USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 592 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 53 MET CE :methyl -112:sc= -2.59! (180deg=-5.04!) USER MOD Set 1.2: A 56 GLN : amide:sc= -2.97! C(o=-5.6!,f=-9.1!) USER MOD Set 2.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 36 MET CE :methyl 144:sc= -0.422 (180deg=-2.23!) USER MOD Set 3.1: A 19 MET CE :methyl -124:sc= -0.267 (180deg=-1.5) USER MOD Set 3.2: A 22 TYR OH : rot -168:sc= 0.97 USER MOD Set 3.3: A 55 HIS : no HD1:sc= -0.809 K(o=-0.11,f=-3.6) USER MOD Single : A 1 GLY N :NH3+ -176:sc= 0 (180deg=-0.0185) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 21:sc= 0.459 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= -3.69! C(o=-3.7!,f=-6.8!) USER MOD Single : A 31 TYR OH : rot 85:sc= 0.00768 USER MOD Single : A 32 SER OG : rot -19:sc= 0.272 USER MOD Single : A 40 MET CE :methyl -163:sc= -7.16! (180deg=-9!) USER MOD Single : A 41 ASN : amide:sc= -1.02 K(o=-1,f=-2.2!) USER MOD Single : A 43 GLN : amide:sc= -0.959 K(o=-0.96,f=-3.5!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 80:sc= 0.341 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.972 F(o=-2,f=-0.97) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 178:sc= -6.26! (180deg=-6.33!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -40:sc= 0.548 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 37:sc= 0.685 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.432 13.669 1.237 1.00 0.00 N ATOM 2 CA GLY A 1 15.871 13.644 1.050 1.00 0.00 C ATOM 3 C GLY A 1 16.394 12.251 0.761 1.00 0.00 C ATOM 4 O GLY A 1 17.238 12.067 -0.116 1.00 0.00 O ATOM 0 H1 GLY A 1 14.115 14.651 1.364 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.966 13.261 0.402 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.182 13.113 2.079 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.139 14.307 0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.357 14.033 1.945 1.00 0.00 H new ATOM 8 N SER A 2 15.893 11.267 1.501 1.00 0.00 N ATOM 9 CA SER A 2 16.319 9.884 1.323 1.00 0.00 C ATOM 10 C SER A 2 15.560 9.224 0.176 1.00 0.00 C ATOM 11 O SER A 2 16.161 8.668 -0.743 1.00 0.00 O ATOM 12 CB SER A 2 16.104 9.091 2.614 1.00 0.00 C ATOM 13 OG SER A 2 16.268 7.701 2.393 1.00 0.00 O ATOM 0 H SER A 2 15.192 11.402 2.229 1.00 0.00 H new ATOM 0 HA SER A 2 17.381 9.887 1.079 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.810 9.427 3.373 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.104 9.285 3.001 1.00 0.00 H new ATOM 0 HG SER A 2 16.127 7.217 3.234 1.00 0.00 H new ATOM 19 N SER A 3 14.233 9.291 0.238 1.00 0.00 N ATOM 20 CA SER A 3 13.390 8.697 -0.793 1.00 0.00 C ATOM 21 C SER A 3 12.038 9.402 -0.861 1.00 0.00 C ATOM 22 O SER A 3 11.378 9.602 0.158 1.00 0.00 O ATOM 23 CB SER A 3 13.187 7.206 -0.520 1.00 0.00 C ATOM 24 OG SER A 3 14.265 6.442 -1.033 1.00 0.00 O ATOM 0 H SER A 3 13.720 9.750 0.990 1.00 0.00 H new ATOM 0 HA SER A 3 13.893 8.818 -1.753 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.097 7.039 0.553 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.253 6.874 -0.974 1.00 0.00 H new ATOM 0 HG SER A 3 15.048 7.019 -1.151 1.00 0.00 H new ATOM 30 N GLY A 4 11.633 9.775 -2.071 1.00 0.00 N ATOM 31 CA GLY A 4 10.362 10.454 -2.251 1.00 0.00 C ATOM 32 C GLY A 4 9.180 9.577 -1.888 1.00 0.00 C ATOM 33 O GLY A 4 9.318 8.360 -1.759 1.00 0.00 O ATOM 0 H GLY A 4 12.161 9.620 -2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.344 11.355 -1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.268 10.774 -3.289 1.00 0.00 H new ATOM 37 N SER A 5 8.015 10.195 -1.723 1.00 0.00 N ATOM 38 CA SER A 5 6.805 9.463 -1.367 1.00 0.00 C ATOM 39 C SER A 5 6.020 9.072 -2.615 1.00 0.00 C ATOM 40 O SER A 5 6.062 9.766 -3.631 1.00 0.00 O ATOM 41 CB SER A 5 5.927 10.307 -0.442 1.00 0.00 C ATOM 42 OG SER A 5 6.583 10.567 0.787 1.00 0.00 O ATOM 0 H SER A 5 7.883 11.201 -1.830 1.00 0.00 H new ATOM 0 HA SER A 5 7.101 8.553 -0.845 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.678 11.249 -0.931 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.987 9.788 -0.254 1.00 0.00 H new ATOM 0 HG SER A 5 6.002 11.110 1.360 1.00 0.00 H new ATOM 48 N SER A 6 5.306 7.954 -2.531 1.00 0.00 N ATOM 49 CA SER A 6 4.513 7.468 -3.655 1.00 0.00 C ATOM 50 C SER A 6 5.400 7.189 -4.865 1.00 0.00 C ATOM 51 O SER A 6 5.046 7.517 -5.996 1.00 0.00 O ATOM 52 CB SER A 6 3.433 8.486 -4.023 1.00 0.00 C ATOM 53 OG SER A 6 2.583 8.750 -2.920 1.00 0.00 O ATOM 0 H SER A 6 5.260 7.368 -1.697 1.00 0.00 H new ATOM 0 HA SER A 6 4.035 6.536 -3.354 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.901 9.413 -4.356 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.843 8.109 -4.858 1.00 0.00 H new ATOM 0 HG SER A 6 1.902 9.405 -3.181 1.00 0.00 H new ATOM 59 N GLY A 7 6.556 6.582 -4.616 1.00 0.00 N ATOM 60 CA GLY A 7 7.477 6.269 -5.693 1.00 0.00 C ATOM 61 C GLY A 7 8.484 5.205 -5.305 1.00 0.00 C ATOM 62 O GLY A 7 9.654 5.281 -5.679 1.00 0.00 O ATOM 0 H GLY A 7 6.871 6.301 -3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.913 5.931 -6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.006 7.175 -5.989 1.00 0.00 H new ATOM 66 N LEU A 8 8.029 4.209 -4.552 1.00 0.00 N ATOM 67 CA LEU A 8 8.899 3.124 -4.111 1.00 0.00 C ATOM 68 C LEU A 8 8.348 1.772 -4.549 1.00 0.00 C ATOM 69 O LEU A 8 7.303 1.694 -5.196 1.00 0.00 O ATOM 70 CB LEU A 8 9.057 3.156 -2.589 1.00 0.00 C ATOM 71 CG LEU A 8 7.763 2.953 -1.801 1.00 0.00 C ATOM 72 CD1 LEU A 8 7.349 1.490 -1.822 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.931 3.439 -0.369 1.00 0.00 C ATOM 0 H LEU A 8 7.063 4.130 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 8 9.876 3.264 -4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.768 2.383 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.492 4.114 -2.304 1.00 0.00 H new ATOM 0 HG LEU A 8 6.976 3.539 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.426 1.365 -1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.189 1.172 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.135 0.883 -1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.001 3.287 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.732 2.879 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.181 4.500 -0.372 1.00 0.00 H new ATOM 85 N THR A 9 9.057 0.706 -4.192 1.00 0.00 N ATOM 86 CA THR A 9 8.641 -0.644 -4.548 1.00 0.00 C ATOM 87 C THR A 9 8.096 -1.390 -3.335 1.00 0.00 C ATOM 88 O THR A 9 8.549 -1.179 -2.210 1.00 0.00 O ATOM 89 CB THR A 9 9.806 -1.451 -5.152 1.00 0.00 C ATOM 90 OG1 THR A 9 9.391 -2.799 -5.401 1.00 0.00 O ATOM 91 CG2 THR A 9 11.007 -1.448 -4.219 1.00 0.00 C ATOM 0 H THR A 9 9.923 0.752 -3.656 1.00 0.00 H new ATOM 0 HA THR A 9 7.853 -0.544 -5.294 1.00 0.00 H new ATOM 0 HB THR A 9 10.096 -0.982 -6.092 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.137 -3.305 -5.786 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.817 -2.024 -4.667 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.338 -0.422 -4.056 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.728 -1.895 -3.265 1.00 0.00 H new ATOM 99 N VAL A 10 7.123 -2.264 -3.571 1.00 0.00 N ATOM 100 CA VAL A 10 6.518 -3.043 -2.497 1.00 0.00 C ATOM 101 C VAL A 10 7.549 -3.408 -1.435 1.00 0.00 C ATOM 102 O VAL A 10 7.218 -3.564 -0.261 1.00 0.00 O ATOM 103 CB VAL A 10 5.872 -4.334 -3.035 1.00 0.00 C ATOM 104 CG1 VAL A 10 5.374 -5.200 -1.888 1.00 0.00 C ATOM 105 CG2 VAL A 10 4.740 -4.002 -3.995 1.00 0.00 C ATOM 0 H VAL A 10 6.737 -2.450 -4.496 1.00 0.00 H new ATOM 0 HA VAL A 10 5.745 -2.418 -2.049 1.00 0.00 H new ATOM 0 HB VAL A 10 6.628 -4.898 -3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.921 -6.107 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.211 -5.466 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.632 -4.648 -1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.295 -4.925 -4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.982 -3.417 -3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.131 -3.426 -4.833 1.00 0.00 H new ATOM 115 N GLY A 11 8.803 -3.543 -1.857 1.00 0.00 N ATOM 116 CA GLY A 11 9.864 -3.888 -0.929 1.00 0.00 C ATOM 117 C GLY A 11 10.216 -2.745 0.001 1.00 0.00 C ATOM 118 O GLY A 11 10.342 -2.936 1.211 1.00 0.00 O ATOM 0 H GLY A 11 9.103 -3.420 -2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.559 -4.752 -0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.751 -4.182 -1.490 1.00 0.00 H new ATOM 122 N ASP A 12 10.377 -1.553 -0.564 1.00 0.00 N ATOM 123 CA ASP A 12 10.718 -0.374 0.224 1.00 0.00 C ATOM 124 C ASP A 12 9.731 -0.183 1.371 1.00 0.00 C ATOM 125 O ASP A 12 10.099 -0.282 2.542 1.00 0.00 O ATOM 126 CB ASP A 12 10.733 0.872 -0.664 1.00 0.00 C ATOM 127 CG ASP A 12 11.818 1.853 -0.267 1.00 0.00 C ATOM 128 OD1 ASP A 12 11.757 2.379 0.864 1.00 0.00 O ATOM 129 OD2 ASP A 12 12.729 2.094 -1.086 1.00 0.00 O ATOM 0 H ASP A 12 10.277 -1.378 -1.564 1.00 0.00 H new ATOM 0 HA ASP A 12 11.712 -0.524 0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.880 0.573 -1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.763 1.366 -0.609 1.00 0.00 H new ATOM 134 N TRP A 13 8.478 0.092 1.028 1.00 0.00 N ATOM 135 CA TRP A 13 7.438 0.298 2.030 1.00 0.00 C ATOM 136 C TRP A 13 7.441 -0.830 3.056 1.00 0.00 C ATOM 137 O TRP A 13 7.607 -0.593 4.252 1.00 0.00 O ATOM 138 CB TRP A 13 6.067 0.392 1.360 1.00 0.00 C ATOM 139 CG TRP A 13 4.990 -0.335 2.107 1.00 0.00 C ATOM 140 CD1 TRP A 13 4.517 -0.043 3.354 1.00 0.00 C ATOM 141 CD2 TRP A 13 4.253 -1.477 1.654 1.00 0.00 C ATOM 142 NE1 TRP A 13 3.531 -0.934 3.704 1.00 0.00 N ATOM 143 CE2 TRP A 13 3.350 -1.822 2.678 1.00 0.00 C ATOM 144 CE3 TRP A 13 4.267 -2.238 0.482 1.00 0.00 C ATOM 145 CZ2 TRP A 13 2.472 -2.897 2.564 1.00 0.00 C ATOM 146 CZ3 TRP A 13 3.395 -3.305 0.371 1.00 0.00 C ATOM 147 CH2 TRP A 13 2.507 -3.626 1.406 1.00 0.00 C ATOM 0 H TRP A 13 8.157 0.178 0.064 1.00 0.00 H new ATOM 0 HA TRP A 13 7.646 1.235 2.547 1.00 0.00 H new ATOM 0 HB2 TRP A 13 5.788 1.441 1.265 1.00 0.00 H new ATOM 0 HB3 TRP A 13 6.135 -0.013 0.350 1.00 0.00 H new ATOM 0 HD1 TRP A 13 4.866 0.769 3.974 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.017 -0.934 4.585 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.946 -1.997 -0.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 1.788 -3.147 3.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.398 -3.902 -0.529 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.837 -4.465 1.288 1.00 0.00 H new ATOM 158 N LEU A 14 7.254 -2.056 2.581 1.00 0.00 N ATOM 159 CA LEU A 14 7.235 -3.222 3.459 1.00 0.00 C ATOM 160 C LEU A 14 8.447 -3.225 4.384 1.00 0.00 C ATOM 161 O LEU A 14 8.324 -3.472 5.584 1.00 0.00 O ATOM 162 CB LEU A 14 7.206 -4.508 2.631 1.00 0.00 C ATOM 163 CG LEU A 14 5.853 -4.844 2.004 1.00 0.00 C ATOM 164 CD1 LEU A 14 6.001 -5.956 0.977 1.00 0.00 C ATOM 165 CD2 LEU A 14 4.852 -5.239 3.079 1.00 0.00 C ATOM 0 H LEU A 14 7.113 -2.269 1.594 1.00 0.00 H new ATOM 0 HA LEU A 14 6.334 -3.172 4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.947 -4.427 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.511 -5.339 3.268 1.00 0.00 H new ATOM 0 HG LEU A 14 5.479 -3.956 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.027 -6.181 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.685 -5.636 0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.397 -6.848 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.894 -5.475 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.220 -6.113 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.723 -4.412 3.778 1.00 0.00 H new ATOM 177 N ASP A 15 9.617 -2.950 3.819 1.00 0.00 N ATOM 178 CA ASP A 15 10.853 -2.921 4.593 1.00 0.00 C ATOM 179 C ASP A 15 10.697 -2.044 5.831 1.00 0.00 C ATOM 180 O ASP A 15 11.162 -2.395 6.915 1.00 0.00 O ATOM 181 CB ASP A 15 12.007 -2.408 3.731 1.00 0.00 C ATOM 182 CG ASP A 15 13.363 -2.725 4.331 1.00 0.00 C ATOM 183 OD1 ASP A 15 13.800 -3.890 4.230 1.00 0.00 O ATOM 184 OD2 ASP A 15 13.988 -1.806 4.902 1.00 0.00 O ATOM 0 H ASP A 15 9.736 -2.744 2.827 1.00 0.00 H new ATOM 0 HA ASP A 15 11.076 -3.938 4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.940 -2.852 2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.912 -1.329 3.606 1.00 0.00 H new ATOM 189 N SER A 16 10.041 -0.900 5.662 1.00 0.00 N ATOM 190 CA SER A 16 9.829 0.030 6.764 1.00 0.00 C ATOM 191 C SER A 16 9.234 -0.687 7.973 1.00 0.00 C ATOM 192 O SER A 16 9.667 -0.480 9.106 1.00 0.00 O ATOM 193 CB SER A 16 8.906 1.170 6.328 1.00 0.00 C ATOM 194 OG SER A 16 8.591 2.017 7.419 1.00 0.00 O ATOM 0 H SER A 16 9.647 -0.595 4.772 1.00 0.00 H new ATOM 0 HA SER A 16 10.796 0.444 7.048 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.387 1.750 5.540 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.989 0.759 5.906 1.00 0.00 H new ATOM 0 HG SER A 16 8.002 2.738 7.114 1.00 0.00 H new ATOM 200 N ILE A 17 8.238 -1.530 7.721 1.00 0.00 N ATOM 201 CA ILE A 17 7.584 -2.279 8.787 1.00 0.00 C ATOM 202 C ILE A 17 8.220 -3.653 8.964 1.00 0.00 C ATOM 203 O ILE A 17 7.649 -4.534 9.607 1.00 0.00 O ATOM 204 CB ILE A 17 6.079 -2.453 8.510 1.00 0.00 C ATOM 205 CG1 ILE A 17 5.864 -3.257 7.226 1.00 0.00 C ATOM 206 CG2 ILE A 17 5.397 -1.097 8.413 1.00 0.00 C ATOM 207 CD1 ILE A 17 4.410 -3.553 6.934 1.00 0.00 C ATOM 0 H ILE A 17 7.867 -1.711 6.788 1.00 0.00 H new ATOM 0 HA ILE A 17 7.712 -1.702 9.703 1.00 0.00 H new ATOM 0 HB ILE A 17 5.634 -3.003 9.339 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.290 -2.707 6.387 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.410 -4.198 7.300 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.334 -1.238 8.217 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.525 -0.558 9.351 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.843 -0.523 7.601 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.334 -4.125 6.010 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.984 -4.130 7.755 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.862 -2.617 6.827 1.00 0.00 H new ATOM 219 N ARG A 18 9.406 -3.829 8.390 1.00 0.00 N ATOM 220 CA ARG A 18 10.120 -5.096 8.485 1.00 0.00 C ATOM 221 C ARG A 18 9.296 -6.231 7.883 1.00 0.00 C ATOM 222 O ARG A 18 9.311 -7.355 8.384 1.00 0.00 O ATOM 223 CB ARG A 18 10.452 -5.411 9.944 1.00 0.00 C ATOM 224 CG ARG A 18 11.295 -4.343 10.622 1.00 0.00 C ATOM 225 CD ARG A 18 11.684 -4.753 12.034 1.00 0.00 C ATOM 226 NE ARG A 18 12.386 -3.685 12.740 1.00 0.00 N ATOM 227 CZ ARG A 18 13.692 -3.467 12.631 1.00 0.00 C ATOM 228 NH1 ARG A 18 14.433 -4.239 11.849 1.00 0.00 N ATOM 229 NH2 ARG A 18 14.259 -2.475 13.305 1.00 0.00 N ATOM 0 H ARG A 18 9.892 -3.110 7.854 1.00 0.00 H new ATOM 0 HA ARG A 18 11.048 -5.004 7.920 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.523 -5.536 10.500 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.981 -6.363 9.990 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.195 -4.161 10.034 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.740 -3.406 10.654 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.789 -5.028 12.591 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.319 -5.638 11.993 1.00 0.00 H new ATOM 0 HE ARG A 18 11.844 -3.073 13.350 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.001 -5.003 11.329 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.435 -4.069 11.767 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.692 -1.879 13.908 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.262 -2.309 13.220 1.00 0.00 H new ATOM 243 N MET A 19 8.579 -5.928 6.806 1.00 0.00 N ATOM 244 CA MET A 19 7.750 -6.922 6.135 1.00 0.00 C ATOM 245 C MET A 19 8.215 -7.139 4.699 1.00 0.00 C ATOM 246 O MET A 19 7.650 -7.953 3.969 1.00 0.00 O ATOM 247 CB MET A 19 6.283 -6.488 6.149 1.00 0.00 C ATOM 248 CG MET A 19 5.647 -6.539 7.529 1.00 0.00 C ATOM 249 SD MET A 19 5.315 -8.224 8.078 1.00 0.00 S ATOM 250 CE MET A 19 6.443 -8.357 9.463 1.00 0.00 C ATOM 0 H MET A 19 8.555 -5.002 6.379 1.00 0.00 H new ATOM 0 HA MET A 19 7.848 -7.864 6.675 1.00 0.00 H new ATOM 0 HB2 MET A 19 6.210 -5.472 5.761 1.00 0.00 H new ATOM 0 HB3 MET A 19 5.717 -7.129 5.473 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.306 -6.050 8.247 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.715 -5.975 7.516 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.102 -9.212 9.315 1.00 0.00 H new ATOM 0 HE2 MET A 19 7.039 -7.448 9.535 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.875 -8.492 10.383 1.00 0.00 H new ATOM 260 N GLY A 20 9.248 -6.403 4.298 1.00 0.00 N ATOM 261 CA GLY A 20 9.770 -6.530 2.950 1.00 0.00 C ATOM 262 C GLY A 20 10.026 -7.972 2.560 1.00 0.00 C ATOM 263 O GLY A 20 10.041 -8.308 1.376 1.00 0.00 O ATOM 0 H GLY A 20 9.732 -5.722 4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.064 -6.087 2.247 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.698 -5.965 2.869 1.00 0.00 H new ATOM 267 N ARG A 21 10.229 -8.826 3.558 1.00 0.00 N ATOM 268 CA ARG A 21 10.489 -10.239 3.313 1.00 0.00 C ATOM 269 C ARG A 21 9.356 -10.869 2.508 1.00 0.00 C ATOM 270 O ARG A 21 9.568 -11.825 1.763 1.00 0.00 O ATOM 271 CB ARG A 21 10.663 -10.984 4.638 1.00 0.00 C ATOM 272 CG ARG A 21 9.353 -11.267 5.354 1.00 0.00 C ATOM 273 CD ARG A 21 9.576 -12.068 6.628 1.00 0.00 C ATOM 274 NE ARG A 21 10.477 -11.387 7.552 1.00 0.00 N ATOM 275 CZ ARG A 21 10.935 -11.936 8.672 1.00 0.00 C ATOM 276 NH1 ARG A 21 10.578 -13.169 9.003 1.00 0.00 N ATOM 277 NH2 ARG A 21 11.753 -11.252 9.462 1.00 0.00 N ATOM 0 H ARG A 21 10.218 -8.564 4.544 1.00 0.00 H new ATOM 0 HA ARG A 21 11.410 -10.319 2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.176 -11.927 4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.306 -10.397 5.294 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.859 -10.326 5.596 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.685 -11.816 4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.618 -12.243 7.118 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.987 -13.045 6.374 1.00 0.00 H new ATOM 0 HE ARG A 21 10.771 -10.437 7.326 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.951 -13.698 8.397 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.931 -13.589 9.863 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.031 -10.304 9.210 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.104 -11.675 10.321 1.00 0.00 H new ATOM 291 N TYR A 22 8.154 -10.326 2.664 1.00 0.00 N ATOM 292 CA TYR A 22 6.987 -10.836 1.954 1.00 0.00 C ATOM 293 C TYR A 22 6.811 -10.126 0.615 1.00 0.00 C ATOM 294 O TYR A 22 5.989 -10.528 -0.209 1.00 0.00 O ATOM 295 CB TYR A 22 5.729 -10.660 2.806 1.00 0.00 C ATOM 296 CG TYR A 22 5.600 -11.680 3.915 1.00 0.00 C ATOM 297 CD1 TYR A 22 5.495 -13.036 3.628 1.00 0.00 C ATOM 298 CD2 TYR A 22 5.584 -11.289 5.248 1.00 0.00 C ATOM 299 CE1 TYR A 22 5.377 -13.972 4.637 1.00 0.00 C ATOM 300 CE2 TYR A 22 5.468 -12.218 6.263 1.00 0.00 C ATOM 301 CZ TYR A 22 5.364 -13.558 5.953 1.00 0.00 C ATOM 302 OH TYR A 22 5.247 -14.487 6.962 1.00 0.00 O ATOM 0 H TYR A 22 7.962 -9.533 3.276 1.00 0.00 H new ATOM 0 HA TYR A 22 7.144 -11.898 1.764 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.732 -9.661 3.242 1.00 0.00 H new ATOM 0 HB3 TYR A 22 4.852 -10.724 2.162 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.506 -13.363 2.599 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.664 -10.241 5.495 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.295 -15.022 4.397 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.459 -11.897 7.294 1.00 0.00 H new ATOM 0 HH TYR A 22 5.063 -14.029 7.809 1.00 0.00 H new ATOM 312 N ARG A 23 7.590 -9.070 0.406 1.00 0.00 N ATOM 313 CA ARG A 23 7.521 -8.304 -0.833 1.00 0.00 C ATOM 314 C ARG A 23 7.418 -9.231 -2.041 1.00 0.00 C ATOM 315 O ARG A 23 6.567 -9.042 -2.910 1.00 0.00 O ATOM 316 CB ARG A 23 8.751 -7.404 -0.970 1.00 0.00 C ATOM 317 CG ARG A 23 9.986 -8.133 -1.472 1.00 0.00 C ATOM 318 CD ARG A 23 11.204 -7.223 -1.482 1.00 0.00 C ATOM 319 NE ARG A 23 11.178 -6.286 -2.601 1.00 0.00 N ATOM 320 CZ ARG A 23 12.204 -5.509 -2.933 1.00 0.00 C ATOM 321 NH1 ARG A 23 13.330 -5.558 -2.235 1.00 0.00 N ATOM 322 NH2 ARG A 23 12.103 -4.682 -3.966 1.00 0.00 N ATOM 0 H ARG A 23 8.276 -8.725 1.078 1.00 0.00 H new ATOM 0 HA ARG A 23 6.626 -7.682 -0.797 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.519 -6.587 -1.653 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.973 -6.956 -0.001 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.182 -8.998 -0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.804 -8.510 -2.478 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.249 -6.668 -0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.109 -7.829 -1.537 1.00 0.00 H new ATOM 0 HE ARG A 23 10.326 -6.224 -3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.411 -6.193 -1.441 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.116 -4.961 -2.492 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.238 -4.643 -4.505 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.890 -4.086 -4.221 1.00 0.00 H new ATOM 336 N ASP A 24 8.292 -10.230 -2.088 1.00 0.00 N ATOM 337 CA ASP A 24 8.299 -11.187 -3.189 1.00 0.00 C ATOM 338 C ASP A 24 6.907 -11.768 -3.414 1.00 0.00 C ATOM 339 O ASP A 24 6.513 -12.042 -4.548 1.00 0.00 O ATOM 340 CB ASP A 24 9.296 -12.312 -2.908 1.00 0.00 C ATOM 341 CG ASP A 24 9.918 -12.865 -4.175 1.00 0.00 C ATOM 342 OD1 ASP A 24 10.920 -12.286 -4.646 1.00 0.00 O ATOM 343 OD2 ASP A 24 9.404 -13.876 -4.696 1.00 0.00 O ATOM 0 H ASP A 24 9.004 -10.399 -1.378 1.00 0.00 H new ATOM 0 HA ASP A 24 8.603 -10.660 -4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.084 -11.940 -2.253 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.790 -13.117 -2.374 1.00 0.00 H new ATOM 348 N HIS A 25 6.167 -11.955 -2.326 1.00 0.00 N ATOM 349 CA HIS A 25 4.818 -12.505 -2.404 1.00 0.00 C ATOM 350 C HIS A 25 3.903 -11.588 -3.210 1.00 0.00 C ATOM 351 O HIS A 25 3.317 -12.002 -4.211 1.00 0.00 O ATOM 352 CB HIS A 25 4.245 -12.709 -1.001 1.00 0.00 C ATOM 353 CG HIS A 25 5.084 -13.599 -0.136 1.00 0.00 C ATOM 354 ND1 HIS A 25 4.603 -14.752 0.447 1.00 0.00 N ATOM 355 CD2 HIS A 25 6.380 -13.500 0.243 1.00 0.00 C ATOM 356 CE1 HIS A 25 5.566 -15.323 1.149 1.00 0.00 C ATOM 357 NE2 HIS A 25 6.655 -14.583 1.040 1.00 0.00 N ATOM 0 H HIS A 25 6.478 -11.734 -1.380 1.00 0.00 H new ATOM 0 HA HIS A 25 4.875 -13.469 -2.909 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.139 -11.739 -0.516 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.245 -13.134 -1.084 1.00 0.00 H new ATOM 0 HD1 HIS A 25 3.652 -15.109 0.351 1.00 0.00 H new ATOM 0 HD2 HIS A 25 7.069 -12.715 -0.031 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.478 -16.238 1.715 1.00 0.00 H new ATOM 366 N PHE A 26 3.785 -10.340 -2.768 1.00 0.00 N ATOM 367 CA PHE A 26 2.941 -9.364 -3.448 1.00 0.00 C ATOM 368 C PHE A 26 3.157 -9.416 -4.958 1.00 0.00 C ATOM 369 O PHE A 26 2.201 -9.447 -5.732 1.00 0.00 O ATOM 370 CB PHE A 26 3.233 -7.955 -2.928 1.00 0.00 C ATOM 371 CG PHE A 26 2.471 -7.607 -1.681 1.00 0.00 C ATOM 372 CD1 PHE A 26 2.946 -7.983 -0.435 1.00 0.00 C ATOM 373 CD2 PHE A 26 1.279 -6.904 -1.755 1.00 0.00 C ATOM 374 CE1 PHE A 26 2.248 -7.664 0.715 1.00 0.00 C ATOM 375 CE2 PHE A 26 0.577 -6.582 -0.609 1.00 0.00 C ATOM 376 CZ PHE A 26 1.061 -6.964 0.627 1.00 0.00 C ATOM 0 H PHE A 26 4.263 -9.981 -1.942 1.00 0.00 H new ATOM 0 HA PHE A 26 1.901 -9.613 -3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.301 -7.864 -2.729 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.991 -7.231 -3.706 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.873 -8.532 -0.361 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.894 -6.605 -2.719 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.630 -7.962 1.680 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.350 -6.032 -0.680 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.512 -6.716 1.523 1.00 0.00 H new ATOM 386 N ALA A 27 4.421 -9.425 -5.368 1.00 0.00 N ATOM 387 CA ALA A 27 4.764 -9.474 -6.784 1.00 0.00 C ATOM 388 C ALA A 27 4.153 -10.701 -7.454 1.00 0.00 C ATOM 389 O ALA A 27 3.758 -10.651 -8.619 1.00 0.00 O ATOM 390 CB ALA A 27 6.275 -9.471 -6.962 1.00 0.00 C ATOM 0 H ALA A 27 5.224 -9.399 -4.740 1.00 0.00 H new ATOM 0 HA ALA A 27 4.351 -8.586 -7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.516 -9.508 -8.024 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.691 -8.562 -6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.702 -10.341 -6.463 1.00 0.00 H new ATOM 396 N ALA A 28 4.080 -11.800 -6.712 1.00 0.00 N ATOM 397 CA ALA A 28 3.517 -13.039 -7.234 1.00 0.00 C ATOM 398 C ALA A 28 2.009 -12.919 -7.424 1.00 0.00 C ATOM 399 O ALA A 28 1.443 -13.494 -8.353 1.00 0.00 O ATOM 400 CB ALA A 28 3.843 -14.200 -6.306 1.00 0.00 C ATOM 0 H ALA A 28 4.404 -11.858 -5.747 1.00 0.00 H new ATOM 0 HA ALA A 28 3.966 -13.231 -8.209 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.416 -15.119 -6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.925 -14.308 -6.224 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.422 -14.006 -5.319 1.00 0.00 H new ATOM 406 N GLY A 29 1.363 -12.167 -6.538 1.00 0.00 N ATOM 407 CA GLY A 29 -0.075 -11.986 -6.626 1.00 0.00 C ATOM 408 C GLY A 29 -0.463 -10.910 -7.620 1.00 0.00 C ATOM 409 O GLY A 29 -1.633 -10.544 -7.723 1.00 0.00 O ATOM 0 H GLY A 29 1.809 -11.680 -5.761 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.540 -12.928 -6.915 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.466 -11.726 -5.642 1.00 0.00 H new ATOM 413 N GLY A 30 0.521 -10.400 -8.353 1.00 0.00 N ATOM 414 CA GLY A 30 0.256 -9.363 -9.333 1.00 0.00 C ATOM 415 C GLY A 30 0.436 -7.969 -8.764 1.00 0.00 C ATOM 416 O GLY A 30 -0.055 -6.992 -9.331 1.00 0.00 O ATOM 0 H GLY A 30 1.498 -10.686 -8.286 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.923 -9.493 -10.185 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.762 -9.471 -9.706 1.00 0.00 H new ATOM 420 N TYR A 31 1.139 -7.876 -7.641 1.00 0.00 N ATOM 421 CA TYR A 31 1.378 -6.592 -6.993 1.00 0.00 C ATOM 422 C TYR A 31 2.873 -6.329 -6.841 1.00 0.00 C ATOM 423 O TYR A 31 3.543 -6.949 -6.016 1.00 0.00 O ATOM 424 CB TYR A 31 0.700 -6.554 -5.623 1.00 0.00 C ATOM 425 CG TYR A 31 -0.795 -6.770 -5.681 1.00 0.00 C ATOM 426 CD1 TYR A 31 -1.335 -8.049 -5.615 1.00 0.00 C ATOM 427 CD2 TYR A 31 -1.668 -5.696 -5.800 1.00 0.00 C ATOM 428 CE1 TYR A 31 -2.700 -8.251 -5.669 1.00 0.00 C ATOM 429 CE2 TYR A 31 -3.035 -5.889 -5.853 1.00 0.00 C ATOM 430 CZ TYR A 31 -3.546 -7.168 -5.787 1.00 0.00 C ATOM 431 OH TYR A 31 -4.907 -7.365 -5.839 1.00 0.00 O ATOM 0 H TYR A 31 1.553 -8.675 -7.160 1.00 0.00 H new ATOM 0 HA TYR A 31 0.952 -5.811 -7.623 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.145 -7.318 -4.986 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.902 -5.591 -5.154 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.676 -8.899 -5.520 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.271 -4.693 -5.852 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.103 -9.252 -5.619 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.700 -5.043 -5.946 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.265 -7.421 -4.928 1.00 0.00 H new ATOM 441 N SER A 32 3.389 -5.403 -7.644 1.00 0.00 N ATOM 442 CA SER A 32 4.806 -5.059 -7.602 1.00 0.00 C ATOM 443 C SER A 32 4.996 -3.586 -7.252 1.00 0.00 C ATOM 444 O SER A 32 6.104 -3.149 -6.941 1.00 0.00 O ATOM 445 CB SER A 32 5.467 -5.365 -8.947 1.00 0.00 C ATOM 446 OG SER A 32 6.834 -4.994 -8.939 1.00 0.00 O ATOM 0 H SER A 32 2.848 -4.878 -8.331 1.00 0.00 H new ATOM 0 HA SER A 32 5.279 -5.663 -6.828 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.377 -6.429 -9.166 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.946 -4.830 -9.742 1.00 0.00 H new ATOM 0 HG SER A 32 6.994 -4.352 -8.216 1.00 0.00 H new ATOM 452 N SER A 33 3.907 -2.826 -7.305 1.00 0.00 N ATOM 453 CA SER A 33 3.954 -1.401 -6.998 1.00 0.00 C ATOM 454 C SER A 33 3.107 -1.082 -5.770 1.00 0.00 C ATOM 455 O SER A 33 2.327 -1.913 -5.307 1.00 0.00 O ATOM 456 CB SER A 33 3.465 -0.583 -8.195 1.00 0.00 C ATOM 457 OG SER A 33 4.017 -1.071 -9.406 1.00 0.00 O ATOM 0 H SER A 33 2.982 -3.173 -7.558 1.00 0.00 H new ATOM 0 HA SER A 33 4.989 -1.135 -6.784 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.377 -0.622 -8.246 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.741 0.463 -8.062 1.00 0.00 H new ATOM 0 HG SER A 33 3.688 -0.533 -10.156 1.00 0.00 H new ATOM 463 N LEU A 34 3.268 0.129 -5.247 1.00 0.00 N ATOM 464 CA LEU A 34 2.519 0.560 -4.071 1.00 0.00 C ATOM 465 C LEU A 34 1.103 0.980 -4.452 1.00 0.00 C ATOM 466 O LEU A 34 0.139 0.649 -3.763 1.00 0.00 O ATOM 467 CB LEU A 34 3.240 1.719 -3.379 1.00 0.00 C ATOM 468 CG LEU A 34 4.273 1.305 -2.331 1.00 0.00 C ATOM 469 CD1 LEU A 34 3.655 1.306 -0.942 1.00 0.00 C ATOM 470 CD2 LEU A 34 4.846 -0.065 -2.661 1.00 0.00 C ATOM 0 H LEU A 34 3.910 0.829 -5.618 1.00 0.00 H new ATOM 0 HA LEU A 34 2.455 -0.282 -3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.737 2.323 -4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.496 2.357 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 34 5.087 2.030 -2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.406 1.009 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.293 2.307 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.822 0.603 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.580 -0.344 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.042 -0.801 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.327 -0.032 -3.639 1.00 0.00 H new ATOM 482 N GLY A 35 0.986 1.712 -5.556 1.00 0.00 N ATOM 483 CA GLY A 35 -0.315 2.167 -6.010 1.00 0.00 C ATOM 484 C GLY A 35 -1.343 1.053 -6.033 1.00 0.00 C ATOM 485 O GLY A 35 -2.483 1.243 -5.611 1.00 0.00 O ATOM 0 H GLY A 35 1.769 1.998 -6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.665 2.967 -5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.220 2.590 -7.010 1.00 0.00 H new ATOM 489 N MET A 36 -0.939 -0.113 -6.528 1.00 0.00 N ATOM 490 CA MET A 36 -1.834 -1.261 -6.604 1.00 0.00 C ATOM 491 C MET A 36 -1.953 -1.949 -5.248 1.00 0.00 C ATOM 492 O MET A 36 -2.958 -2.597 -4.955 1.00 0.00 O ATOM 493 CB MET A 36 -1.333 -2.257 -7.652 1.00 0.00 C ATOM 494 CG MET A 36 0.090 -2.732 -7.407 1.00 0.00 C ATOM 495 SD MET A 36 0.805 -3.554 -8.844 1.00 0.00 S ATOM 496 CE MET A 36 0.662 -2.264 -10.078 1.00 0.00 C ATOM 0 H MET A 36 0.002 -0.287 -6.882 1.00 0.00 H new ATOM 0 HA MET A 36 -2.821 -0.902 -6.897 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.998 -3.121 -7.668 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.388 -1.794 -8.637 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.712 -1.879 -7.134 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.099 -3.417 -6.559 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.528 -2.296 -10.740 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.246 -2.417 -10.661 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.618 -1.293 -9.585 1.00 0.00 H new ATOM 506 N VAL A 37 -0.920 -1.805 -4.424 1.00 0.00 N ATOM 507 CA VAL A 37 -0.909 -2.412 -3.098 1.00 0.00 C ATOM 508 C VAL A 37 -1.889 -1.710 -2.164 1.00 0.00 C ATOM 509 O VAL A 37 -2.517 -2.344 -1.317 1.00 0.00 O ATOM 510 CB VAL A 37 0.498 -2.369 -2.473 1.00 0.00 C ATOM 511 CG1 VAL A 37 0.411 -2.442 -0.956 1.00 0.00 C ATOM 512 CG2 VAL A 37 1.358 -3.499 -3.020 1.00 0.00 C ATOM 0 H VAL A 37 -0.080 -1.273 -4.651 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.212 -3.452 -3.223 1.00 0.00 H new ATOM 0 HB VAL A 37 0.967 -1.422 -2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.415 -2.410 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.167 -1.596 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.077 -3.372 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.349 -3.454 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.894 -4.457 -2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.448 -3.397 -4.102 1.00 0.00 H new ATOM 522 N LEU A 38 -2.016 -0.398 -2.327 1.00 0.00 N ATOM 523 CA LEU A 38 -2.920 0.392 -1.498 1.00 0.00 C ATOM 524 C LEU A 38 -4.358 -0.098 -1.644 1.00 0.00 C ATOM 525 O LEU A 38 -5.199 0.151 -0.781 1.00 0.00 O ATOM 526 CB LEU A 38 -2.832 1.872 -1.878 1.00 0.00 C ATOM 527 CG LEU A 38 -1.784 2.675 -1.108 1.00 0.00 C ATOM 528 CD1 LEU A 38 -0.532 1.842 -0.881 1.00 0.00 C ATOM 529 CD2 LEU A 38 -1.444 3.958 -1.852 1.00 0.00 C ATOM 0 H LEU A 38 -1.505 0.141 -3.025 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.618 0.273 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.614 1.946 -2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.808 2.331 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.200 2.940 -0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.202 2.431 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.787 0.952 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.113 1.546 -1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.696 4.517 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.048 3.713 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.343 4.564 -1.962 1.00 0.00 H new ATOM 541 N ARG A 39 -4.631 -0.794 -2.742 1.00 0.00 N ATOM 542 CA ARG A 39 -5.966 -1.318 -3.003 1.00 0.00 C ATOM 543 C ARG A 39 -6.130 -2.712 -2.404 1.00 0.00 C ATOM 544 O ARG A 39 -7.248 -3.195 -2.229 1.00 0.00 O ATOM 545 CB ARG A 39 -6.235 -1.363 -4.508 1.00 0.00 C ATOM 546 CG ARG A 39 -5.641 -0.188 -5.268 1.00 0.00 C ATOM 547 CD ARG A 39 -6.626 0.966 -5.368 1.00 0.00 C ATOM 548 NE ARG A 39 -6.747 1.693 -4.108 1.00 0.00 N ATOM 549 CZ ARG A 39 -7.724 2.555 -3.847 1.00 0.00 C ATOM 550 NH1 ARG A 39 -8.660 2.795 -4.755 1.00 0.00 N ATOM 551 NH2 ARG A 39 -7.766 3.178 -2.676 1.00 0.00 N ATOM 0 H ARG A 39 -3.945 -1.008 -3.466 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.689 -0.652 -2.532 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.829 -2.290 -4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.312 -1.386 -4.676 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.733 0.149 -4.767 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.352 -0.509 -6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.303 1.651 -6.152 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.604 0.584 -5.661 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.043 1.530 -3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.631 2.318 -5.656 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.409 3.457 -4.553 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.048 2.995 -1.975 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.516 3.839 -2.477 1.00 0.00 H new ATOM 565 N MET A 40 -5.008 -3.352 -2.093 1.00 0.00 N ATOM 566 CA MET A 40 -5.028 -4.690 -1.513 1.00 0.00 C ATOM 567 C MET A 40 -5.857 -4.716 -0.233 1.00 0.00 C ATOM 568 O MET A 40 -6.347 -3.683 0.221 1.00 0.00 O ATOM 569 CB MET A 40 -3.603 -5.164 -1.221 1.00 0.00 C ATOM 570 CG MET A 40 -2.811 -5.515 -2.471 1.00 0.00 C ATOM 571 SD MET A 40 -2.921 -7.264 -2.894 1.00 0.00 S ATOM 572 CE MET A 40 -2.525 -8.019 -1.319 1.00 0.00 C ATOM 0 H MET A 40 -4.074 -2.966 -2.233 1.00 0.00 H new ATOM 0 HA MET A 40 -5.487 -5.365 -2.236 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.074 -4.384 -0.673 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.646 -6.038 -0.570 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.177 -4.919 -3.307 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.765 -5.246 -2.321 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.256 -9.064 -1.474 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.687 -7.492 -0.864 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.391 -7.961 -0.660 1.00 0.00 H new ATOM 582 N ASN A 41 -6.010 -5.903 0.344 1.00 0.00 N ATOM 583 CA ASN A 41 -6.780 -6.063 1.572 1.00 0.00 C ATOM 584 C ASN A 41 -6.601 -7.464 2.149 1.00 0.00 C ATOM 585 O ASN A 41 -6.223 -8.395 1.438 1.00 0.00 O ATOM 586 CB ASN A 41 -8.263 -5.795 1.306 1.00 0.00 C ATOM 587 CG ASN A 41 -8.690 -6.230 -0.082 1.00 0.00 C ATOM 588 OD1 ASN A 41 -8.474 -5.517 -1.062 1.00 0.00 O ATOM 589 ND2 ASN A 41 -9.300 -7.406 -0.172 1.00 0.00 N ATOM 0 H ASN A 41 -5.611 -6.769 -0.019 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.411 -5.340 2.300 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.863 -6.320 2.049 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.465 -4.731 1.428 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.610 -7.751 -1.080 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.458 -7.964 0.667 1.00 0.00 H new ATOM 596 N ALA A 42 -6.876 -7.606 3.441 1.00 0.00 N ATOM 597 CA ALA A 42 -6.748 -8.893 4.113 1.00 0.00 C ATOM 598 C ALA A 42 -7.065 -10.042 3.162 1.00 0.00 C ATOM 599 O ALA A 42 -6.311 -11.010 3.071 1.00 0.00 O ATOM 600 CB ALA A 42 -7.658 -8.946 5.331 1.00 0.00 C ATOM 0 H ALA A 42 -7.189 -6.845 4.044 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.714 -9.002 4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.552 -9.913 5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.382 -8.153 6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.693 -8.810 5.018 1.00 0.00 H new ATOM 606 N GLN A 43 -8.186 -9.928 2.457 1.00 0.00 N ATOM 607 CA GLN A 43 -8.604 -10.960 1.515 1.00 0.00 C ATOM 608 C GLN A 43 -7.514 -11.225 0.481 1.00 0.00 C ATOM 609 O GLN A 43 -7.147 -12.374 0.233 1.00 0.00 O ATOM 610 CB GLN A 43 -9.899 -10.546 0.814 1.00 0.00 C ATOM 611 CG GLN A 43 -10.733 -11.722 0.333 1.00 0.00 C ATOM 612 CD GLN A 43 -11.327 -12.522 1.475 1.00 0.00 C ATOM 613 OE1 GLN A 43 -10.606 -13.152 2.249 1.00 0.00 O ATOM 614 NE2 GLN A 43 -12.650 -12.500 1.588 1.00 0.00 N ATOM 0 H GLN A 43 -8.821 -9.132 2.520 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.780 -11.879 2.075 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.496 -9.944 1.498 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.654 -9.912 -0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.537 -11.355 -0.305 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.113 -12.376 -0.280 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.210 -11.964 0.924 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.106 -13.019 2.338 1.00 0.00 H new ATOM 623 N ASP A 44 -7.002 -10.156 -0.119 1.00 0.00 N ATOM 624 CA ASP A 44 -5.954 -10.274 -1.126 1.00 0.00 C ATOM 625 C ASP A 44 -4.618 -10.631 -0.481 1.00 0.00 C ATOM 626 O ASP A 44 -3.996 -11.633 -0.832 1.00 0.00 O ATOM 627 CB ASP A 44 -5.823 -8.967 -1.911 1.00 0.00 C ATOM 628 CG ASP A 44 -6.831 -8.865 -3.038 1.00 0.00 C ATOM 629 OD1 ASP A 44 -7.350 -9.917 -3.467 1.00 0.00 O ATOM 630 OD2 ASP A 44 -7.102 -7.733 -3.491 1.00 0.00 O ATOM 0 H ASP A 44 -7.296 -9.198 0.074 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.231 -11.075 -1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.955 -8.124 -1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.816 -8.892 -2.321 1.00 0.00 H new ATOM 635 N VAL A 45 -4.183 -9.803 0.463 1.00 0.00 N ATOM 636 CA VAL A 45 -2.921 -10.031 1.157 1.00 0.00 C ATOM 637 C VAL A 45 -2.759 -11.499 1.535 1.00 0.00 C ATOM 638 O VAL A 45 -1.749 -12.125 1.213 1.00 0.00 O ATOM 639 CB VAL A 45 -2.818 -9.170 2.431 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.607 -9.581 3.256 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.753 -7.694 2.072 1.00 0.00 C ATOM 0 H VAL A 45 -4.686 -8.968 0.765 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.125 -9.746 0.469 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.711 -9.334 3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.550 -8.963 4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.701 -10.628 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.701 -9.447 2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.681 -7.101 2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.878 -7.509 1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.654 -7.412 1.526 1.00 0.00 H new ATOM 651 N ARG A 46 -3.761 -12.043 2.219 1.00 0.00 N ATOM 652 CA ARG A 46 -3.729 -13.438 2.641 1.00 0.00 C ATOM 653 C ARG A 46 -3.234 -14.336 1.511 1.00 0.00 C ATOM 654 O ARG A 46 -2.386 -15.203 1.721 1.00 0.00 O ATOM 655 CB ARG A 46 -5.120 -13.888 3.092 1.00 0.00 C ATOM 656 CG ARG A 46 -5.094 -14.992 4.136 1.00 0.00 C ATOM 657 CD ARG A 46 -4.651 -16.317 3.534 1.00 0.00 C ATOM 658 NE ARG A 46 -5.478 -16.704 2.394 1.00 0.00 N ATOM 659 CZ ARG A 46 -6.736 -17.116 2.505 1.00 0.00 C ATOM 660 NH1 ARG A 46 -7.309 -17.194 3.698 1.00 0.00 N ATOM 661 NH2 ARG A 46 -7.424 -17.450 1.420 1.00 0.00 N ATOM 0 H ARG A 46 -4.604 -11.539 2.492 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.037 -13.523 3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.657 -13.030 3.496 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.680 -14.234 2.223 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.418 -14.714 4.944 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.086 -15.104 4.574 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.611 -16.242 3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.697 -17.095 4.296 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.067 -16.655 1.462 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.784 -16.937 4.534 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.275 -17.511 3.780 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.987 -17.390 0.500 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.390 -17.766 1.506 1.00 0.00 H new ATOM 675 N ALA A 47 -3.770 -14.123 0.314 1.00 0.00 N ATOM 676 CA ALA A 47 -3.382 -14.913 -0.848 1.00 0.00 C ATOM 677 C ALA A 47 -1.871 -14.878 -1.055 1.00 0.00 C ATOM 678 O ALA A 47 -1.263 -15.882 -1.427 1.00 0.00 O ATOM 679 CB ALA A 47 -4.098 -14.408 -2.092 1.00 0.00 C ATOM 0 H ALA A 47 -4.474 -13.410 0.123 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.675 -15.947 -0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.799 -15.007 -2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.176 -14.490 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.833 -13.365 -2.266 1.00 0.00 H new ATOM 685 N LEU A 48 -1.271 -13.718 -0.812 1.00 0.00 N ATOM 686 CA LEU A 48 0.169 -13.553 -0.972 1.00 0.00 C ATOM 687 C LEU A 48 0.931 -14.530 -0.083 1.00 0.00 C ATOM 688 O LEU A 48 2.065 -14.902 -0.380 1.00 0.00 O ATOM 689 CB LEU A 48 0.578 -12.116 -0.641 1.00 0.00 C ATOM 690 CG LEU A 48 -0.092 -11.039 -1.494 1.00 0.00 C ATOM 691 CD1 LEU A 48 0.539 -9.681 -1.233 1.00 0.00 C ATOM 692 CD2 LEU A 48 -0.001 -11.396 -2.970 1.00 0.00 C ATOM 0 H LEU A 48 -1.760 -12.878 -0.503 1.00 0.00 H new ATOM 0 HA LEU A 48 0.421 -13.765 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.350 -11.922 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.658 -12.027 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.145 -10.986 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.049 -8.927 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.422 -9.422 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.600 -9.719 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.483 -10.619 -3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.046 -11.477 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.501 -12.348 -3.145 1.00 0.00 H new ATOM 704 N GLY A 49 0.298 -14.941 1.012 1.00 0.00 N ATOM 705 CA GLY A 49 0.931 -15.871 1.929 1.00 0.00 C ATOM 706 C GLY A 49 1.015 -15.326 3.341 1.00 0.00 C ATOM 707 O GLY A 49 1.049 -16.088 4.307 1.00 0.00 O ATOM 0 H GLY A 49 -0.641 -14.647 1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.372 -16.807 1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.934 -16.102 1.572 1.00 0.00 H new ATOM 711 N ILE A 50 1.049 -14.003 3.462 1.00 0.00 N ATOM 712 CA ILE A 50 1.131 -13.357 4.766 1.00 0.00 C ATOM 713 C ILE A 50 -0.174 -13.515 5.540 1.00 0.00 C ATOM 714 O ILE A 50 -1.147 -12.803 5.290 1.00 0.00 O ATOM 715 CB ILE A 50 1.457 -11.858 4.632 1.00 0.00 C ATOM 716 CG1 ILE A 50 2.564 -11.645 3.597 1.00 0.00 C ATOM 717 CG2 ILE A 50 1.867 -11.283 5.980 1.00 0.00 C ATOM 718 CD1 ILE A 50 2.044 -11.433 2.193 1.00 0.00 C ATOM 0 H ILE A 50 1.021 -13.358 2.673 1.00 0.00 H new ATOM 0 HA ILE A 50 1.937 -13.848 5.312 1.00 0.00 H new ATOM 0 HB ILE A 50 0.563 -11.335 4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.162 -10.782 3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.228 -12.510 3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.094 -10.223 5.869 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.051 -11.407 6.692 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.750 -11.807 6.346 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.883 -11.289 1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.470 -12.306 1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.403 -10.551 2.171 1.00 0.00 H new ATOM 730 N THR A 51 -0.187 -14.452 6.483 1.00 0.00 N ATOM 731 CA THR A 51 -1.371 -14.703 7.294 1.00 0.00 C ATOM 732 C THR A 51 -1.086 -14.463 8.772 1.00 0.00 C ATOM 733 O THR A 51 -1.986 -14.131 9.543 1.00 0.00 O ATOM 734 CB THR A 51 -1.883 -16.144 7.109 1.00 0.00 C ATOM 735 OG1 THR A 51 -0.950 -17.072 7.674 1.00 0.00 O ATOM 736 CG2 THR A 51 -2.092 -16.459 5.636 1.00 0.00 C ATOM 0 H THR A 51 0.610 -15.050 6.704 1.00 0.00 H new ATOM 0 HA THR A 51 -2.139 -14.006 6.957 1.00 0.00 H new ATOM 0 HB THR A 51 -2.840 -16.235 7.622 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.284 -17.986 7.554 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.454 -17.482 5.530 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.825 -15.770 5.217 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.147 -16.351 5.103 1.00 0.00 H new ATOM 744 N LEU A 52 0.173 -14.633 9.162 1.00 0.00 N ATOM 745 CA LEU A 52 0.578 -14.434 10.549 1.00 0.00 C ATOM 746 C LEU A 52 0.088 -13.087 11.071 1.00 0.00 C ATOM 747 O LEU A 52 0.493 -12.034 10.578 1.00 0.00 O ATOM 748 CB LEU A 52 2.100 -14.521 10.676 1.00 0.00 C ATOM 749 CG LEU A 52 2.646 -15.917 10.973 1.00 0.00 C ATOM 750 CD1 LEU A 52 4.028 -16.092 10.361 1.00 0.00 C ATOM 751 CD2 LEU A 52 2.691 -16.163 12.473 1.00 0.00 C ATOM 0 H LEU A 52 0.931 -14.908 8.537 1.00 0.00 H new ATOM 0 HA LEU A 52 0.125 -15.223 11.150 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.548 -14.162 9.749 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.422 -13.845 11.468 1.00 0.00 H new ATOM 0 HG LEU A 52 1.977 -16.651 10.524 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.400 -17.092 10.583 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.967 -15.959 9.281 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.708 -15.350 10.780 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.082 -17.162 12.666 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.338 -15.423 12.944 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.685 -16.081 12.885 1.00 0.00 H new ATOM 763 N MET A 53 -0.786 -13.128 12.071 1.00 0.00 N ATOM 764 CA MET A 53 -1.330 -11.911 12.661 1.00 0.00 C ATOM 765 C MET A 53 -0.232 -10.875 12.880 1.00 0.00 C ATOM 766 O MET A 53 -0.383 -9.710 12.515 1.00 0.00 O ATOM 767 CB MET A 53 -2.022 -12.227 13.988 1.00 0.00 C ATOM 768 CG MET A 53 -3.265 -13.089 13.835 1.00 0.00 C ATOM 769 SD MET A 53 -4.613 -12.225 13.007 1.00 0.00 S ATOM 770 CE MET A 53 -4.159 -12.458 11.290 1.00 0.00 C ATOM 0 H MET A 53 -1.133 -13.991 12.490 1.00 0.00 H new ATOM 0 HA MET A 53 -2.062 -11.497 11.968 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.316 -12.735 14.645 1.00 0.00 H new ATOM 0 HB3 MET A 53 -2.296 -11.292 14.477 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.013 -13.986 13.270 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.599 -13.416 14.820 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.875 -11.500 10.856 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.318 -13.149 11.226 1.00 0.00 H new ATOM 0 HE3 MET A 53 -5.007 -12.868 10.742 1.00 0.00 H new ATOM 780 N GLY A 54 0.873 -11.308 13.480 1.00 0.00 N ATOM 781 CA GLY A 54 1.979 -10.405 13.738 1.00 0.00 C ATOM 782 C GLY A 54 2.426 -9.665 12.493 1.00 0.00 C ATOM 783 O GLY A 54 2.905 -8.533 12.572 1.00 0.00 O ATOM 0 H GLY A 54 1.022 -12.268 13.792 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.685 -9.683 14.500 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.819 -10.970 14.142 1.00 0.00 H new ATOM 787 N HIS A 55 2.271 -10.305 11.338 1.00 0.00 N ATOM 788 CA HIS A 55 2.663 -9.700 10.070 1.00 0.00 C ATOM 789 C HIS A 55 1.463 -9.058 9.380 1.00 0.00 C ATOM 790 O HIS A 55 1.429 -7.845 9.178 1.00 0.00 O ATOM 791 CB HIS A 55 3.292 -10.749 9.153 1.00 0.00 C ATOM 792 CG HIS A 55 4.417 -11.505 9.791 1.00 0.00 C ATOM 793 ND1 HIS A 55 4.845 -12.737 9.343 1.00 0.00 N ATOM 794 CD2 HIS A 55 5.204 -11.197 10.848 1.00 0.00 C ATOM 795 CE1 HIS A 55 5.846 -13.154 10.098 1.00 0.00 C ATOM 796 NE2 HIS A 55 6.083 -12.237 11.018 1.00 0.00 N ATOM 0 H HIS A 55 1.877 -11.242 11.254 1.00 0.00 H new ATOM 0 HA HIS A 55 3.398 -8.923 10.279 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.522 -11.455 8.840 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.660 -10.258 8.252 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.150 -10.300 11.446 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.379 -14.086 9.982 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.803 -12.293 11.738 1.00 0.00 H new ATOM 805 N GLN A 56 0.483 -9.881 9.021 1.00 0.00 N ATOM 806 CA GLN A 56 -0.717 -9.393 8.353 1.00 0.00 C ATOM 807 C GLN A 56 -1.130 -8.031 8.901 1.00 0.00 C ATOM 808 O GLN A 56 -1.436 -7.111 8.142 1.00 0.00 O ATOM 809 CB GLN A 56 -1.863 -10.392 8.522 1.00 0.00 C ATOM 810 CG GLN A 56 -1.940 -11.423 7.407 1.00 0.00 C ATOM 811 CD GLN A 56 -3.325 -12.024 7.263 1.00 0.00 C ATOM 812 OE1 GLN A 56 -4.128 -11.990 8.195 1.00 0.00 O ATOM 813 NE2 GLN A 56 -3.611 -12.578 6.091 1.00 0.00 N ATOM 0 H GLN A 56 0.497 -10.888 9.182 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.492 -9.285 7.292 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.747 -10.908 9.475 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.806 -9.847 8.567 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.651 -10.957 6.465 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.221 -12.219 7.603 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.914 -12.584 5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.527 -12.998 5.936 1.00 0.00 H new ATOM 822 N LYS A 57 -1.135 -7.908 10.224 1.00 0.00 N ATOM 823 CA LYS A 57 -1.509 -6.658 10.875 1.00 0.00 C ATOM 824 C LYS A 57 -0.585 -5.523 10.445 1.00 0.00 C ATOM 825 O LYS A 57 -1.037 -4.410 10.173 1.00 0.00 O ATOM 826 CB LYS A 57 -1.464 -6.819 12.397 1.00 0.00 C ATOM 827 CG LYS A 57 -2.539 -7.741 12.944 1.00 0.00 C ATOM 828 CD LYS A 57 -3.822 -6.983 13.246 1.00 0.00 C ATOM 829 CE LYS A 57 -3.772 -6.329 14.618 1.00 0.00 C ATOM 830 NZ LYS A 57 -4.704 -5.171 14.714 1.00 0.00 N ATOM 0 H LYS A 57 -0.884 -8.659 10.867 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.526 -6.409 10.572 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.486 -7.205 12.684 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.568 -5.838 12.861 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.744 -8.532 12.222 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.178 -8.224 13.852 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.984 -6.221 12.484 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.670 -7.666 13.198 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.027 -7.065 15.381 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.755 -5.995 14.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.641 -4.752 15.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.445 -4.457 14.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.678 -5.494 14.542 1.00 0.00 H new ATOM 844 N LYS A 58 0.710 -5.811 10.385 1.00 0.00 N ATOM 845 CA LYS A 58 1.698 -4.816 9.985 1.00 0.00 C ATOM 846 C LYS A 58 1.496 -4.402 8.531 1.00 0.00 C ATOM 847 O LYS A 58 1.246 -3.233 8.238 1.00 0.00 O ATOM 848 CB LYS A 58 3.113 -5.366 10.179 1.00 0.00 C ATOM 849 CG LYS A 58 3.759 -4.938 11.485 1.00 0.00 C ATOM 850 CD LYS A 58 2.992 -5.469 12.685 1.00 0.00 C ATOM 851 CE LYS A 58 1.941 -4.476 13.159 1.00 0.00 C ATOM 852 NZ LYS A 58 1.457 -4.793 14.531 1.00 0.00 N ATOM 0 H LYS A 58 1.101 -6.726 10.608 1.00 0.00 H new ATOM 0 HA LYS A 58 1.567 -3.937 10.615 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.079 -6.455 10.140 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.738 -5.037 9.349 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.787 -5.299 11.520 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.802 -3.850 11.532 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.511 -6.412 12.423 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.687 -5.681 13.498 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.360 -3.470 13.145 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.099 -4.480 12.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.742 -4.094 14.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.034 -5.743 14.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.256 -4.764 15.196 1.00 0.00 H new ATOM 866 N ILE A 59 1.605 -5.368 7.626 1.00 0.00 N ATOM 867 CA ILE A 59 1.432 -5.104 6.203 1.00 0.00 C ATOM 868 C ILE A 59 0.132 -4.351 5.938 1.00 0.00 C ATOM 869 O ILE A 59 0.125 -3.321 5.264 1.00 0.00 O ATOM 870 CB ILE A 59 1.432 -6.408 5.383 1.00 0.00 C ATOM 871 CG1 ILE A 59 2.738 -7.174 5.605 1.00 0.00 C ATOM 872 CG2 ILE A 59 1.233 -6.106 3.906 1.00 0.00 C ATOM 873 CD1 ILE A 59 2.797 -8.494 4.867 1.00 0.00 C ATOM 0 H ILE A 59 1.812 -6.341 7.853 1.00 0.00 H new ATOM 0 HA ILE A 59 2.277 -4.489 5.892 1.00 0.00 H new ATOM 0 HB ILE A 59 0.604 -7.032 5.720 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.574 -6.551 5.286 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.866 -7.357 6.672 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.235 -7.038 3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.279 -5.598 3.764 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.041 -5.466 3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.750 -8.982 5.070 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.982 -9.135 5.203 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.701 -8.317 3.796 1.00 0.00 H new ATOM 885 N LEU A 60 -0.966 -4.871 6.474 1.00 0.00 N ATOM 886 CA LEU A 60 -2.273 -4.247 6.298 1.00 0.00 C ATOM 887 C LEU A 60 -2.312 -2.871 6.954 1.00 0.00 C ATOM 888 O LEU A 60 -2.590 -1.867 6.300 1.00 0.00 O ATOM 889 CB LEU A 60 -3.370 -5.138 6.887 1.00 0.00 C ATOM 890 CG LEU A 60 -3.873 -6.243 5.959 1.00 0.00 C ATOM 891 CD1 LEU A 60 -2.772 -7.256 5.688 1.00 0.00 C ATOM 892 CD2 LEU A 60 -5.092 -6.927 6.559 1.00 0.00 C ATOM 0 H LEU A 60 -0.978 -5.723 7.034 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.449 -4.124 5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.993 -5.596 7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.214 -4.510 7.170 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.163 -5.791 5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.149 -8.035 5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.926 -6.756 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.450 -7.704 6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.437 -7.711 5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.826 -7.366 7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.887 -6.195 6.701 1.00 0.00 H new ATOM 904 N GLY A 61 -2.031 -2.833 8.253 1.00 0.00 N ATOM 905 CA GLY A 61 -2.039 -1.575 8.977 1.00 0.00 C ATOM 906 C GLY A 61 -1.133 -0.537 8.346 1.00 0.00 C ATOM 907 O GLY A 61 -1.398 0.662 8.431 1.00 0.00 O ATOM 0 H GLY A 61 -1.798 -3.651 8.817 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.057 -1.188 9.016 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.725 -1.750 10.006 1.00 0.00 H new ATOM 911 N SER A 62 -0.059 -0.998 7.713 1.00 0.00 N ATOM 912 CA SER A 62 0.894 -0.100 7.071 1.00 0.00 C ATOM 913 C SER A 62 0.313 0.476 5.782 1.00 0.00 C ATOM 914 O SER A 62 0.659 1.585 5.374 1.00 0.00 O ATOM 915 CB SER A 62 2.200 -0.837 6.770 1.00 0.00 C ATOM 916 OG SER A 62 3.195 0.057 6.303 1.00 0.00 O ATOM 0 H SER A 62 0.173 -1.988 7.631 1.00 0.00 H new ATOM 0 HA SER A 62 1.100 0.722 7.757 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.553 -1.340 7.670 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.021 -1.610 6.022 1.00 0.00 H new ATOM 0 HG SER A 62 3.597 0.526 7.064 1.00 0.00 H new ATOM 922 N ILE A 63 -0.571 -0.286 5.147 1.00 0.00 N ATOM 923 CA ILE A 63 -1.200 0.147 3.906 1.00 0.00 C ATOM 924 C ILE A 63 -2.365 1.093 4.181 1.00 0.00 C ATOM 925 O ILE A 63 -2.465 2.161 3.579 1.00 0.00 O ATOM 926 CB ILE A 63 -1.710 -1.052 3.085 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.543 -1.955 2.682 1.00 0.00 C ATOM 928 CG2 ILE A 63 -2.462 -0.569 1.854 1.00 0.00 C ATOM 929 CD1 ILE A 63 -0.965 -3.363 2.324 1.00 0.00 C ATOM 0 H ILE A 63 -0.868 -1.206 5.472 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.437 0.672 3.332 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.397 -1.631 3.703 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.028 -1.511 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.174 -1.996 3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.816 -1.428 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.313 0.038 2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.796 0.029 1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.087 -3.947 2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.454 -3.825 3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.659 -3.332 1.484 1.00 0.00 H new ATOM 941 N GLN A 64 -3.241 0.692 5.096 1.00 0.00 N ATOM 942 CA GLN A 64 -4.399 1.505 5.452 1.00 0.00 C ATOM 943 C GLN A 64 -4.001 2.965 5.640 1.00 0.00 C ATOM 944 O GLN A 64 -4.793 3.873 5.386 1.00 0.00 O ATOM 945 CB GLN A 64 -5.049 0.972 6.730 1.00 0.00 C ATOM 946 CG GLN A 64 -4.501 1.604 8.000 1.00 0.00 C ATOM 947 CD GLN A 64 -5.262 2.851 8.406 1.00 0.00 C ATOM 948 OE1 GLN A 64 -4.542 3.954 8.577 1.00 0.00 O flip ATOM 949 NE2 GLN A 64 -6.483 2.824 8.565 1.00 0.00 N flip ATOM 0 H GLN A 64 -3.172 -0.190 5.604 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.119 1.446 4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.124 1.147 6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.904 -0.107 6.779 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.543 0.877 8.811 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.451 1.856 7.852 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.997 1.954 8.423 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.981 3.671 8.839 1.00 0.00 H new ATOM 958 N THR A 65 -2.769 3.185 6.088 1.00 0.00 N ATOM 959 CA THR A 65 -2.266 4.535 6.311 1.00 0.00 C ATOM 960 C THR A 65 -1.609 5.092 5.054 1.00 0.00 C ATOM 961 O THR A 65 -1.568 6.305 4.849 1.00 0.00 O ATOM 962 CB THR A 65 -1.250 4.571 7.468 1.00 0.00 C ATOM 963 OG1 THR A 65 -0.927 5.928 7.794 1.00 0.00 O ATOM 964 CG2 THR A 65 0.019 3.818 7.098 1.00 0.00 C ATOM 0 H THR A 65 -2.101 2.445 6.304 1.00 0.00 H new ATOM 0 HA THR A 65 -3.125 5.153 6.572 1.00 0.00 H new ATOM 0 HB THR A 65 -1.702 4.087 8.334 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.282 5.943 8.531 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.721 3.857 7.931 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.226 2.779 6.878 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.472 4.278 6.219 1.00 0.00 H new ATOM 972 N MET A 66 -1.096 4.199 4.215 1.00 0.00 N ATOM 973 CA MET A 66 -0.442 4.603 2.976 1.00 0.00 C ATOM 974 C MET A 66 -1.458 5.148 1.977 1.00 0.00 C ATOM 975 O MET A 66 -1.159 6.064 1.211 1.00 0.00 O ATOM 976 CB MET A 66 0.311 3.420 2.362 1.00 0.00 C ATOM 977 CG MET A 66 1.738 3.280 2.866 1.00 0.00 C ATOM 978 SD MET A 66 2.764 2.275 1.776 1.00 0.00 S ATOM 979 CE MET A 66 1.844 0.738 1.768 1.00 0.00 C ATOM 0 H MET A 66 -1.120 3.191 4.370 1.00 0.00 H new ATOM 0 HA MET A 66 0.269 5.394 3.212 1.00 0.00 H new ATOM 0 HB2 MET A 66 -0.234 2.501 2.579 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.327 3.533 1.278 1.00 0.00 H new ATOM 0 HG2 MET A 66 2.183 4.270 2.966 1.00 0.00 H new ATOM 0 HG3 MET A 66 1.726 2.834 3.860 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.335 0.024 1.107 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.807 0.331 2.778 1.00 0.00 H new ATOM 0 HE3 MET A 66 0.830 0.923 1.414 1.00 0.00 H new ATOM 989 N ARG A 67 -2.658 4.577 1.990 1.00 0.00 N ATOM 990 CA ARG A 67 -3.717 5.005 1.084 1.00 0.00 C ATOM 991 C ARG A 67 -4.516 6.157 1.687 1.00 0.00 C ATOM 992 O ARG A 67 -5.080 6.979 0.966 1.00 0.00 O ATOM 993 CB ARG A 67 -4.650 3.835 0.767 1.00 0.00 C ATOM 994 CG ARG A 67 -5.015 3.000 1.983 1.00 0.00 C ATOM 995 CD ARG A 67 -6.365 2.321 1.808 1.00 0.00 C ATOM 996 NE ARG A 67 -6.976 1.980 3.090 1.00 0.00 N ATOM 997 CZ ARG A 67 -8.013 1.160 3.214 1.00 0.00 C ATOM 998 NH1 ARG A 67 -8.552 0.599 2.140 1.00 0.00 N ATOM 999 NH2 ARG A 67 -8.514 0.898 4.415 1.00 0.00 N ATOM 0 H ARG A 67 -2.921 3.817 2.618 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.253 5.351 0.161 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.563 4.222 0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.175 3.193 0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.246 2.246 2.152 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.038 3.635 2.868 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.033 2.979 1.252 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.241 1.416 1.213 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.585 2.394 3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.170 0.797 1.215 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.349 -0.030 2.239 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.102 1.327 5.244 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.311 0.268 4.509 1.00 0.00 H new ATOM 1013 N ALA A 68 -4.559 6.209 3.015 1.00 0.00 N ATOM 1014 CA ALA A 68 -5.287 7.261 3.715 1.00 0.00 C ATOM 1015 C ALA A 68 -4.887 8.640 3.202 1.00 0.00 C ATOM 1016 O ALA A 68 -5.740 9.497 2.972 1.00 0.00 O ATOM 1017 CB ALA A 68 -5.045 7.162 5.213 1.00 0.00 C ATOM 0 H ALA A 68 -4.099 5.535 3.627 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.351 7.125 3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.594 7.953 5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.387 6.192 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.980 7.270 5.417 1.00 0.00 H new ATOM 1023 N GLN A 69 -3.586 8.847 3.026 1.00 0.00 N ATOM 1024 CA GLN A 69 -3.075 10.123 2.541 1.00 0.00 C ATOM 1025 C GLN A 69 -3.583 10.414 1.133 1.00 0.00 C ATOM 1026 O GLN A 69 -3.989 11.535 0.828 1.00 0.00 O ATOM 1027 CB GLN A 69 -1.545 10.122 2.554 1.00 0.00 C ATOM 1028 CG GLN A 69 -0.929 9.202 1.513 1.00 0.00 C ATOM 1029 CD GLN A 69 0.583 9.301 1.469 1.00 0.00 C ATOM 1030 OE1 GLN A 69 1.272 8.877 2.397 1.00 0.00 O ATOM 1031 NE2 GLN A 69 1.109 9.862 0.386 1.00 0.00 N ATOM 0 H GLN A 69 -2.867 8.148 3.212 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.437 10.907 3.207 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.188 11.138 2.386 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.198 9.822 3.543 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.216 8.173 1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.334 9.447 0.531 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.501 10.200 -0.360 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.121 9.955 0.300 1.00 0.00 H new ATOM 1040 N LEU A 70 -3.557 9.397 0.278 1.00 0.00 N ATOM 1041 CA LEU A 70 -4.015 9.544 -1.099 1.00 0.00 C ATOM 1042 C LEU A 70 -5.418 10.140 -1.145 1.00 0.00 C ATOM 1043 O LEU A 70 -5.658 11.142 -1.820 1.00 0.00 O ATOM 1044 CB LEU A 70 -4.000 8.189 -1.810 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.638 7.760 -2.355 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -1.719 7.331 -1.221 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -2.799 6.635 -3.366 1.00 0.00 C ATOM 0 H LEU A 70 -3.224 8.462 0.514 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.334 10.224 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.353 7.427 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.711 8.221 -2.636 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.185 8.614 -2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.754 7.029 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.577 8.164 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.166 6.492 -0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.819 6.342 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.273 5.779 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.420 6.976 -4.194 1.00 0.00 H new ATOM 1059 N THR A 71 -6.344 9.517 -0.422 1.00 0.00 N ATOM 1060 CA THR A 71 -7.724 9.984 -0.381 1.00 0.00 C ATOM 1061 C THR A 71 -7.893 11.112 0.630 1.00 0.00 C ATOM 1062 O THR A 71 -9.007 11.416 1.056 1.00 0.00 O ATOM 1063 CB THR A 71 -8.693 8.841 -0.024 1.00 0.00 C ATOM 1064 OG1 THR A 71 -8.356 8.295 1.256 1.00 0.00 O ATOM 1065 CG2 THR A 71 -8.648 7.745 -1.078 1.00 0.00 C ATOM 0 H THR A 71 -6.163 8.687 0.143 1.00 0.00 H new ATOM 0 HA THR A 71 -7.962 10.355 -1.378 1.00 0.00 H new ATOM 0 HB THR A 71 -9.704 9.248 0.011 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.978 7.570 1.476 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.340 6.949 -0.805 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.934 8.158 -2.045 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.637 7.342 -1.140 1.00 0.00 H new ATOM 1073 N SER A 72 -6.779 11.732 1.010 1.00 0.00 N ATOM 1074 CA SER A 72 -6.804 12.825 1.975 1.00 0.00 C ATOM 1075 C SER A 72 -7.524 12.406 3.253 1.00 0.00 C ATOM 1076 O SER A 72 -7.834 11.231 3.449 1.00 0.00 O ATOM 1077 CB SER A 72 -7.489 14.052 1.369 1.00 0.00 C ATOM 1078 OG SER A 72 -6.640 14.703 0.440 1.00 0.00 O ATOM 0 H SER A 72 -5.849 11.496 0.664 1.00 0.00 H new ATOM 0 HA SER A 72 -5.774 13.079 2.226 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.412 13.750 0.873 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.766 14.747 2.162 1.00 0.00 H new ATOM 0 HG SER A 72 -7.101 15.482 0.066 1.00 0.00 H new ATOM 1084 N THR A 73 -7.787 13.377 4.122 1.00 0.00 N ATOM 1085 CA THR A 73 -8.469 13.111 5.382 1.00 0.00 C ATOM 1086 C THR A 73 -9.981 13.208 5.221 1.00 0.00 C ATOM 1087 O THR A 73 -10.723 13.173 6.202 1.00 0.00 O ATOM 1088 CB THR A 73 -8.018 14.090 6.483 1.00 0.00 C ATOM 1089 OG1 THR A 73 -8.484 13.640 7.760 1.00 0.00 O ATOM 1090 CG2 THR A 73 -8.544 15.491 6.210 1.00 0.00 C ATOM 0 H THR A 73 -7.538 14.355 3.976 1.00 0.00 H new ATOM 0 HA THR A 73 -8.202 12.096 5.676 1.00 0.00 H new ATOM 0 HB THR A 73 -6.928 14.122 6.486 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.397 13.295 7.672 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.213 16.164 7.000 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.163 15.842 5.251 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.633 15.472 6.183 1.00 0.00 H new ATOM 1098 N GLN A 74 -10.432 13.331 3.976 1.00 0.00 N ATOM 1099 CA GLN A 74 -11.858 13.433 3.687 1.00 0.00 C ATOM 1100 C GLN A 74 -12.640 12.345 4.416 1.00 0.00 C ATOM 1101 O GLN A 74 -13.560 12.634 5.180 1.00 0.00 O ATOM 1102 CB GLN A 74 -12.103 13.332 2.181 1.00 0.00 C ATOM 1103 CG GLN A 74 -13.478 13.820 1.754 1.00 0.00 C ATOM 1104 CD GLN A 74 -13.626 13.901 0.248 1.00 0.00 C ATOM 1105 OE1 GLN A 74 -12.692 13.604 -0.497 1.00 0.00 O ATOM 1106 NE2 GLN A 74 -14.806 14.306 -0.210 1.00 0.00 N ATOM 0 H GLN A 74 -9.831 13.362 3.152 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.206 14.404 4.040 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.342 13.912 1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -11.982 12.294 1.871 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -14.238 13.149 2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.661 14.804 2.187 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.553 14.542 0.443 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -14.965 14.381 -1.215 1.00 0.00 H new ATOM 1115 N GLY A 75 -12.268 11.092 4.173 1.00 0.00 N ATOM 1116 CA GLY A 75 -12.946 9.980 4.813 1.00 0.00 C ATOM 1117 C GLY A 75 -12.999 10.123 6.321 1.00 0.00 C ATOM 1118 O GLY A 75 -12.016 9.858 7.012 1.00 0.00 O ATOM 0 H GLY A 75 -11.509 10.827 3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.961 9.904 4.423 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.436 9.051 4.557 1.00 0.00 H new ATOM 1122 N SER A 76 -14.151 10.547 6.833 1.00 0.00 N ATOM 1123 CA SER A 76 -14.327 10.731 8.268 1.00 0.00 C ATOM 1124 C SER A 76 -14.742 9.424 8.937 1.00 0.00 C ATOM 1125 O SER A 76 -14.142 9.001 9.924 1.00 0.00 O ATOM 1126 CB SER A 76 -15.375 11.812 8.540 1.00 0.00 C ATOM 1127 OG SER A 76 -15.163 12.422 9.802 1.00 0.00 O ATOM 0 H SER A 76 -14.975 10.769 6.275 1.00 0.00 H new ATOM 0 HA SER A 76 -13.372 11.047 8.689 1.00 0.00 H new ATOM 0 HB2 SER A 76 -15.334 12.568 7.756 1.00 0.00 H new ATOM 0 HB3 SER A 76 -16.372 11.373 8.508 1.00 0.00 H new ATOM 0 HG SER A 76 -15.845 13.110 9.951 1.00 0.00 H new ATOM 1133 N GLY A 77 -15.774 8.789 8.391 1.00 0.00 N ATOM 1134 CA GLY A 77 -16.253 7.537 8.946 1.00 0.00 C ATOM 1135 C GLY A 77 -17.761 7.511 9.103 1.00 0.00 C ATOM 1136 O GLY A 77 -18.418 8.550 9.162 1.00 0.00 O ATOM 0 H GLY A 77 -16.287 9.119 7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -15.944 6.715 8.300 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.787 7.372 9.917 1.00 0.00 H new ATOM 1140 N PRO A 78 -18.332 6.300 9.172 1.00 0.00 N ATOM 1141 CA PRO A 78 -19.778 6.112 9.323 1.00 0.00 C ATOM 1142 C PRO A 78 -20.346 6.908 10.494 1.00 0.00 C ATOM 1143 O PRO A 78 -21.437 7.469 10.405 1.00 0.00 O ATOM 1144 CB PRO A 78 -19.917 4.610 9.581 1.00 0.00 C ATOM 1145 CG PRO A 78 -18.710 4.005 8.953 1.00 0.00 C ATOM 1146 CD PRO A 78 -17.609 5.017 9.109 1.00 0.00 C ATOM 0 HA PRO A 78 -20.327 6.460 8.448 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -19.958 4.394 10.649 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -20.833 4.216 9.140 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -18.447 3.065 9.439 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -18.888 3.782 7.901 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -17.025 4.840 10.012 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -16.914 4.988 8.270 1.00 0.00 H new ATOM 1154 N SER A 79 -19.596 6.951 11.591 1.00 0.00 N ATOM 1155 CA SER A 79 -20.026 7.675 12.782 1.00 0.00 C ATOM 1156 C SER A 79 -19.241 8.974 12.940 1.00 0.00 C ATOM 1157 O SER A 79 -18.059 9.043 12.604 1.00 0.00 O ATOM 1158 CB SER A 79 -19.848 6.804 14.026 1.00 0.00 C ATOM 1159 OG SER A 79 -18.485 6.729 14.406 1.00 0.00 O ATOM 0 H SER A 79 -18.689 6.494 11.680 1.00 0.00 H new ATOM 0 HA SER A 79 -21.082 7.920 12.667 1.00 0.00 H new ATOM 0 HB2 SER A 79 -20.436 7.214 14.848 1.00 0.00 H new ATOM 0 HB3 SER A 79 -20.230 5.802 13.830 1.00 0.00 H new ATOM 0 HG SER A 79 -18.398 6.168 15.205 1.00 0.00 H new ATOM 1165 N SER A 80 -19.909 10.002 13.454 1.00 0.00 N ATOM 1166 CA SER A 80 -19.277 11.301 13.654 1.00 0.00 C ATOM 1167 C SER A 80 -18.647 11.391 15.041 1.00 0.00 C ATOM 1168 O SER A 80 -19.347 11.497 16.047 1.00 0.00 O ATOM 1169 CB SER A 80 -20.300 12.424 13.472 1.00 0.00 C ATOM 1170 OG SER A 80 -21.383 12.277 14.374 1.00 0.00 O ATOM 0 H SER A 80 -20.887 9.961 13.739 1.00 0.00 H new ATOM 0 HA SER A 80 -18.490 11.413 12.908 1.00 0.00 H new ATOM 0 HB2 SER A 80 -19.818 13.389 13.631 1.00 0.00 H new ATOM 0 HB3 SER A 80 -20.672 12.419 12.448 1.00 0.00 H new ATOM 0 HG SER A 80 -21.050 11.947 15.234 1.00 0.00 H new ATOM 1176 N GLY A 81 -17.319 11.348 15.085 1.00 0.00 N ATOM 1177 CA GLY A 81 -16.616 11.425 16.353 1.00 0.00 C ATOM 1178 C GLY A 81 -15.580 10.330 16.509 1.00 0.00 C ATOM 1179 O GLY A 81 -15.750 9.415 17.314 1.00 0.00 O ATOM 0 H GLY A 81 -16.717 11.261 14.266 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.129 12.396 16.436 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.336 11.359 17.169 1.00 0.00 H new TER 1183 GLY A 81