -127:sc= -1.91 (180deg=-7.44!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.585 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 8 -8.909 8.981 8.417 1.00 0.00 N ATOM 67 CA THR A 8 -8.861 7.577 8.789 1.00 0.00 C ATOM 68 C THR A 8 -7.465 7.005 8.532 1.00 0.00 C ATOM 69 O THR A 8 -6.874 7.249 7.482 1.00 0.00 O ATOM 70 CB THR A 8 -9.967 6.847 8.024 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.166 7.489 8.450 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.137 5.397 8.483 1.00 0.00 C ATOM 0 HA THR A 8 -9.042 7.444 9.856 1.00 0.00 H new ATOM 0 HB THR A 8 -9.744 6.866 6.957 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.995 8.444 8.587 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.934 4.925 7.909 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.205 4.854 8.325 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.393 5.378 9.542 1.00 0.00 H new ATOM 80 N MET A 9 -6.980 6.254 9.510 1.00 0.00 N ATOM 81 CA MET A 9 -5.665 5.645 9.403 1.00 0.00 C ATOM 82 C MET A 9 -5.732 4.142 9.682 1.00 0.00 C ATOM 83 O MET A 9 -6.424 3.708 10.602 1.00 0.00 O ATOM 84 CB MET A 9 -4.712 6.308 10.401 1.00 0.00 C ATOM 85 CG MET A 9 -3.322 5.673 10.336 1.00 0.00 C ATOM 86 SD MET A 9 -2.783 5.214 11.975 1.00 0.00 S ATOM 87 CE MET A 9 -3.451 3.562 12.070 1.00 0.00 C ATOM 0 H MET A 9 -7.474 6.054 10.380 1.00 0.00 H new ATOM 0 HA MET A 9 -5.300 5.791 8.386 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.639 7.374 10.186 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.113 6.213 11.410 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.345 4.794 9.692 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.613 6.374 9.894 1.00 0.00 H new ATOM 0 HE1 MET A 9 -3.005 3.037 12.915 1.00 0.00 H new ATOM 0 HE2 MET A 9 -4.531 3.614 12.205 1.00 0.00 H new ATOM 0 HE3 MET A 9 -3.226 3.025 11.149 1.00 0.00 H new ATOM 97 N LEU A 10 -5.004 3.389 8.872 1.00 0.00 N ATOM 98 CA LEU A 10 -4.972 1.944 9.020 1.00 0.00 C ATOM 99 C LEU A 10 -3.525 1.487 9.214 1.00 0.00 C ATOM 100 O LEU A 10 -2.592 2.178 8.808 1.00 0.00 O ATOM 101 CB LEU A 10 -5.677 1.269 7.842 1.00 0.00 C ATOM 102 CG LEU A 10 -7.207 1.318 7.858 1.00 0.00 C ATOM 103 CD1 LEU A 10 -7.796 0.424 6.765 1.00 0.00 C ATOM 104 CD2 LEU A 10 -7.751 0.963 9.244 1.00 0.00 C ATOM 0 H LEU A 10 -4.431 3.752 8.110 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.525 1.640 9.909 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.328 1.735 6.920 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.367 0.225 7.809 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.519 2.339 7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.884 0.477 6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.446 0.763 5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.478 -0.606 6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.840 1.005 9.229 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.430 -0.043 9.514 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.371 1.674 9.977 1.00 0.00 H new ATOM 116 N ARG A 11 -3.383 0.325 9.834 1.00 0.00 N ATOM 117 CA ARG A 11 -2.065 -0.233 10.087 1.00 0.00 C ATOM 118 C ARG A 11 -1.805 -1.422 9.160 1.00 0.00 C ATOM 119 O ARG A 11 -2.374 -2.496 9.348 1.00 0.00 O ATOM 120 CB ARG A 11 -1.929 -0.689 11.541 1.00 0.00 C ATOM 121 CG ARG A 11 -1.051 0.277 12.339 1.00 0.00 C ATOM 122 CD ARG A 11 -0.737 -0.287 13.726 1.00 0.00 C ATOM 123 NE ARG A 11 -0.096 0.753 14.562 1.00 0.00 N ATOM 124 CZ ARG A 11 0.195 0.600 15.861 1.00 0.00 C ATOM 125 NH1 ARG A 11 -0.097 -0.552 16.481 1.00 0.00 N ATOM 126 NH2 ARG A 11 0.777 1.598 16.539 1.00 0.00 N ATOM 0 H ARG A 11 -4.159 -0.246 10.169 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.331 0.550 9.894 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.916 -0.753 12.000 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.497 -1.689 11.573 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.123 0.461 11.799 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.558 1.237 12.439 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.654 -0.634 14.202 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.078 -1.150 13.636 1.00 0.00 H new ATOM 0 HE ARG A 11 0.139 1.642 14.121 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.540 -1.311 15.964 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.124 -0.669 17.470 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.999 2.474 16.066 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.999 1.482 17.528 1.00 0.00 H new ATOM 140 N VAL A 12 -0.945 -1.190 8.179 1.00 0.00 N ATOM 141 CA VAL A 12 -0.603 -2.229 7.222 1.00 0.00 C ATOM 142 C VAL A 12 0.702 -2.902 7.652 1.00 0.00 C ATOM 143 O VAL A 12 1.572 -2.260 8.238 1.00 0.00 O ATOM 144 CB VAL A 12 -0.536 -1.639 5.811 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.732 -0.724 5.542 1.00 0.00 C ATOM 146 CG2 VAL A 12 0.784 -0.897 5.590 1.00 0.00 C ATOM 0 H VAL A 12 -0.475 -0.298 8.026 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.374 -2.999 7.201 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.580 -2.464 5.100 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.660 -0.318 4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.656 -1.295 5.638 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.734 0.094 6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.806 -0.487 4.580 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.871 -0.086 6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.616 -1.589 5.720 1.00 0.00 H new ATOM 156 N ARG A 13 0.797 -4.187 7.343 1.00 0.00 N ATOM 157 CA ARG A 13 1.981 -4.954 7.690 1.00 0.00 C ATOM 158 C ARG A 13 2.665 -5.476 6.424 1.00 0.00 C ATOM 159 O ARG A 13 2.042 -6.164 5.617 1.00 0.00 O ATOM 160 CB ARG A 13 1.626 -6.136 8.594 1.00 0.00 C ATOM 161 CG ARG A 13 2.857 -7.001 8.874 1.00 0.00 C ATOM 162 CD ARG A 13 3.378 -6.771 10.294 1.00 0.00 C ATOM 163 NE ARG A 13 3.443 -8.057 11.024 1.00 0.00 N ATOM 164 CZ ARG A 13 3.634 -8.161 12.346 1.00 0.00 C ATOM 165 NH1 ARG A 13 3.778 -7.057 13.091 1.00 0.00 N ATOM 166 NH2 ARG A 13 3.679 -9.369 12.923 1.00 0.00 N ATOM 0 H ARG A 13 0.073 -4.716 6.856 1.00 0.00 H new ATOM 0 HA ARG A 13 2.660 -4.292 8.227 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.214 -5.769 9.534 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.852 -6.741 8.121 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.604 -8.053 8.742 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.641 -6.768 8.153 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.367 -6.314 10.258 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.725 -6.076 10.822 1.00 0.00 H new ATOM 0 HE ARG A 13 3.336 -8.918 10.487 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.742 -6.137 12.652 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.923 -7.136 14.097 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.568 -10.210 12.356 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.824 -9.448 13.929 1.00 0.00 H new ATOM 180 N SER A 14 3.937 -5.130 6.292 1.00 0.00 N ATOM 181 CA SER A 14 4.711 -5.556 5.138 1.00 0.00 C ATOM 182 C SER A 14 5.931 -6.359 5.595 1.00 0.00 C ATOM 183 O SER A 14 6.199 -6.462 6.791 1.00 0.00 O ATOM 184 CB SER A 14 5.151 -4.356 4.297 1.00 0.00 C ATOM 185 OG SER A 14 5.127 -3.143 5.044 1.00 0.00 O ATOM 0 H SER A 14 4.451 -4.560 6.964 1.00 0.00 H new ATOM 0 HA SER A 14 4.078 -6.189 4.516 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.158 -4.529 3.918 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.497 -4.261 3.430 1.00 0.00 H new ATOM 0 HG SER A 14 5.861 -3.144 5.694 1.00 0.00 H new ATOM 191 N ARG A 15 6.638 -6.907 4.617 1.00 0.00 N ATOM 192 CA ARG A 15 7.823 -7.697 4.904 1.00 0.00 C ATOM 193 C ARG A 15 8.961 -6.794 5.384 1.00 0.00 C ATOM 194 O ARG A 15 9.837 -7.235 6.126 1.00 0.00 O ATOM 195 CB ARG A 15 8.283 -8.469 3.665 1.00 0.00 C ATOM 196 CG ARG A 15 8.369 -7.549 2.446 1.00 0.00 C ATOM 197 CD ARG A 15 9.503 -7.979 1.513 1.00 0.00 C ATOM 198 NE ARG A 15 10.796 -7.469 2.020 1.00 0.00 N ATOM 199 CZ ARG A 15 11.992 -7.898 1.594 1.00 0.00 C ATOM 200 NH1 ARG A 15 12.066 -8.846 0.650 1.00 0.00 N ATOM 201 NH2 ARG A 15 13.114 -7.378 2.111 1.00 0.00 N ATOM 0 H ARG A 15 6.413 -6.819 3.626 1.00 0.00 H new ATOM 0 HA ARG A 15 7.564 -8.409 5.688 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.257 -8.920 3.854 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.589 -9.284 3.462 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.423 -7.566 1.906 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.531 -6.522 2.772 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.534 -9.066 1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.322 -7.599 0.508 1.00 0.00 H new ATOM 0 HE ARG A 15 10.776 -6.746 2.739 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.212 -9.241 0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.976 -9.173 0.326 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.058 -6.656 2.829 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.024 -7.705 1.787 1.00 0.00 H new ATOM 215 N ASP A 16 8.910 -5.546 4.941 1.00 0.00 N ATOM 216 CA ASP A 16 9.925 -4.577 5.317 1.00 0.00 C ATOM 217 C ASP A 16 9.646 -4.076 6.735 1.00 0.00 C ATOM 218 O ASP A 16 10.569 -3.705 7.459 1.00 0.00 O ATOM 219 CB ASP A 16 9.909 -3.370 4.377 1.00 0.00 C ATOM 220 CG ASP A 16 11.134 -2.458 4.474 1.00 0.00 C ATOM 221 OD1 ASP A 16 11.483 -2.097 5.619 1.00 0.00 O ATOM 222 OD2 ASP A 16 11.693 -2.143 3.402 1.00 0.00 O ATOM 0 H ASP A 16 8.182 -5.184 4.325 1.00 0.00 H new ATOM 0 HA ASP A 16 10.897 -5.067 5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.822 -3.729 3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.017 -2.779 4.585 1.00 0.00 H new ATOM 227 N GLY A 17 8.369 -4.081 7.089 1.00 0.00 N ATOM 228 CA GLY A 17 7.957 -3.631 8.408 1.00 0.00 C ATOM 229 C GLY A 17 6.503 -3.153 8.395 1.00 0.00 C ATOM 230 O GLY A 17 5.908 -2.996 7.330 1.00 0.00 O ATOM 0 H GLY A 17 7.606 -4.389 6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.070 -4.444 9.125 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.607 -2.821 8.739 1.00 0.00 H new ATOM 234 N LEU A 18 5.975 -2.936 9.590 1.00 0.00 N ATOM 235 CA LEU A 18 4.602 -2.479 9.729 1.00 0.00 C ATOM 236 C LEU A 18 4.510 -1.015 9.295 1.00 0.00 C ATOM 237 O LEU A 18 5.235 -0.165 9.810 1.00 0.00 O ATOM 238 CB LEU A 18 4.095 -2.733 11.150 1.00 0.00 C ATOM 239 CG LEU A 18 2.831 -1.972 11.557 1.00 0.00 C ATOM 240 CD1 LEU A 18 1.586 -2.843 11.381 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.954 -1.427 12.981 1.00 0.00 C ATOM 0 H LEU A 18 6.472 -3.068 10.471 1.00 0.00 H new ATOM 0 HA LEU A 18 3.942 -3.048 9.074 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.904 -3.800 11.261 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.891 -2.477 11.850 1.00 0.00 H new ATOM 0 HG LEU A 18 2.720 -1.115 10.893 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.702 -2.278 11.677 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.494 -3.139 10.336 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.674 -3.733 12.004 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.043 -0.891 13.245 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.103 -2.254 13.675 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.804 -0.748 13.038 1.00 0.00 H new ATOM 253 N GLU A 19 3.613 -0.765 8.353 1.00 0.00 N ATOM 254 CA GLU A 19 3.416 0.582 7.845 1.00 0.00 C ATOM 255 C GLU A 19 1.963 1.017 8.042 1.00 0.00 C ATOM 256 O GLU A 19 1.103 0.197 8.359 1.00 0.00 O ATOM 257 CB GLU A 19 3.822 0.676 6.372 1.00 0.00 C ATOM 258 CG GLU A 19 5.319 0.960 6.233 1.00 0.00 C ATOM 259 CD GLU A 19 5.717 1.094 4.762 1.00 0.00 C ATOM 260 OE1 GLU A 19 6.004 0.041 4.153 1.00 0.00 O ATOM 261 OE2 GLU A 19 5.724 2.247 4.279 1.00 0.00 O ATOM 0 H GLU A 19 3.014 -1.473 7.928 1.00 0.00 H new ATOM 0 HA GLU A 19 4.057 1.260 8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.576 -0.256 5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.251 1.466 5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.570 1.877 6.766 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.890 0.155 6.696 1.00 0.00 H new ATOM 268 N ARG A 20 1.733 2.307 7.846 1.00 0.00 N ATOM 269 CA ARG A 20 0.399 2.861 7.999 1.00 0.00 C ATOM 270 C ARG A 20 0.044 3.730 6.791 1.00 0.00 C ATOM 271 O ARG A 20 0.919 4.351 6.189 1.00 0.00 O ATOM 272 CB ARG A 20 0.295 3.703 9.272 1.00 0.00 C ATOM 273 CG ARG A 20 1.266 4.885 9.230 1.00 0.00 C ATOM 274 CD ARG A 20 0.648 6.126 9.877 1.00 0.00 C ATOM 275 NE ARG A 20 0.791 6.053 11.349 1.00 0.00 N ATOM 276 CZ ARG A 20 1.913 6.368 12.011 1.00 0.00 C ATOM 277 NH1 ARG A 20 2.996 6.779 11.337 1.00 0.00 N ATOM 278 NH2 ARG A 20 1.952 6.272 13.347 1.00 0.00 N ATOM 0 H ARG A 20 2.448 2.985 7.582 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.300 2.028 8.070 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.725 4.070 9.387 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.510 3.082 10.141 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.188 4.621 9.748 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.533 5.104 8.196 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.136 7.024 9.500 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.406 6.200 9.609 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.014 5.744 11.893 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.966 6.852 10.320 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.850 7.019 11.841 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.128 5.959 13.860 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.806 6.512 13.851 1.00 0.00 H new ATOM 292 N VAL A 21 -1.242 3.747 6.472 1.00 0.00 N ATOM 293 CA VAL A 21 -1.724 4.529 5.346 1.00 0.00 C ATOM 294 C VAL A 21 -3.001 5.267 5.753 1.00 0.00 C ATOM 295 O VAL A 21 -3.766 4.780 6.584 1.00 0.00 O ATOM 296 CB VAL A 21 -1.918 3.627 4.126 1.00 0.00 C ATOM 297 CG1 VAL A 21 -2.511 4.410 2.953 1.00 0.00 C ATOM 298 CG2 VAL A 21 -0.602 2.954 3.727 1.00 0.00 C ATOM 0 H VAL A 21 -1.965 3.232 6.974 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.989 5.282 5.062 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.626 2.844 4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.638 3.745 2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.479 4.820 3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.839 5.224 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.768 2.318 2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.138 3.717 3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.238 2.347 4.556 1.00 0.00 H new ATOM 308 N SER A 22 -3.192 6.430 5.148 1.00 0.00 N ATOM 309 CA SER A 22 -4.364 7.240 5.437 1.00 0.00 C ATOM 310 C SER A 22 -5.452 6.976 4.395 1.00 0.00 C ATOM 311 O SER A 22 -5.177 6.956 3.196 1.00 0.00 O ATOM 312 CB SER A 22 -4.010 8.728 5.470 1.00 0.00 C ATOM 313 OG SER A 22 -5.002 9.498 6.144 1.00 0.00 O ATOM 0 H SER A 22 -2.555 6.831 4.459 1.00 0.00 H new ATOM 0 HA SER A 22 -4.738 6.961 6.422 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.049 8.861 5.966 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.896 9.096 4.450 1.00 0.00 H new ATOM 0 HG SER A 22 -5.634 8.897 6.591 1.00 0.00 H new ATOM 319 N VAL A 23 -6.666 6.781 4.890 1.00 0.00 N ATOM 320 CA VAL A 23 -7.797 6.519 4.016 1.00 0.00 C ATOM 321 C VAL A 23 -8.924 7.503 4.339 1.00 0.00 C ATOM 322 O VAL A 23 -8.734 8.435 5.119 1.00 0.00 O ATOM 323 CB VAL A 23 -8.227 5.056 4.140 1.00 0.00 C ATOM 324 CG1 VAL A 23 -7.053 4.115 3.863 1.00 0.00 C ATOM 325 CG2 VAL A 23 -8.839 4.779 5.515 1.00 0.00 C ATOM 0 H VAL A 23 -6.891 6.799 5.885 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.518 6.674 2.974 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.993 4.867 3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.385 3.081 3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.681 4.285 2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.256 4.307 4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.136 3.732 5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.104 4.994 6.290 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.714 5.413 5.658 1.00 0.00 H new ATOM 335 N ASP A 24 -10.071 7.261 3.723 1.00 0.00 N ATOM 336 CA ASP A 24 -11.229 8.114 3.935 1.00 0.00 C ATOM 337 C ASP A 24 -12.275 7.352 4.751 1.00 0.00 C ATOM 338 O ASP A 24 -12.773 7.858 5.756 1.00 0.00 O ATOM 339 CB ASP A 24 -11.867 8.517 2.605 1.00 0.00 C ATOM 340 CG ASP A 24 -10.881 8.765 1.463 1.00 0.00 C ATOM 341 OD1 ASP A 24 -10.145 9.772 1.557 1.00 0.00 O ATOM 342 OD2 ASP A 24 -10.883 7.943 0.521 1.00 0.00 O ATOM 0 H ASP A 24 -10.224 6.487 3.077 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.897 9.009 4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.562 7.734 2.301 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.454 9.422 2.761 1.00 0.00 H new ATOM 347 N GLY A 25 -12.579 6.148 4.288 1.00 0.00 N ATOM 348 CA GLY A 25 -13.557 5.312 4.962 1.00 0.00 C ATOM 349 C GLY A 25 -13.902 4.083 4.118 1.00 0.00 C ATOM 350 O GLY A 25 -13.157 3.720 3.210 1.00 0.00 O ATOM 0 H GLY A 25 -12.165 5.732 3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.166 4.995 5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.461 5.889 5.157 1.00 0.00 H new ATOM 354 N PRO A 26 -15.063 3.461 4.457 1.00 0.00 N ATOM 355 CA PRO A 26 -15.517 2.281 3.740 1.00 0.00 C ATOM 356 C PRO A 26 -16.077 2.655 2.367 1.00 0.00 C ATOM 357 O PRO A 26 -16.092 1.832 1.453 1.00 0.00 O ATOM 358 CB PRO A 26 -16.553 1.642 4.651 1.00 0.00 C ATOM 359 CG PRO A 26 -16.978 2.729 5.625 1.00 0.00 C ATOM 360 CD PRO A 26 -15.972 3.863 5.526 1.00 0.00 C ATOM 0 HA PRO A 26 -14.709 1.582 3.526 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.405 1.276 4.078 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.134 0.786 5.180 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -17.980 3.086 5.386 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.013 2.338 6.642 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.463 4.808 5.294 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.439 4.003 6.467 1.00 0.00 H new ATOM 368 N HIS A 27 -16.525 3.898 2.264 1.00 0.00 N ATOM 369 CA HIS A 27 -17.085 4.391 1.018 1.00 0.00 C ATOM 370 C HIS A 27 -16.061 4.225 -0.107 1.00 0.00 C ATOM 371 O HIS A 27 -16.414 4.264 -1.284 1.00 0.00 O ATOM 372 CB HIS A 27 -17.567 5.835 1.172 1.00 0.00 C ATOM 373 CG HIS A 27 -16.568 6.747 1.843 1.00 0.00 C ATOM 374 ND1 HIS A 27 -16.777 8.107 1.992 1.00 0.00 N ATOM 375 CD2 HIS A 27 -15.354 6.480 2.405 1.00 0.00 C ATOM 376 CE1 HIS A 27 -15.728 8.626 2.615 1.00 0.00 C ATOM 377 NE2 HIS A 27 -14.848 7.616 2.869 1.00 0.00 N ATOM 0 H HIS A 27 -16.511 4.578 3.024 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.963 3.802 0.753 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -17.804 6.235 0.186 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.492 5.839 1.749 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -17.599 8.622 1.676 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -14.884 5.509 2.463 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.594 9.666 2.875 1.00 0.00 H new ATOM 385 N ILE A 28 -14.812 4.042 0.296 1.00 0.00 N ATOM 386 CA ILE A 28 -13.734 3.870 -0.662 1.00 0.00 C ATOM 387 C ILE A 28 -13.609 2.388 -1.021 1.00 0.00 C ATOM 388 O ILE A 28 -13.934 1.520 -0.213 1.00 0.00 O ATOM 389 CB ILE A 28 -12.439 4.485 -0.128 1.00 0.00 C ATOM 390 CG1 ILE A 28 -11.808 3.591 0.941 1.00 0.00 C ATOM 391 CG2 ILE A 28 -12.677 5.908 0.381 1.00 0.00 C ATOM 392 CD1 ILE A 28 -10.563 2.884 0.401 1.00 0.00 C ATOM 0 H ILE A 28 -14.523 4.009 1.274 1.00 0.00 H new ATOM 0 HA ILE A 28 -13.956 4.405 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.728 4.553 -0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.541 4.191 1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.534 2.851 1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.741 6.322 0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.048 6.529 -0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.412 5.888 1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.134 2.255 1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.838 2.265 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.829 3.627 0.090 1.00 0.00 H new ATOM 404 N THR A 29 -13.137 2.144 -2.235 1.00 0.00 N ATOM 405 CA THR A 29 -12.965 0.782 -2.711 1.00 0.00 C ATOM 406 C THR A 29 -11.478 0.427 -2.787 1.00 0.00 C ATOM 407 O THR A 29 -10.622 1.306 -2.701 1.00 0.00 O ATOM 408 CB THR A 29 -13.688 0.655 -4.053 1.00 0.00 C ATOM 409 OG1 THR A 29 -13.102 1.671 -4.862 1.00 0.00 O ATOM 410 CG2 THR A 29 -15.163 1.055 -3.963 1.00 0.00 C ATOM 0 H THR A 29 -12.868 2.866 -2.903 1.00 0.00 H new ATOM 0 HA THR A 29 -13.404 0.063 -2.019 1.00 0.00 H new ATOM 0 HB THR A 29 -13.611 -0.372 -4.411 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.524 1.668 -5.747 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.630 0.947 -4.942 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.671 0.411 -3.245 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.239 2.092 -3.637 1.00 0.00 H new ATOM 418 N VAL A 30 -11.218 -0.862 -2.945 1.00 0.00 N ATOM 419 CA VAL A 30 -9.849 -1.344 -3.033 1.00 0.00 C ATOM 420 C VAL A 30 -9.076 -0.488 -4.038 1.00 0.00 C ATOM 421 O VAL A 30 -7.899 -0.194 -3.832 1.00 0.00 O ATOM 422 CB VAL A 30 -9.841 -2.833 -3.384 1.00 0.00 C ATOM 423 CG1 VAL A 30 -8.420 -3.318 -3.681 1.00 0.00 C ATOM 424 CG2 VAL A 30 -10.482 -3.663 -2.270 1.00 0.00 C ATOM 0 H VAL A 30 -11.931 -1.588 -3.014 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.347 -1.248 -2.070 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.437 -2.968 -4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.442 -4.380 -3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.013 -2.758 -4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.792 -3.162 -2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.463 -4.718 -2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.926 -3.520 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.514 -3.344 -2.126 1.00 0.00 H new ATOM 434 N SER A 31 -9.768 -0.113 -5.104 1.00 0.00 N ATOM 435 CA SER A 31 -9.160 0.703 -6.142 1.00 0.00 C ATOM 436 C SER A 31 -8.602 1.992 -5.534 1.00 0.00 C ATOM 437 O SER A 31 -7.487 2.401 -5.854 1.00 0.00 O ATOM 438 CB SER A 31 -10.167 1.030 -7.246 1.00 0.00 C ATOM 439 OG SER A 31 -11.103 2.025 -6.838 1.00 0.00 O ATOM 0 H SER A 31 -10.744 -0.359 -5.271 1.00 0.00 H new ATOM 0 HA SER A 31 -8.343 0.136 -6.589 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.634 1.375 -8.132 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.702 0.123 -7.529 1.00 0.00 H new ATOM 0 HG SER A 31 -11.657 1.674 -6.110 1.00 0.00 H new ATOM 445 N GLN A 32 -9.403 2.596 -4.669 1.00 0.00 N ATOM 446 CA GLN A 32 -9.002 3.829 -4.013 1.00 0.00 C ATOM 447 C GLN A 32 -7.932 3.546 -2.958 1.00 0.00 C ATOM 448 O GLN A 32 -7.052 4.374 -2.723 1.00 0.00 O ATOM 449 CB GLN A 32 -10.209 4.538 -3.395 1.00 0.00 C ATOM 450 CG GLN A 32 -11.232 4.917 -4.467 1.00 0.00 C ATOM 451 CD GLN A 32 -11.900 6.254 -4.140 1.00 0.00 C ATOM 452 OE1 GLN A 32 -11.304 7.314 -4.234 1.00 0.00 O ATOM 453 NE2 GLN A 32 -13.167 6.145 -3.751 1.00 0.00 N ATOM 0 H GLN A 32 -10.328 2.255 -4.407 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.576 4.495 -4.763 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.677 3.889 -2.655 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.879 5.434 -2.870 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.740 4.980 -5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.990 4.137 -4.544 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.606 5.226 -3.694 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.700 6.980 -3.510 1.00 0.00 H new ATOM 462 N LEU A 33 -8.041 2.375 -2.349 1.00 0.00 N ATOM 463 CA LEU A 33 -7.094 1.972 -1.324 1.00 0.00 C ATOM 464 C LEU A 33 -5.701 1.845 -1.944 1.00 0.00 C ATOM 465 O LEU A 33 -4.814 2.647 -1.658 1.00 0.00 O ATOM 466 CB LEU A 33 -7.573 0.701 -0.621 1.00 0.00 C ATOM 467 CG LEU A 33 -6.690 0.192 0.521 1.00 0.00 C ATOM 468 CD1 LEU A 33 -6.190 1.351 1.386 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.420 -0.867 1.349 1.00 0.00 C ATOM 0 H LEU A 33 -8.772 1.691 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.029 2.733 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.573 0.882 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.662 -0.090 -1.365 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.813 -0.288 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.565 0.962 2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.606 2.037 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.042 1.880 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.770 -1.212 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.326 -0.435 1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.685 -1.710 0.710 1.00 0.00 H new ATOM 481 N LYS A 34 -5.553 0.830 -2.783 1.00 0.00 N ATOM 482 CA LYS A 34 -4.283 0.587 -3.447 1.00 0.00 C ATOM 483 C LYS A 34 -3.689 1.920 -3.906 1.00 0.00 C ATOM 484 O LYS A 34 -2.506 2.181 -3.697 1.00 0.00 O ATOM 485 CB LYS A 34 -4.455 -0.432 -4.575 1.00 0.00 C ATOM 486 CG LYS A 34 -4.190 -1.854 -4.076 1.00 0.00 C ATOM 487 CD LYS A 34 -5.412 -2.748 -4.295 1.00 0.00 C ATOM 488 CE LYS A 34 -5.030 -4.227 -4.216 1.00 0.00 C ATOM 489 NZ LYS A 34 -5.526 -4.955 -5.406 1.00 0.00 N ATOM 0 H LYS A 34 -6.291 0.167 -3.018 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.569 0.142 -2.754 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.466 -0.367 -4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.771 -0.196 -5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.330 -2.273 -4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.938 -1.830 -3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.170 -2.524 -3.545 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.854 -2.534 -5.268 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.947 -4.326 -4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.448 -4.669 -3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.258 -5.957 -5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.562 -4.876 -5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.107 -4.544 -6.264 1.00 0.00 H new ATOM 503 N THR A 35 -4.539 2.727 -4.524 1.00 0.00 N ATOM 504 CA THR A 35 -4.113 4.027 -5.015 1.00 0.00 C ATOM 505 C THR A 35 -3.462 4.835 -3.891 1.00 0.00 C ATOM 506 O THR A 35 -2.415 5.450 -4.089 1.00 0.00 O ATOM 507 CB THR A 35 -5.327 4.719 -5.636 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.523 4.036 -6.871 1.00 0.00 O ATOM 509 CG2 THR A 35 -5.031 6.162 -6.051 1.00 0.00 C ATOM 0 H THR A 35 -5.520 2.506 -4.696 1.00 0.00 H new ATOM 0 HA THR A 35 -3.348 3.927 -5.785 1.00 0.00 H new ATOM 0 HB THR A 35 -6.153 4.708 -4.925 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.220 3.356 -6.762 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.926 6.606 -6.486 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.728 6.737 -5.176 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.227 6.171 -6.787 1.00 0.00 H new ATOM 517 N LEU A 36 -4.109 4.807 -2.735 1.00 0.00 N ATOM 518 CA LEU A 36 -3.606 5.530 -1.578 1.00 0.00 C ATOM 519 C LEU A 36 -2.204 5.022 -1.236 1.00 0.00 C ATOM 520 O LEU A 36 -1.268 5.810 -1.112 1.00 0.00 O ATOM 521 CB LEU A 36 -4.596 5.434 -0.416 1.00 0.00 C ATOM 522 CG LEU A 36 -5.732 6.459 -0.416 1.00 0.00 C ATOM 523 CD1 LEU A 36 -6.770 6.128 0.658 1.00 0.00 C ATOM 524 CD2 LEU A 36 -5.188 7.881 -0.269 1.00 0.00 C ATOM 0 H LEU A 36 -4.977 4.295 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.515 6.593 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.034 4.436 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.042 5.536 0.517 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.239 6.407 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.566 6.872 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.191 5.141 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.294 6.135 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.016 8.590 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.641 7.966 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.518 8.102 -1.100 1.00 0.00 H new ATOM 536 N ILE A 37 -2.103 3.709 -1.092 1.00 0.00 N ATOM 537 CA ILE A 37 -0.831 3.087 -0.766 1.00 0.00 C ATOM 538 C ILE A 37 0.127 3.247 -1.948 1.00 0.00 C ATOM 539 O ILE A 37 1.344 3.183 -1.778 1.00 0.00 O ATOM 540 CB ILE A 37 -1.040 1.634 -0.336 1.00 0.00 C ATOM 541 CG1 ILE A 37 -1.559 1.556 1.101 1.00 0.00 C ATOM 542 CG2 ILE A 37 0.239 0.816 -0.528 1.00 0.00 C ATOM 543 CD1 ILE A 37 -2.993 1.025 1.138 1.00 0.00 C ATOM 0 H ILE A 37 -2.882 3.058 -1.195 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.371 3.585 0.088 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.803 1.195 -0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.912 0.907 1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.521 2.544 1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.063 -0.213 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.526 0.831 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.040 1.246 0.073 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.338 0.980 2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.642 1.690 0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.023 0.027 0.701 1.00 0.00 H new ATOM 555 N GLN A 38 -0.457 3.452 -3.119 1.00 0.00 N ATOM 556 CA GLN A 38 0.330 3.622 -4.328 1.00 0.00 C ATOM 557 C GLN A 38 0.909 5.037 -4.391 1.00 0.00 C ATOM 558 O GLN A 38 1.960 5.255 -4.991 1.00 0.00 O ATOM 559 CB GLN A 38 -0.504 3.316 -5.573 1.00 0.00 C ATOM 560 CG GLN A 38 0.318 3.514 -6.848 1.00 0.00 C ATOM 561 CD GLN A 38 -0.459 4.333 -7.881 1.00 0.00 C ATOM 562 OE1 GLN A 38 -1.012 5.439 -7.390 1.00 0.00 O flip ATOM 563 NE2 GLN A 38 -0.551 3.984 -9.046 1.00 0.00 N flip ATOM 0 H GLN A 38 -1.466 3.504 -3.256 1.00 0.00 H new ATOM 0 HA GLN A 38 1.157 2.913 -4.301 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.869 2.290 -5.527 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.380 3.965 -5.597 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.253 4.019 -6.607 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.580 2.544 -7.270 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.102 3.123 -9.357 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.077 4.553 -9.709 1.00 0.00 H new ATOM 572 N ASP A 39 0.198 5.961 -3.762 1.00 0.00 N ATOM 573 CA ASP A 39 0.629 7.349 -3.738 1.00 0.00 C ATOM 574 C ASP A 39 1.416 7.612 -2.453 1.00 0.00 C ATOM 575 O ASP A 39 2.100 8.628 -2.337 1.00 0.00 O ATOM 576 CB ASP A 39 -0.571 8.298 -3.760 1.00 0.00 C ATOM 577 CG ASP A 39 -0.386 9.555 -4.612 1.00 0.00 C ATOM 578 OD1 ASP A 39 0.715 10.141 -4.528 1.00 0.00 O ATOM 579 OD2 ASP A 39 -1.350 9.901 -5.329 1.00 0.00 O ATOM 0 H ASP A 39 -0.673 5.776 -3.265 1.00 0.00 H new ATOM 0 HA ASP A 39 1.246 7.526 -4.619 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.440 7.752 -4.128 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.795 8.600 -2.737 1.00 0.00 H new ATOM 584 N GLN A 40 1.295 6.679 -1.521 1.00 0.00 N ATOM 585 CA GLN A 40 1.987 6.797 -0.249 1.00 0.00 C ATOM 586 C GLN A 40 3.210 5.878 -0.222 1.00 0.00 C ATOM 587 O GLN A 40 4.339 6.345 -0.078 1.00 0.00 O ATOM 588 CB GLN A 40 1.046 6.492 0.918 1.00 0.00 C ATOM 589 CG GLN A 40 0.006 7.601 1.089 1.00 0.00 C ATOM 590 CD GLN A 40 -1.013 7.236 2.170 1.00 0.00 C ATOM 591 OE1 GLN A 40 -0.695 7.105 3.341 1.00 0.00 O ATOM 592 NE2 GLN A 40 -2.253 7.078 1.714 1.00 0.00 N ATOM 0 H GLN A 40 0.728 5.837 -1.621 1.00 0.00 H new ATOM 0 HA GLN A 40 2.328 7.826 -0.138 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.543 5.541 0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.623 6.385 1.837 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.504 8.534 1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.508 7.772 0.143 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.451 7.202 0.721 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.006 6.832 2.357 1.00 0.00 H new ATOM 601 N LEU A 41 2.944 4.588 -0.363 1.00 0.00 N ATOM 602 CA LEU A 41 4.008 3.599 -0.357 1.00 0.00 C ATOM 603 C LEU A 41 4.713 3.607 -1.715 1.00 0.00 C ATOM 604 O LEU A 41 5.724 2.929 -1.897 1.00 0.00 O ATOM 605 CB LEU A 41 3.463 2.227 0.044 1.00 0.00 C ATOM 606 CG LEU A 41 2.795 2.146 1.419 1.00 0.00 C ATOM 607 CD1 LEU A 41 2.587 0.691 1.843 1.00 0.00 C ATOM 608 CD2 LEU A 41 3.587 2.939 2.460 1.00 0.00 C ATOM 0 H LEU A 41 2.006 4.205 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 41 4.757 3.850 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.740 1.911 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.284 1.510 0.018 1.00 0.00 H new ATOM 0 HG LEU A 41 1.808 2.604 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.111 0.662 2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.950 0.187 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.551 0.185 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.091 2.865 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.596 2.533 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.639 3.985 2.158 1.00 0.00 H new ATOM 620 N GLN A 42 4.153 4.382 -2.632 1.00 0.00 N ATOM 621 CA GLN A 42 4.716 4.487 -3.968 1.00 0.00 C ATOM 622 C GLN A 42 4.799 3.105 -4.619 1.00 0.00 C ATOM 623 O GLN A 42 5.701 2.843 -5.414 1.00 0.00 O ATOM 624 CB GLN A 42 6.090 5.160 -3.932 1.00 0.00 C ATOM 625 CG GLN A 42 5.978 6.611 -3.459 1.00 0.00 C ATOM 626 CD GLN A 42 5.160 7.447 -4.446 1.00 0.00 C ATOM 627 OE1 GLN A 42 4.844 7.024 -5.545 1.00 0.00 O ATOM 628 NE2 GLN A 42 4.837 8.655 -3.993 1.00 0.00 N ATOM 0 H GLN A 42 3.316 4.943 -2.477 1.00 0.00 H new ATOM 0 HA GLN A 42 4.057 5.112 -4.571 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.752 4.607 -3.266 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.539 5.131 -4.925 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.510 6.642 -2.475 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.974 7.040 -3.351 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.134 8.947 -3.062 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.292 9.290 -4.577 1.00 0.00 H new ATOM 637 N ILE A 43 3.846 2.258 -4.259 1.00 0.00 N ATOM 638 CA ILE A 43 3.801 0.910 -4.798 1.00 0.00 C ATOM 639 C ILE A 43 2.716 0.832 -5.875 1.00 0.00 C ATOM 640 O ILE A 43 1.667 1.461 -5.750 1.00 0.00 O ATOM 641 CB ILE A 43 3.623 -0.112 -3.673 1.00 0.00 C ATOM 642 CG1 ILE A 43 4.822 -0.093 -2.722 1.00 0.00 C ATOM 643 CG2 ILE A 43 3.361 -1.510 -4.237 1.00 0.00 C ATOM 644 CD1 ILE A 43 4.587 -1.019 -1.526 1.00 0.00 C ATOM 0 H ILE A 43 3.099 2.479 -3.601 1.00 0.00 H new ATOM 0 HA ILE A 43 4.747 0.661 -5.278 1.00 0.00 H new ATOM 0 HB ILE A 43 2.745 0.169 -3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.720 -0.404 -3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.996 0.924 -2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.238 -2.216 -3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.454 -1.495 -4.841 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.204 -1.816 -4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.454 -0.987 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.702 -0.691 -0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.437 -2.039 -1.880 1.00 0.00 H new ATOM 656 N PRO A 44 3.015 0.035 -6.935 1.00 0.00 N ATOM 657 CA PRO A 44 2.078 -0.132 -8.033 1.00 0.00 C ATOM 658 C PRO A 44 0.919 -1.045 -7.630 1.00 0.00 C ATOM 659 O PRO A 44 1.108 -2.000 -6.878 1.00 0.00 O ATOM 660 CB PRO A 44 2.908 -0.695 -9.176 1.00 0.00 C ATOM 661 CG PRO A 44 4.169 -1.256 -8.539 1.00 0.00 C ATOM 662 CD PRO A 44 4.249 -0.725 -7.117 1.00 0.00 C ATOM 0 HA PRO A 44 1.603 0.804 -8.327 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.361 -1.472 -9.710 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.149 0.081 -9.902 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.144 -2.346 -8.539 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.049 -0.957 -9.108 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.324 -1.538 -6.394 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.127 -0.094 -6.979 1.00 0.00 H new ATOM 670 N ILE A 45 -0.256 -0.720 -8.149 1.00 0.00 N ATOM 671 CA ILE A 45 -1.447 -1.498 -7.852 1.00 0.00 C ATOM 672 C ILE A 45 -1.312 -2.887 -8.479 1.00 0.00 C ATOM 673 O ILE A 45 -1.850 -3.863 -7.958 1.00 0.00 O ATOM 674 CB ILE A 45 -2.703 -0.745 -8.292 1.00 0.00 C ATOM 675 CG1 ILE A 45 -2.722 0.673 -7.716 1.00 0.00 C ATOM 676 CG2 ILE A 45 -3.967 -1.527 -7.929 1.00 0.00 C ATOM 677 CD1 ILE A 45 -4.094 1.324 -7.906 1.00 0.00 C ATOM 0 H ILE A 45 -0.409 0.072 -8.774 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.550 -1.641 -6.776 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.682 -0.652 -9.378 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.474 0.642 -6.655 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.958 1.278 -8.204 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.846 -0.969 -8.253 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.950 -2.497 -8.425 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.007 -1.672 -6.850 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.080 2.331 -7.488 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.328 1.376 -8.969 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.852 0.730 -7.396 1.00 0.00 H new ATOM 689 N HIS A 46 -0.590 -2.933 -9.589 1.00 0.00 N ATOM 690 CA HIS A 46 -0.377 -4.186 -10.293 1.00 0.00 C ATOM 691 C HIS A 46 0.551 -5.084 -9.473 1.00 0.00 C ATOM 692 O HIS A 46 0.770 -6.242 -9.824 1.00 0.00 O ATOM 693 CB HIS A 46 0.143 -3.932 -11.709 1.00 0.00 C ATOM 694 CG HIS A 46 1.194 -2.852 -11.793 1.00 0.00 C ATOM 695 ND1 HIS A 46 0.882 -1.506 -11.879 1.00 0.00 N ATOM 696 CD2 HIS A 46 2.556 -2.932 -11.803 1.00 0.00 C ATOM 697 CE1 HIS A 46 2.012 -0.817 -11.938 1.00 0.00 C ATOM 698 NE2 HIS A 46 3.048 -1.702 -11.891 1.00 0.00 N ATOM 0 H HIS A 46 -0.145 -2.122 -10.018 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.326 -4.710 -10.406 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.557 -4.859 -12.105 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.696 -3.659 -12.349 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.136 -3.842 -11.749 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.097 0.257 -12.011 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.038 -1.459 -11.919 1.00 0.00 H new ATOM 706 N ASN A 47 1.072 -4.516 -8.395 1.00 0.00 N ATOM 707 CA ASN A 47 1.971 -5.250 -7.522 1.00 0.00 C ATOM 708 C ASN A 47 1.348 -5.359 -6.129 1.00 0.00 C ATOM 709 O ASN A 47 1.422 -6.408 -5.492 1.00 0.00 O ATOM 710 CB ASN A 47 3.315 -4.531 -7.384 1.00 0.00 C ATOM 711 CG ASN A 47 4.177 -4.736 -8.631 1.00 0.00 C ATOM 712 OD1 ASN A 47 3.748 -5.290 -9.630 1.00 0.00 O ATOM 713 ND2 ASN A 47 5.414 -4.260 -8.518 1.00 0.00 N ATOM 0 H ASN A 47 0.888 -3.555 -8.107 1.00 0.00 H new ATOM 0 HA ASN A 47 2.133 -6.236 -7.958 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.147 -3.466 -7.225 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.843 -4.905 -6.507 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.067 -4.348 -9.296 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.709 -3.807 -7.653 1.00 0.00 H new ATOM 720 N GLN A 48 0.748 -4.259 -5.697 1.00 0.00 N ATOM 721 CA GLN A 48 0.112 -4.217 -4.391 1.00 0.00 C ATOM 722 C GLN A 48 -0.750 -5.464 -4.181 1.00 0.00 C ATOM 723 O GLN A 48 -1.493 -5.867 -5.075 1.00 0.00 O ATOM 724 CB GLN A 48 -0.717 -2.942 -4.226 1.00 0.00 C ATOM 725 CG GLN A 48 0.170 -1.757 -3.843 1.00 0.00 C ATOM 726 CD GLN A 48 -0.671 -0.583 -3.338 1.00 0.00 C ATOM 727 OE1 GLN A 48 -1.161 -0.571 -2.220 1.00 0.00 O ATOM 728 NE2 GLN A 48 -0.811 0.402 -4.221 1.00 0.00 N ATOM 0 H GLN A 48 0.689 -3.390 -6.228 1.00 0.00 H new ATOM 0 HA GLN A 48 0.891 -4.205 -3.628 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.242 -2.722 -5.156 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.477 -3.095 -3.460 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.876 -2.062 -3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.757 -1.444 -4.706 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.375 0.329 -5.140 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.355 1.230 -3.979 1.00 0.00 H new ATOM 737 N THR A 49 -0.624 -6.038 -2.994 1.00 0.00 N ATOM 738 CA THR A 49 -1.382 -7.230 -2.654 1.00 0.00 C ATOM 739 C THR A 49 -1.976 -7.103 -1.250 1.00 0.00 C ATOM 740 O THR A 49 -1.273 -7.282 -0.257 1.00 0.00 O ATOM 741 CB THR A 49 -0.459 -8.440 -2.817 1.00 0.00 C ATOM 742 OG1 THR A 49 0.066 -8.301 -4.134 1.00 0.00 O ATOM 743 CG2 THR A 49 -1.229 -9.762 -2.859 1.00 0.00 C ATOM 0 H THR A 49 -0.008 -5.700 -2.255 1.00 0.00 H new ATOM 0 HA THR A 49 -2.234 -7.361 -3.322 1.00 0.00 H new ATOM 0 HB THR A 49 0.257 -8.464 -1.996 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.804 -7.656 -4.126 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.528 -10.588 -2.976 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.787 -9.888 -1.931 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.922 -9.753 -3.700 1.00 0.00 H new ATOM 751 N LEU A 50 -3.264 -6.795 -1.213 1.00 0.00 N ATOM 752 CA LEU A 50 -3.960 -6.641 0.053 1.00 0.00 C ATOM 753 C LEU A 50 -4.444 -8.011 0.534 1.00 0.00 C ATOM 754 O LEU A 50 -4.868 -8.840 -0.270 1.00 0.00 O ATOM 755 CB LEU A 50 -5.077 -5.603 -0.072 1.00 0.00 C ATOM 756 CG LEU A 50 -4.635 -4.139 -0.075 1.00 0.00 C ATOM 757 CD1 LEU A 50 -3.516 -3.901 0.941 1.00 0.00 C ATOM 758 CD2 LEU A 50 -4.235 -3.690 -1.483 1.00 0.00 C ATOM 0 H LEU A 50 -3.844 -6.648 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.283 -6.256 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.626 -5.798 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.776 -5.749 0.752 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.483 -3.526 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.221 -2.852 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.871 -4.156 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.658 -4.525 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.925 -2.645 -1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.409 -4.305 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.086 -3.799 -2.155 1.00 0.00 H new ATOM 770 N SER A 51 -4.365 -8.206 1.842 1.00 0.00 N ATOM 771 CA SER A 51 -4.790 -9.460 2.439 1.00 0.00 C ATOM 772 C SER A 51 -4.985 -9.284 3.946 1.00 0.00 C ATOM 773 O SER A 51 -4.150 -8.680 4.617 1.00 0.00 O ATOM 774 CB SER A 51 -3.777 -10.573 2.162 1.00 0.00 C ATOM 775 OG SER A 51 -4.319 -11.865 2.419 1.00 0.00 O ATOM 0 H SER A 51 -4.013 -7.516 2.505 1.00 0.00 H new ATOM 0 HA SER A 51 -5.739 -9.748 1.988 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.452 -10.517 1.123 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.893 -10.421 2.782 1.00 0.00 H new ATOM 0 HG SER A 51 -3.861 -12.529 1.862 1.00 0.00 H new ATOM 781 N THR A 52 -6.093 -9.821 4.434 1.00 0.00 N ATOM 782 CA THR A 52 -6.409 -9.730 5.849 1.00 0.00 C ATOM 783 C THR A 52 -5.840 -10.936 6.601 1.00 0.00 C ATOM 784 O THR A 52 -6.414 -11.379 7.595 1.00 0.00 O ATOM 785 CB THR A 52 -7.926 -9.589 5.987 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.449 -10.506 5.030 1.00 0.00 O ATOM 787 CG2 THR A 52 -8.433 -8.225 5.512 1.00 0.00 C ATOM 0 H THR A 52 -6.784 -10.321 3.874 1.00 0.00 H new ATOM 0 HA THR A 52 -5.944 -8.854 6.302 1.00 0.00 H new ATOM 0 HB THR A 52 -8.211 -9.740 7.028 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.428 -10.480 5.053 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.515 -8.177 5.631 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.968 -7.437 6.105 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.178 -8.088 4.461 1.00 0.00 H new ATOM 795 N ASN A 53 -4.720 -11.432 6.097 1.00 0.00 N ATOM 796 CA ASN A 53 -4.067 -12.577 6.708 1.00 0.00 C ATOM 797 C ASN A 53 -2.553 -12.360 6.700 1.00 0.00 C ATOM 798 O ASN A 53 -1.994 -11.892 5.710 1.00 0.00 O ATOM 799 CB ASN A 53 -4.365 -13.861 5.930 1.00 0.00 C ATOM 800 CG ASN A 53 -4.882 -14.959 6.862 1.00 0.00 C ATOM 801 OD1 ASN A 53 -4.213 -15.940 7.138 1.00 0.00 O ATOM 802 ND2 ASN A 53 -6.108 -14.739 7.328 1.00 0.00 N ATOM 0 H ASN A 53 -4.248 -11.062 5.272 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.444 -12.676 7.726 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.105 -13.658 5.156 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.461 -14.203 5.425 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.543 -15.414 7.957 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.613 -13.896 7.056 1.00 0.00 H new ATOM 809 N ARG A 54 -1.931 -12.711 7.817 1.00 0.00 N ATOM 810 CA ARG A 54 -0.492 -12.560 7.951 1.00 0.00 C ATOM 811 C ARG A 54 0.233 -13.591 7.083 1.00 0.00 C ATOM 812 O ARG A 54 1.447 -13.514 6.906 1.00 0.00 O ATOM 813 CB ARG A 54 -0.054 -12.731 9.407 1.00 0.00 C ATOM 814 CG ARG A 54 -0.240 -14.177 9.870 1.00 0.00 C ATOM 815 CD ARG A 54 -1.368 -14.283 10.898 1.00 0.00 C ATOM 816 NE ARG A 54 -0.803 -14.359 12.263 1.00 0.00 N ATOM 817 CZ ARG A 54 -0.333 -15.483 12.821 1.00 0.00 C ATOM 818 NH1 ARG A 54 -0.356 -16.632 12.133 1.00 0.00 N ATOM 819 NH2 ARG A 54 0.162 -15.457 14.066 1.00 0.00 N ATOM 0 H ARG A 54 -2.397 -13.099 8.637 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.232 -11.554 7.621 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.992 -12.444 9.512 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.633 -12.064 10.045 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.464 -14.811 9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.689 -14.546 10.305 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.028 -13.419 10.816 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.973 -15.167 10.696 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.769 -13.502 12.814 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.731 -16.651 11.185 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.002 -17.488 12.557 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.181 -14.582 14.589 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.520 -16.313 14.491 1.00 0.00 H new ATOM 833 N ASN A 55 -0.543 -14.532 6.566 1.00 0.00 N ATOM 834 CA ASN A 55 0.010 -15.577 5.721 1.00 0.00 C ATOM 835 C ASN A 55 0.533 -14.956 4.425 1.00 0.00 C ATOM 836 O ASN A 55 1.252 -15.605 3.667 1.00 0.00 O ATOM 837 CB ASN A 55 -1.057 -16.610 5.354 1.00 0.00 C ATOM 838 CG ASN A 55 -1.080 -17.759 6.365 1.00 0.00 C ATOM 839 OD1 ASN A 55 -0.064 -18.340 6.706 1.00 0.00 O ATOM 840 ND2 ASN A 55 -2.294 -18.051 6.823 1.00 0.00 N ATOM 0 H ASN A 55 -1.550 -14.593 6.716 1.00 0.00 H new ATOM 0 HA ASN A 55 0.812 -16.067 6.272 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.036 -16.131 5.320 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.860 -17.003 4.356 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.416 -18.802 7.502 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.103 -17.524 6.495 1.00 0.00 H new ATOM 847 N LEU A 56 0.152 -13.705 4.210 1.00 0.00 N ATOM 848 CA LEU A 56 0.573 -12.989 3.018 1.00 0.00 C ATOM 849 C LEU A 56 2.081 -12.738 3.086 1.00 0.00 C ATOM 850 O LEU A 56 2.755 -12.704 2.057 1.00 0.00 O ATOM 851 CB LEU A 56 -0.255 -11.715 2.838 1.00 0.00 C ATOM 852 CG LEU A 56 -0.064 -10.973 1.513 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.780 -11.697 0.371 1.00 0.00 C ATOM 854 CD2 LEU A 56 -0.508 -9.514 1.634 1.00 0.00 C ATOM 0 H LEU A 56 -0.444 -13.169 4.841 1.00 0.00 H new ATOM 0 HA LEU A 56 0.389 -13.590 2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.309 -11.973 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.015 -11.031 3.652 1.00 0.00 H new ATOM 0 HG LEU A 56 0.999 -10.968 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.628 -11.149 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.376 -12.704 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.847 -11.754 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.362 -9.009 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.563 -9.476 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.084 -9.016 2.402 1.00 0.00 H new ATOM 866 N LEU A 57 2.566 -12.569 4.307 1.00 0.00 N ATOM 867 CA LEU A 57 3.982 -12.322 4.522 1.00 0.00 C ATOM 868 C LEU A 57 4.765 -13.611 4.264 1.00 0.00 C ATOM 869 O LEU A 57 5.995 -13.608 4.280 1.00 0.00 O ATOM 870 CB LEU A 57 4.217 -11.728 5.912 1.00 0.00 C ATOM 871 CG LEU A 57 3.245 -10.628 6.345 1.00 0.00 C ATOM 872 CD1 LEU A 57 3.536 -10.171 7.776 1.00 0.00 C ATOM 873 CD2 LEU A 57 3.263 -9.461 5.356 1.00 0.00 C ATOM 0 H LEU A 57 2.004 -12.598 5.158 1.00 0.00 H new ATOM 0 HA LEU A 57 4.350 -11.578 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.170 -12.535 6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.229 -11.325 5.947 1.00 0.00 H new ATOM 0 HG LEU A 57 2.236 -11.041 6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.831 -9.389 8.059 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.432 -11.016 8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.552 -9.782 7.834 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.564 -8.693 5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.268 -9.041 5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.971 -9.817 4.368 1.00 0.00 H new ATOM 885 N LEU A 58 4.020 -14.682 4.031 1.00 0.00 N ATOM 886 CA LEU A 58 4.629 -15.975 3.770 1.00 0.00 C ATOM 887 C LEU A 58 4.825 -16.145 2.262 1.00 0.00 C ATOM 888 O LEU A 58 5.865 -16.631 1.819 1.00 0.00 O ATOM 889 CB LEU A 58 3.807 -17.094 4.413 1.00 0.00 C ATOM 890 CG LEU A 58 3.464 -16.908 5.893 1.00 0.00 C ATOM 891 CD1 LEU A 58 2.748 -18.140 6.448 1.00 0.00 C ATOM 892 CD2 LEU A 58 4.712 -16.556 6.705 1.00 0.00 C ATOM 0 H LEU A 58 3.000 -14.680 4.018 1.00 0.00 H new ATOM 0 HA LEU A 58 5.616 -16.032 4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.877 -17.201 3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.355 -18.030 4.302 1.00 0.00 H new ATOM 0 HG LEU A 58 2.775 -16.068 5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.515 -17.982 7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.824 -18.305 5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.393 -19.013 6.346 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.440 -16.429 7.753 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.444 -17.359 6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.142 -15.629 6.327 1.00 0.00 H new ATOM 904 N ALA A 59 3.810 -15.737 1.515 1.00 0.00 N ATOM 905 CA ALA A 59 3.859 -15.838 0.066 1.00 0.00 C ATOM 906 C ALA A 59 5.138 -15.173 -0.445 1.00 0.00 C ATOM 907 O ALA A 59 5.367 -13.989 -0.202 1.00 0.00 O ATOM 908 CB ALA A 59 2.597 -15.212 -0.532 1.00 0.00 C ATOM 0 H ALA A 59 2.949 -15.336 1.886 1.00 0.00 H new ATOM 0 HA ALA A 59 3.884 -16.882 -0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.633 -15.287 -1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.718 -15.739 -0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.539 -14.163 -0.243 1.00 0.00 H new ATOM 914 N LYS A 60 5.940 -15.964 -1.143 1.00 0.00 N ATOM 915 CA LYS A 60 7.191 -15.467 -1.690 1.00 0.00 C ATOM 916 C LYS A 60 7.083 -15.398 -3.215 1.00 0.00 C ATOM 917 O LYS A 60 7.733 -14.568 -3.849 1.00 0.00 O ATOM 918 CB LYS A 60 8.366 -16.312 -1.194 1.00 0.00 C ATOM 919 CG LYS A 60 8.885 -15.795 0.149 1.00 0.00 C ATOM 920 CD LYS A 60 10.028 -14.798 -0.052 1.00 0.00 C ATOM 921 CE LYS A 60 11.372 -15.519 -0.162 1.00 0.00 C ATOM 922 NZ LYS A 60 11.595 -15.992 -1.546 1.00 0.00 N ATOM 0 H LYS A 60 5.748 -16.946 -1.342 1.00 0.00 H new ATOM 0 HA LYS A 60 7.386 -14.454 -1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.053 -17.351 -1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.169 -16.292 -1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.073 -15.317 0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.230 -16.632 0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.850 -14.213 -0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.055 -14.097 0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.177 -14.846 0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.395 -16.364 0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.615 -16.004 -1.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.210 -16.952 -1.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.117 -15.352 -2.213 1.00 0.00 H new ATOM 936 N SER A 61 6.258 -16.280 -3.759 1.00 0.00 N ATOM 937 CA SER A 61 6.057 -16.329 -5.197 1.00 0.00 C ATOM 938 C SER A 61 4.800 -15.545 -5.577 1.00 0.00 C ATOM 939 O SER A 61 4.076 -15.065 -4.706 1.00 0.00 O ATOM 940 CB SER A 61 5.950 -17.774 -5.689 1.00 0.00 C ATOM 941 OG SER A 61 7.019 -18.120 -6.565 1.00 0.00 O ATOM 0 H SER A 61 5.721 -16.967 -3.230 1.00 0.00 H new ATOM 0 HA SER A 61 6.922 -15.872 -5.679 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.949 -18.449 -4.833 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.000 -17.912 -6.205 1.00 0.00 H new ATOM 0 HG SER A 61 6.916 -19.050 -6.856 1.00 0.00 H new ATOM 947 N PRO A 62 4.573 -15.435 -6.913 1.00 0.00 N ATOM 948 CA PRO A 62 3.416 -14.716 -7.419 1.00 0.00 C ATOM 949 C PRO A 62 2.137 -15.537 -7.234 1.00 0.00 C ATOM 950 O PRO A 62 1.120 -15.013 -6.782 1.00 0.00 O ATOM 951 CB PRO A 62 3.735 -14.435 -8.879 1.00 0.00 C ATOM 952 CG PRO A 62 4.843 -15.403 -9.257 1.00 0.00 C ATOM 953 CD PRO A 62 5.409 -15.990 -7.974 1.00 0.00 C ATOM 0 HA PRO A 62 3.229 -13.787 -6.880 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.856 -14.583 -9.506 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.055 -13.402 -9.017 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.456 -16.194 -9.900 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.623 -14.889 -9.818 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.366 -17.079 -7.984 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.455 -15.714 -7.840 1.00 0.00 H new ATOM 961 N SER A 63 2.231 -16.809 -7.593 1.00 0.00 N ATOM 962 CA SER A 63 1.095 -17.706 -7.472 1.00 0.00 C ATOM 963 C SER A 63 0.595 -17.726 -6.026 1.00 0.00 C ATOM 964 O SER A 63 -0.610 -17.759 -5.783 1.00 0.00 O ATOM 965 CB SER A 63 1.459 -19.121 -7.927 1.00 0.00 C ATOM 966 OG SER A 63 1.021 -19.383 -9.257 1.00 0.00 O ATOM 0 H SER A 63 3.076 -17.239 -7.968 1.00 0.00 H new ATOM 0 HA SER A 63 0.299 -17.338 -8.120 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.539 -19.254 -7.868 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.011 -19.847 -7.248 1.00 0.00 H new ATOM 0 HG SER A 63 1.274 -20.295 -9.511 1.00 0.00 H new ATOM 972 N ASP A 64 1.547 -17.705 -5.104 1.00 0.00 N ATOM 973 CA ASP A 64 1.218 -17.720 -3.689 1.00 0.00 C ATOM 974 C ASP A 64 0.275 -16.557 -3.377 1.00 0.00 C ATOM 975 O ASP A 64 -0.752 -16.743 -2.725 1.00 0.00 O ATOM 976 CB ASP A 64 2.474 -17.554 -2.831 1.00 0.00 C ATOM 977 CG ASP A 64 2.469 -18.343 -1.520 1.00 0.00 C ATOM 978 OD1 ASP A 64 1.419 -18.314 -0.843 1.00 0.00 O ATOM 979 OD2 ASP A 64 3.517 -18.958 -1.224 1.00 0.00 O ATOM 0 H ASP A 64 2.546 -17.678 -5.310 1.00 0.00 H new ATOM 0 HA ASP A 64 0.749 -18.677 -3.461 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.340 -17.859 -3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.602 -16.496 -2.601 1.00 0.00 H new ATOM 984 N PHE A 65 0.656 -15.382 -3.855 1.00 0.00 N ATOM 985 CA PHE A 65 -0.143 -14.189 -3.635 1.00 0.00 C ATOM 986 C PHE A 65 -1.530 -14.334 -4.264 1.00 0.00 C ATOM 987 O PHE A 65 -2.496 -13.740 -3.788 1.00 0.00 O ATOM 988 CB PHE A 65 0.591 -13.028 -4.310 1.00 0.00 C ATOM 989 CG PHE A 65 1.811 -12.528 -3.535 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.749 -12.392 -2.183 1.00 0.00 C ATOM 991 CD2 PHE A 65 2.958 -12.219 -4.197 1.00 0.00 C ATOM 992 CE1 PHE A 65 2.881 -11.928 -1.463 1.00 0.00 C ATOM 993 CE2 PHE A 65 4.091 -11.754 -3.477 1.00 0.00 C ATOM 994 CZ PHE A 65 4.028 -11.619 -2.125 1.00 0.00 C ATOM 0 H PHE A 65 1.508 -15.231 -4.394 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.274 -14.021 -2.566 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.909 -13.342 -5.304 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.105 -12.200 -4.444 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.838 -12.637 -1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.008 -12.327 -5.270 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.831 -11.820 -0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.002 -11.508 -4.003 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.889 -11.266 -1.577 1.00 0.00 H new ATOM 1004 N LEU A 66 -1.584 -15.127 -5.324 1.00 0.00 N ATOM 1005 CA LEU A 66 -2.837 -15.358 -6.022 1.00 0.00 C ATOM 1006 C LEU A 66 -3.790 -16.133 -5.109 1.00 0.00 C ATOM 1007 O LEU A 66 -4.975 -16.264 -5.411 1.00 0.00 O ATOM 1008 CB LEU A 66 -2.582 -16.042 -7.367 1.00 0.00 C ATOM 1009 CG LEU A 66 -1.704 -15.271 -8.356 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -1.268 -16.168 -9.516 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -2.410 -14.005 -8.844 1.00 0.00 C ATOM 0 H LEU A 66 -0.780 -15.617 -5.716 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.322 -14.411 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.118 -17.010 -7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.544 -16.237 -7.841 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.800 -14.955 -7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.645 -15.596 -10.204 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.699 -17.013 -9.129 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.149 -16.535 -10.043 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.765 -13.476 -9.545 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.341 -14.276 -9.341 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.628 -13.359 -7.993 1.00 0.00 H new ATOM 1023 N ALA A 67 -3.236 -16.626 -4.011 1.00 0.00 N ATOM 1024 CA ALA A 67 -4.022 -17.384 -3.052 1.00 0.00 C ATOM 1025 C ALA A 67 -4.955 -16.434 -2.300 1.00 0.00 C ATOM 1026 O ALA A 67 -6.043 -16.828 -1.882 1.00 0.00 O ATOM 1027 CB ALA A 67 -3.085 -18.146 -2.114 1.00 0.00 C ATOM 0 H ALA A 67 -2.253 -16.515 -3.764 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.643 -18.121 -3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.674 -18.715 -1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.464 -18.828 -2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.448 -17.439 -1.583 1.00 0.00 H new ATOM 1033 N PHE A 68 -4.495 -15.200 -2.148 1.00 0.00 N ATOM 1034 CA PHE A 68 -5.275 -14.191 -1.453 1.00 0.00 C ATOM 1035 C PHE A 68 -6.063 -13.329 -2.442 1.00 0.00 C ATOM 1036 O PHE A 68 -5.511 -12.412 -3.048 1.00 0.00 O ATOM 1037 CB PHE A 68 -4.285 -13.303 -0.697 1.00 0.00 C ATOM 1038 CG PHE A 68 -3.339 -14.073 0.227 1.00 0.00 C ATOM 1039 CD1 PHE A 68 -3.700 -14.323 1.514 1.00 0.00 C ATOM 1040 CD2 PHE A 68 -2.138 -14.507 -0.239 1.00 0.00 C ATOM 1041 CE1 PHE A 68 -2.822 -15.037 2.372 1.00 0.00 C ATOM 1042 CE2 PHE A 68 -1.260 -15.222 0.618 1.00 0.00 C ATOM 1043 CZ PHE A 68 -1.620 -15.472 1.905 1.00 0.00 C ATOM 0 H PHE A 68 -3.592 -14.877 -2.495 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.988 -14.669 -0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.693 -12.740 -1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.842 -12.576 -0.106 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.655 -13.979 1.884 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.852 -14.308 -1.261 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.108 -15.235 3.395 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.306 -15.567 0.247 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.952 -16.016 2.557 1.00 0.00 H new ATOM 1053 N THR A 69 -7.340 -13.654 -2.574 1.00 0.00 N ATOM 1054 CA THR A 69 -8.209 -12.920 -3.479 1.00 0.00 C ATOM 1055 C THR A 69 -9.427 -12.379 -2.728 1.00 0.00 C ATOM 1056 O THR A 69 -10.565 -12.625 -3.124 1.00 0.00 O ATOM 1057 CB THR A 69 -8.574 -13.848 -4.639 1.00 0.00 C ATOM 1058 OG1 THR A 69 -9.115 -15.003 -4.004 1.00 0.00 O ATOM 1059 CG2 THR A 69 -7.342 -14.373 -5.380 1.00 0.00 C ATOM 0 H THR A 69 -7.794 -14.415 -2.070 1.00 0.00 H new ATOM 0 HA THR A 69 -7.705 -12.045 -3.889 1.00 0.00 H new ATOM 0 HB THR A 69 -9.219 -13.316 -5.339 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.380 -15.657 -4.684 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.658 -15.026 -6.193 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.777 -13.534 -5.787 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.713 -14.933 -4.688 1.00 0.00 H new ATOM 1067 N ASP A 70 -9.146 -11.652 -1.656 1.00 0.00 N ATOM 1068 CA ASP A 70 -10.204 -11.074 -0.846 1.00 0.00 C ATOM 1069 C ASP A 70 -10.326 -9.582 -1.162 1.00 0.00 C ATOM 1070 O ASP A 70 -11.425 -9.030 -1.155 1.00 0.00 O ATOM 1071 CB ASP A 70 -9.896 -11.217 0.646 1.00 0.00 C ATOM 1072 CG ASP A 70 -8.479 -10.810 1.056 1.00 0.00 C ATOM 1073 OD1 ASP A 70 -7.538 -11.258 0.365 1.00 0.00 O ATOM 1074 OD2 ASP A 70 -8.369 -10.060 2.050 1.00 0.00 O ATOM 0 H ASP A 70 -8.201 -11.450 -1.330 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.130 -11.601 -1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.608 -10.613 1.208 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.058 -12.255 0.937 1.00 0.00 H new ATOM 1079 N MET A 71 -9.182 -8.972 -1.433 1.00 0.00 N ATOM 1080 CA MET A 71 -9.146 -7.555 -1.752 1.00 0.00 C ATOM 1081 C MET A 71 -8.473 -7.314 -3.105 1.00 0.00 C ATOM 1082 O MET A 71 -7.633 -6.424 -3.234 1.00 0.00 O ATOM 1083 CB MET A 71 -8.381 -6.805 -0.660 1.00 0.00 C ATOM 1084 CG MET A 71 -8.986 -7.077 0.719 1.00 0.00 C ATOM 1085 SD MET A 71 -8.000 -6.295 1.984 1.00 0.00 S ATOM 1086 CE MET A 71 -8.083 -4.598 1.437 1.00 0.00 C ATOM 0 H MET A 71 -8.272 -9.433 -1.438 1.00 0.00 H new ATOM 0 HA MET A 71 -10.171 -7.188 -1.807 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.335 -7.111 -0.669 1.00 0.00 H new ATOM 0 HB3 MET A 71 -8.402 -5.735 -0.866 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.008 -6.699 0.758 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.036 -8.151 0.898 1.00 0.00 H new ATOM 0 HE1 MET A 71 -7.720 -3.942 2.228 1.00 0.00 H new ATOM 0 HE2 MET A 71 -7.464 -4.471 0.548 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.116 -4.342 1.200 1.00 0.00 H new ATOM 1096 N ALA A 72 -8.866 -8.122 -4.078 1.00 0.00 N ATOM 1097 CA ALA A 72 -8.311 -8.007 -5.416 1.00 0.00 C ATOM 1098 C ALA A 72 -9.231 -7.135 -6.272 1.00 0.00 C ATOM 1099 O ALA A 72 -8.761 -6.362 -7.105 1.00 0.00 O ATOM 1100 CB ALA A 72 -8.115 -9.404 -6.008 1.00 0.00 C ATOM 0 H ALA A 72 -9.562 -8.859 -3.967 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.334 -7.525 -5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.699 -9.319 -7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.431 -9.973 -5.379 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.076 -9.917 -6.056 1.00 0.00 H new ATOM 1106 N ASP A 73 -10.526 -7.288 -6.038 1.00 0.00 N ATOM 1107 CA ASP A 73 -11.516 -6.524 -6.777 1.00 0.00 C ATOM 1108 C ASP A 73 -11.372 -5.041 -6.431 1.00 0.00 C ATOM 1109 O ASP A 73 -11.431 -4.664 -5.262 1.00 0.00 O ATOM 1110 CB ASP A 73 -12.936 -6.959 -6.409 1.00 0.00 C ATOM 1111 CG ASP A 73 -14.047 -6.309 -7.235 1.00 0.00 C ATOM 1112 OD1 ASP A 73 -14.127 -6.639 -8.438 1.00 0.00 O ATOM 1113 OD2 ASP A 73 -14.791 -5.496 -6.646 1.00 0.00 O ATOM 0 H ASP A 73 -10.913 -7.930 -5.346 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.350 -6.698 -7.840 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.008 -8.041 -6.519 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.107 -6.733 -5.356 1.00 0.00 H new ATOM 1118 N PRO A 74 -11.180 -4.218 -7.497 1.00 0.00 N ATOM 1119 CA PRO A 74 -11.026 -2.784 -7.318 1.00 0.00 C ATOM 1120 C PRO A 74 -12.371 -2.124 -7.006 1.00 0.00 C ATOM 1121 O PRO A 74 -12.414 -0.988 -6.536 1.00 0.00 O ATOM 1122 CB PRO A 74 -10.408 -2.289 -8.615 1.00 0.00 C ATOM 1123 CG PRO A 74 -10.666 -3.379 -9.642 1.00 0.00 C ATOM 1124 CD PRO A 74 -11.104 -4.629 -8.896 1.00 0.00 C ATOM 0 HA PRO A 74 -10.391 -2.532 -6.469 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.856 -1.345 -8.926 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.339 -2.110 -8.495 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.437 -3.065 -10.346 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.765 -3.577 -10.223 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.068 -4.988 -9.256 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.390 -5.442 -9.032 1.00 0.00 H new ATOM 1132 N ASN A 75 -13.435 -2.863 -7.281 1.00 0.00 N ATOM 1133 CA ASN A 75 -14.777 -2.364 -7.036 1.00 0.00 C ATOM 1134 C ASN A 75 -15.233 -2.802 -5.642 1.00 0.00 C ATOM 1135 O ASN A 75 -16.289 -2.382 -5.171 1.00 0.00 O ATOM 1136 CB ASN A 75 -15.769 -2.926 -8.056 1.00 0.00 C ATOM 1137 CG ASN A 75 -16.108 -1.883 -9.123 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -17.181 -1.303 -9.142 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -15.136 -1.677 -10.007 1.00 0.00 N ATOM 0 H ASN A 75 -13.395 -3.804 -7.672 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.753 -1.277 -7.118 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.346 -3.812 -8.530 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -16.680 -3.241 -7.547 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.265 -0.999 -10.758 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.261 -2.197 -9.934 1.00 0.00 H new ATOM 1146 N LEU A 76 -14.415 -3.640 -5.023 1.00 0.00 N ATOM 1147 CA LEU A 76 -14.721 -4.139 -3.693 1.00 0.00 C ATOM 1148 C LEU A 76 -14.447 -3.040 -2.665 1.00 0.00 C ATOM 1149 O LEU A 76 -13.499 -2.271 -2.811 1.00 0.00 O ATOM 1150 CB LEU A 76 -13.962 -5.439 -3.421 1.00 0.00 C ATOM 1151 CG LEU A 76 -13.844 -5.852 -1.953 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -14.623 -7.141 -1.682 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -12.377 -5.970 -1.533 1.00 0.00 C ATOM 0 H LEU A 76 -13.541 -3.986 -5.418 1.00 0.00 H new ATOM 0 HA LEU A 76 -15.778 -4.392 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.454 -6.245 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.957 -5.343 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.293 -5.070 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.523 -7.413 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -15.676 -6.986 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.226 -7.944 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.321 -6.265 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.882 -6.721 -2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.882 -5.008 -1.666 1.00 0.00 H new ATOM 1165 N ARG A 77 -15.295 -3.002 -1.647 1.00 0.00 N ATOM 1166 CA ARG A 77 -15.155 -2.010 -0.594 1.00 0.00 C ATOM 1167 C ARG A 77 -14.506 -2.635 0.642 1.00 0.00 C ATOM 1168 O ARG A 77 -14.704 -3.817 0.921 1.00 0.00 O ATOM 1169 CB ARG A 77 -16.515 -1.424 -0.207 1.00 0.00 C ATOM 1170 CG ARG A 77 -17.079 -0.556 -1.333 1.00 0.00 C ATOM 1171 CD ARG A 77 -18.599 -0.424 -1.215 1.00 0.00 C ATOM 1172 NE ARG A 77 -19.101 0.551 -2.208 1.00 0.00 N ATOM 1173 CZ ARG A 77 -19.279 0.275 -3.507 1.00 0.00 C ATOM 1174 NH1 ARG A 77 -18.996 -0.947 -3.978 1.00 0.00 N ATOM 1175 NH2 ARG A 77 -19.739 1.222 -4.336 1.00 0.00 N ATOM 0 H ARG A 77 -16.081 -3.642 -1.529 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.521 -1.209 -0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.212 -2.231 0.018 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.413 -0.828 0.700 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.621 0.432 -1.299 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.822 -0.994 -2.298 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -19.070 -1.394 -1.375 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.867 -0.102 -0.209 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.326 1.492 -1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.645 -1.668 -3.348 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -19.132 -1.156 -4.967 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -19.954 2.153 -3.978 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -19.875 1.012 -5.325 1.00 0.00 H new ATOM 1189 N ILE A 78 -13.743 -1.815 1.349 1.00 0.00 N ATOM 1190 CA ILE A 78 -13.063 -2.272 2.549 1.00 0.00 C ATOM 1191 C ILE A 78 -14.101 -2.740 3.571 1.00 0.00 C ATOM 1192 O ILE A 78 -13.796 -3.549 4.445 1.00 0.00 O ATOM 1193 CB ILE A 78 -12.124 -1.188 3.079 1.00 0.00 C ATOM 1194 CG1 ILE A 78 -12.899 0.080 3.442 1.00 0.00 C ATOM 1195 CG2 ILE A 78 -10.996 -0.905 2.084 1.00 0.00 C ATOM 1196 CD1 ILE A 78 -12.101 0.952 4.413 1.00 0.00 C ATOM 0 H ILE A 78 -13.580 -0.836 1.114 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.428 -3.129 2.324 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.661 -1.556 3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.121 0.646 2.537 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.855 -0.190 3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.343 -0.130 2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.420 -1.815 1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.421 -0.567 1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -12.675 1.847 4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.902 0.391 5.326 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.157 1.240 3.951 1.00 0.00 H new ATOM 1208 N SER A 79 -15.307 -2.210 3.427 1.00 0.00 N ATOM 1209 CA SER A 79 -16.392 -2.563 4.327 1.00 0.00 C ATOM 1210 C SER A 79 -16.591 -4.080 4.337 1.00 0.00 C ATOM 1211 O SER A 79 -17.170 -4.628 5.274 1.00 0.00 O ATOM 1212 CB SER A 79 -17.691 -1.860 3.927 1.00 0.00 C ATOM 1213 OG SER A 79 -18.524 -1.597 5.052 1.00 0.00 O ATOM 0 H SER A 79 -15.557 -1.539 2.701 1.00 0.00 H new ATOM 0 HA SER A 79 -16.125 -2.231 5.330 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.456 -0.922 3.423 1.00 0.00 H new ATOM 0 HB3 SER A 79 -18.233 -2.479 3.212 1.00 0.00 H new ATOM 0 HG SER A 79 -19.342 -1.146 4.755 1.00 0.00 H new ATOM 1219 N SER A 80 -16.100 -4.716 3.284 1.00 0.00 N ATOM 1220 CA SER A 80 -16.216 -6.159 3.160 1.00 0.00 C ATOM 1221 C SER A 80 -15.531 -6.844 4.344 1.00 0.00 C ATOM 1222 O SER A 80 -15.983 -7.889 4.809 1.00 0.00 O ATOM 1223 CB SER A 80 -15.613 -6.649 1.842 1.00 0.00 C ATOM 1224 OG SER A 80 -15.649 -8.070 1.733 1.00 0.00 O ATOM 0 H SER A 80 -15.621 -4.258 2.509 1.00 0.00 H new ATOM 0 HA SER A 80 -17.275 -6.418 3.162 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.158 -6.208 1.008 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.581 -6.306 1.766 1.00 0.00 H new ATOM 0 HG SER A 80 -14.815 -8.388 1.328 1.00 0.00 H new ATOM 1230 N LEU A 81 -14.450 -6.226 4.798 1.00 0.00 N ATOM 1231 CA LEU A 81 -13.697 -6.763 5.919 1.00 0.00 C ATOM 1232 C LEU A 81 -13.981 -5.924 7.167 1.00 0.00 C ATOM 1233 O LEU A 81 -13.720 -6.361 8.286 1.00 0.00 O ATOM 1234 CB LEU A 81 -12.211 -6.861 5.569 1.00 0.00 C ATOM 1235 CG LEU A 81 -11.865 -6.771 4.081 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -10.368 -6.526 3.880 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -12.348 -8.014 3.330 1.00 0.00 C ATOM 0 H LEU A 81 -14.078 -5.359 4.410 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.016 -7.782 6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.681 -6.066 6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.829 -7.806 5.954 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.391 -5.915 3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.149 -6.466 2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.085 -5.590 4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.803 -7.347 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.090 -7.925 2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.869 -8.900 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.429 -8.104 3.432 1.00 0.00 H new ATOM 1249 N ASN A 82 -14.511 -4.732 6.931 1.00 0.00 N ATOM 1250 CA ASN A 82 -14.833 -3.828 8.022 1.00 0.00 C ATOM 1251 C ASN A 82 -13.538 -3.339 8.673 1.00 0.00 C ATOM 1252 O ASN A 82 -13.181 -3.782 9.763 1.00 0.00 O ATOM 1253 CB ASN A 82 -15.664 -4.533 9.095 1.00 0.00 C ATOM 1254 CG ASN A 82 -17.097 -3.997 9.120 1.00 0.00 C ATOM 1255 OD1 ASN A 82 -17.968 -4.444 8.393 1.00 0.00 O ATOM 1256 ND2 ASN A 82 -17.291 -3.014 9.996 1.00 0.00 N ATOM 0 H ASN A 82 -14.725 -4.372 6.001 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.405 -2.996 7.612 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.677 -5.606 8.903 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.201 -4.389 10.071 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -18.213 -2.588 10.089 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.518 -2.687 10.575 1.00 0.00 H new ATOM 1263 N LEU A 83 -12.869 -2.432 7.976 1.00 0.00 N ATOM 1264 CA LEU A 83 -11.620 -1.878 8.473 1.00 0.00 C ATOM 1265 C LEU A 83 -11.889 -0.510 9.102 1.00 0.00 C ATOM 1266 O LEU A 83 -12.336 0.413 8.422 1.00 0.00 O ATOM 1267 CB LEU A 83 -10.568 -1.848 7.362 1.00 0.00 C ATOM 1268 CG LEU A 83 -10.260 -3.190 6.694 1.00 0.00 C ATOM 1269 CD1 LEU A 83 -9.762 -4.211 7.718 1.00 0.00 C ATOM 1270 CD2 LEU A 83 -11.472 -3.705 5.914 1.00 0.00 C ATOM 0 H LEU A 83 -13.168 -2.067 7.072 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.206 -2.513 9.256 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.900 -1.150 6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.642 -1.450 7.776 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.455 -3.037 5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.551 -5.156 7.217 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.853 -3.839 8.190 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.527 -4.367 8.478 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.227 -4.660 5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.313 -3.838 6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.741 -2.984 5.142 1.00 0.00 H new ATOM 1282 N ALA A 84 -11.606 -0.422 10.393 1.00 0.00 N ATOM 1283 CA ALA A 84 -11.811 0.818 11.122 1.00 0.00 C ATOM 1284 C ALA A 84 -10.454 1.412 11.502 1.00 0.00 C ATOM 1285 O ALA A 84 -9.421 0.763 11.341 1.00 0.00 O ATOM 1286 CB ALA A 84 -12.695 0.553 12.343 1.00 0.00 C ATOM 0 H ALA A 84 -11.236 -1.190 10.953 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.327 1.548 10.499 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.849 1.483 12.890 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.658 0.161 12.017 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.209 -0.174 12.993 1.00 0.00 H new ATOM 1292 N HIS A 85 -10.499 2.639 12.001 1.00 0.00 N ATOM 1293 CA HIS A 85 -9.285 3.328 12.406 1.00 0.00 C ATOM 1294 C HIS A 85 -8.591 2.535 13.515 1.00 0.00 C ATOM 1295 O HIS A 85 -8.783 2.817 14.697 1.00 0.00 O ATOM 1296 CB HIS A 85 -9.589 4.772 12.809 1.00 0.00 C ATOM 1297 CG HIS A 85 -8.362 5.641 12.950 1.00 0.00 C ATOM 1298 ND1 HIS A 85 -8.359 6.990 12.639 1.00 0.00 N ATOM 1299 CD2 HIS A 85 -7.100 5.340 13.371 1.00 0.00 C ATOM 1300 CE1 HIS A 85 -7.145 7.469 12.866 1.00 0.00 C ATOM 1301 NE2 HIS A 85 -6.366 6.445 13.319 1.00 0.00 N ATOM 0 H HIS A 85 -11.357 3.174 12.134 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.596 3.385 11.563 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.252 5.214 12.065 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.130 4.768 13.755 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.756 4.368 13.692 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.828 8.491 12.718 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -5.381 6.517 13.576 1.00 0.00 H new ATOM 1309 N GLY A 86 -7.800 1.559 13.095 1.00 0.00 N ATOM 1310 CA GLY A 86 -7.076 0.724 14.038 1.00 0.00 C ATOM 1311 C GLY A 86 -6.851 -0.678 13.469 1.00 0.00 C ATOM 1312 O GLY A 86 -5.818 -1.297 13.722 1.00 0.00 O ATOM 0 H GLY A 86 -7.645 1.328 12.114 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.116 1.183 14.273 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.634 0.656 14.972 1.00 0.00 H new ATOM 1316 N SER A 87 -7.834 -1.139 12.709 1.00 0.00 N ATOM 1317 CA SER A 87 -7.756 -2.456 12.101 1.00 0.00 C ATOM 1318 C SER A 87 -6.346 -2.701 11.561 1.00 0.00 C ATOM 1319 O SER A 87 -5.570 -1.761 11.394 1.00 0.00 O ATOM 1320 CB SER A 87 -8.787 -2.608 10.981 1.00 0.00 C ATOM 1321 OG SER A 87 -10.099 -2.253 11.411 1.00 0.00 O ATOM 0 H SER A 87 -8.689 -0.623 12.501 1.00 0.00 H new ATOM 0 HA SER A 87 -7.979 -3.199 12.867 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.500 -1.981 10.137 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.788 -3.639 10.627 1.00 0.00 H new ATOM 0 HG SER A 87 -10.696 -3.024 11.311 1.00 0.00 H new ATOM 1327 N MET A 88 -6.057 -3.968 11.303 1.00 0.00 N ATOM 1328 CA MET A 88 -4.754 -4.347 10.785 1.00 0.00 C ATOM 1329 C MET A 88 -4.878 -4.977 9.396 1.00 0.00 C ATOM 1330 O MET A 88 -5.900 -5.581 9.074 1.00 0.00 O ATOM 1331 CB MET A 88 -4.095 -5.344 11.741 1.00 0.00 C ATOM 1332 CG MET A 88 -2.828 -5.939 11.124 1.00 0.00 C ATOM 1333 SD MET A 88 -1.595 -4.666 10.913 1.00 0.00 S ATOM 1334 CE MET A 88 -0.434 -5.144 12.181 1.00 0.00 C ATOM 0 H MET A 88 -6.703 -4.745 11.443 1.00 0.00 H new ATOM 0 HA MET A 88 -4.141 -3.449 10.703 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.848 -4.846 12.678 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.797 -6.143 11.980 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.439 -6.731 11.764 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.061 -6.394 10.161 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.231 -4.291 12.828 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.856 -5.956 12.773 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.495 -5.477 11.717 1.00 0.00 H new ATOM 1344 N VAL A 89 -3.823 -4.815 8.611 1.00 0.00 N ATOM 1345 CA VAL A 89 -3.801 -5.361 7.265 1.00 0.00 C ATOM 1346 C VAL A 89 -2.362 -5.717 6.887 1.00 0.00 C ATOM 1347 O VAL A 89 -1.417 -5.267 7.533 1.00 0.00 O ATOM 1348 CB VAL A 89 -4.448 -4.375 6.290 1.00 0.00 C ATOM 1349 CG1 VAL A 89 -4.207 -4.799 4.840 1.00 0.00 C ATOM 1350 CG2 VAL A 89 -5.944 -4.224 6.575 1.00 0.00 C ATOM 0 H VAL A 89 -2.977 -4.313 8.882 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.387 -6.279 7.216 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.979 -3.402 6.437 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.677 -4.081 4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.135 -4.832 4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.636 -5.787 4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.380 -3.518 5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.434 -5.192 6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.085 -3.855 7.591 1.00 0.00 H new ATOM 1360 N TYR A 90 -2.241 -6.523 5.842 1.00 0.00 N ATOM 1361 CA TYR A 90 -0.933 -6.945 5.370 1.00 0.00 C ATOM 1362 C TYR A 90 -0.753 -6.619 3.886 1.00 0.00 C ATOM 1363 O TYR A 90 -1.564 -7.025 3.056 1.00 0.00 O ATOM 1364 CB TYR A 90 -0.887 -8.463 5.556 1.00 0.00 C ATOM 1365 CG TYR A 90 -0.942 -8.913 7.017 1.00 0.00 C ATOM 1366 CD1 TYR A 90 0.212 -8.939 7.775 1.00 0.00 C ATOM 1367 CD2 TYR A 90 -2.144 -9.293 7.578 1.00 0.00 C ATOM 1368 CE1 TYR A 90 0.160 -9.363 9.150 1.00 0.00 C ATOM 1369 CE2 TYR A 90 -2.196 -9.717 8.953 1.00 0.00 C ATOM 1370 CZ TYR A 90 -1.041 -9.731 9.671 1.00 0.00 C ATOM 1371 OH TYR A 90 -1.090 -10.131 10.970 1.00 0.00 O ATOM 0 H TYR A 90 -3.027 -6.895 5.309 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.143 -6.432 5.919 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.722 -8.910 5.017 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.027 -8.847 5.103 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.153 -8.641 7.337 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.047 -9.272 6.985 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.055 -9.388 9.754 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.130 -10.017 9.404 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.012 -10.363 11.206 1.00 0.00 H new ATOM 1381 N LEU A 91 0.314 -5.888 3.598 1.00 0.00 N ATOM 1382 CA LEU A 91 0.610 -5.503 2.229 1.00 0.00 C ATOM 1383 C LEU A 91 1.658 -6.456 1.651 1.00 0.00 C ATOM 1384 O LEU A 91 2.433 -7.056 2.394 1.00 0.00 O ATOM 1385 CB LEU A 91 1.015 -4.029 2.163 1.00 0.00 C ATOM 1386 CG LEU A 91 1.481 -3.522 0.796 1.00 0.00 C ATOM 1387 CD1 LEU A 91 0.288 -3.225 -0.114 1.00 0.00 C ATOM 1388 CD2 LEU A 91 2.404 -2.312 0.946 1.00 0.00 C ATOM 0 H LEU A 91 0.984 -5.552 4.290 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.280 -5.593 1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.166 -3.425 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.815 -3.860 2.883 1.00 0.00 H new ATOM 0 HG LEU A 91 2.061 -4.311 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.647 -2.866 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.295 -4.135 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.340 -2.462 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.721 -1.972 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.871 -1.508 1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.280 -2.593 1.531 1.00 0.00 H new ATOM 1400 N ALA A 92 1.649 -6.564 0.331 1.00 0.00 N ATOM 1401 CA ALA A 92 2.589 -7.434 -0.355 1.00 0.00 C ATOM 1402 C ALA A 92 2.747 -6.966 -1.804 1.00 0.00 C ATOM 1403 O ALA A 92 1.774 -6.925 -2.556 1.00 0.00 O ATOM 1404 CB ALA A 92 2.108 -8.883 -0.261 1.00 0.00 C ATOM 0 H ALA A 92 1.006 -6.063 -0.282 1.00 0.00 H new ATOM 0 HA ALA A 92 3.570 -7.385 0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.814 -9.535 -0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.041 -9.177 0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.126 -8.971 -0.727 1.00 0.00 H new ATOM 1410 N TYR A 93 3.979 -6.624 -2.151 1.00 0.00 N ATOM 1411 CA TYR A 93 4.276 -6.161 -3.495 1.00 0.00 C ATOM 1412 C TYR A 93 5.516 -6.861 -4.055 1.00 0.00 C ATOM 1413 O TYR A 93 6.357 -7.342 -3.297 1.00 0.00 O ATOM 1414 CB TYR A 93 4.564 -4.663 -3.371 1.00 0.00 C ATOM 1415 CG TYR A 93 5.649 -4.321 -2.348 1.00 0.00 C ATOM 1416 CD1 TYR A 93 5.319 -4.160 -1.018 1.00 0.00 C ATOM 1417 CD2 TYR A 93 6.959 -4.173 -2.756 1.00 0.00 C ATOM 1418 CE1 TYR A 93 6.340 -3.837 -0.056 1.00 0.00 C ATOM 1419 CE2 TYR A 93 7.981 -3.850 -1.794 1.00 0.00 C ATOM 1420 CZ TYR A 93 7.621 -3.699 -0.491 1.00 0.00 C ATOM 1421 OH TYR A 93 8.586 -3.394 0.417 1.00 0.00 O ATOM 0 H TYR A 93 4.783 -6.658 -1.524 1.00 0.00 H new ATOM 0 HA TYR A 93 3.444 -6.373 -4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.864 -4.279 -4.346 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.644 -4.148 -3.095 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.294 -4.276 -0.698 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.218 -4.299 -3.797 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.094 -3.707 0.988 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.010 -3.730 -2.100 1.00 0.00 H new ATOM 0 HH TYR A 93 9.452 -3.328 -0.036 1.00 0.00 H new ATOM 1431 N GLU A 94 5.590 -6.896 -5.377 1.00 0.00 N ATOM 1432 CA GLU A 94 6.713 -7.530 -6.047 1.00 0.00 C ATOM 1433 C GLU A 94 7.748 -6.480 -6.456 1.00 0.00 C ATOM 1434 O GLU A 94 7.395 -5.343 -6.767 1.00 0.00 O ATOM 1435 CB GLU A 94 6.244 -8.338 -7.259 1.00 0.00 C ATOM 1436 CG GLU A 94 6.236 -7.476 -8.523 1.00 0.00 C ATOM 1437 CD GLU A 94 5.563 -8.212 -9.684 1.00 0.00 C ATOM 1438 OE1 GLU A 94 4.866 -9.208 -9.396 1.00 0.00 O ATOM 1439 OE2 GLU A 94 5.762 -7.761 -10.833 1.00 0.00 O ATOM 0 H GLU A 94 4.891 -6.496 -6.002 1.00 0.00 H new ATOM 0 HA GLU A 94 7.183 -8.223 -5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.900 -9.196 -7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.243 -8.729 -7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.711 -6.541 -8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.258 -7.216 -8.797 1.00 0.00 H new ATOM 1446 N GLY A 95 9.005 -6.898 -6.442 1.00 0.00 N ATOM 1447 CA GLY A 95 10.094 -6.008 -6.808 1.00 0.00 C ATOM 1448 C GLY A 95 10.314 -4.941 -5.734 1.00 0.00 C ATOM 1449 O GLY A 95 10.611 -5.264 -4.584 1.00 0.00 O ATOM 0 H GLY A 95 9.294 -7.841 -6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.009 -6.584 -6.946 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.872 -5.529 -7.762 1.00 0.00 H new ATOM 1453 N GLU A 96 10.160 -3.691 -6.146 1.00 0.00 N ATOM 1454 CA GLU A 96 10.338 -2.575 -5.233 1.00 0.00 C ATOM 1455 C GLU A 96 9.305 -1.483 -5.522 1.00 0.00 C ATOM 1456 O GLU A 96 8.435 -1.657 -6.373 1.00 0.00 O ATOM 1457 CB GLU A 96 11.761 -2.019 -5.318 1.00 0.00 C ATOM 1458 CG GLU A 96 12.055 -1.475 -6.717 1.00 0.00 C ATOM 1459 CD GLU A 96 12.478 -0.006 -6.657 1.00 0.00 C ATOM 1460 OE1 GLU A 96 11.993 0.686 -5.736 1.00 0.00 O ATOM 1461 OE2 GLU A 96 13.275 0.391 -7.533 1.00 0.00 O ATOM 0 H GLU A 96 9.914 -3.427 -7.100 1.00 0.00 H new ATOM 0 HA GLU A 96 10.183 -2.935 -4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.890 -1.226 -4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.477 -2.803 -5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.844 -2.066 -7.182 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.169 -1.577 -7.344 1.00 0.00 H new ATOM 1468 N ARG A 97 9.436 -0.383 -4.796 1.00 0.00 N ATOM 1469 CA ARG A 97 8.525 0.737 -4.963 1.00 0.00 C ATOM 1470 C ARG A 97 8.982 1.624 -6.123 1.00 0.00 C ATOM 1471 O ARG A 97 9.797 1.208 -6.945 1.00 0.00 O ATOM 1472 CB ARG A 97 8.445 1.577 -3.688 1.00 0.00 C ATOM 1473 CG ARG A 97 8.645 0.708 -2.445 1.00 0.00 C ATOM 1474 CD ARG A 97 8.144 1.423 -1.189 1.00 0.00 C ATOM 1475 NE ARG A 97 9.217 1.472 -0.171 1.00 0.00 N ATOM 1476 CZ ARG A 97 10.273 2.296 -0.232 1.00 0.00 C ATOM 1477 NH1 ARG A 97 10.402 3.144 -1.261 1.00 0.00 N ATOM 1478 NH2 ARG A 97 11.198 2.271 0.737 1.00 0.00 N ATOM 0 H ARG A 97 10.159 -0.243 -4.091 1.00 0.00 H new ATOM 0 HA ARG A 97 7.537 0.331 -5.179 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.204 2.359 -3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.477 2.074 -3.636 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.113 -0.235 -2.567 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.702 0.466 -2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.823 2.434 -1.440 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.274 0.903 -0.787 1.00 0.00 H new ATOM 0 HE ARG A 97 9.149 0.840 0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.697 3.163 -1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 97 11.205 3.771 -1.308 1.00 0.00 H new ATOM 0 HH21 ARG A 97 11.099 1.625 1.520 1.00 0.00 H new ATOM 0 HH22 ARG A 97 12.002 2.898 0.691 1.00 0.00 H new ATOM 1492 N THR A 98 8.437 2.832 -6.152 1.00 0.00 N ATOM 1493 CA THR A 98 8.779 3.782 -7.198 1.00 0.00 C ATOM 1494 C THR A 98 9.321 5.075 -6.586 1.00 0.00 C ATOM 1495 O THR A 98 9.670 5.110 -5.407 1.00 0.00 O ATOM 1496 CB THR A 98 7.538 3.994 -8.067 1.00 0.00 C ATOM 1497 OG1 THR A 98 6.506 4.297 -7.132 1.00 0.00 O ATOM 1498 CG2 THR A 98 7.065 2.703 -8.738 1.00 0.00 C ATOM 0 H THR A 98 7.762 3.174 -5.469 1.00 0.00 H new ATOM 0 HA THR A 98 9.578 3.401 -7.834 1.00 0.00 H new ATOM 0 HB THR A 98 7.754 4.742 -8.830 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.030 3.475 -6.892 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.182 2.910 -9.343 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.858 2.313 -9.376 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.818 1.966 -7.974 1.00 0.00 H new