USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 555 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 Single : A 5 ASN : amide:sc= -2.19! K(o=-2.2!,f=-0.24) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -151:sc= 1 (180deg=0.288) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.0023) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 24 THR OG1 : rot 83:sc= 0.925 USER MOD Single : A 25 TYR OH : rot 30:sc= 0 USER MOD Single : A 26 THR OG1 : rot -64:sc= 1.29 USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= 1.71 (180deg=1.19) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.12) USER MOD Single : A 32 LYS NZ :NH3+ 167:sc= -5.34! (180deg=-5.49!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 40 SER OG : rot -90:sc= 1.21 USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= 1.31 (180deg=1.15) USER MOD Single : A 46 SER OG : rot 62:sc= 1.33 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.34! K(o=-2.3!,f=-1.2) USER MOD Single : A 61 GLN : amide:sc= -3! C(o=-3!,f=-1.6!) USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= -0.902! (180deg=-2.69!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 5 18.615 -4.933 -0.304 1.00 0.00 N ATOM 2 CA ASN A 5 18.139 -5.198 1.048 1.00 0.00 C ATOM 3 C ASN A 5 16.951 -4.320 1.348 1.00 0.00 C ATOM 4 O ASN A 5 15.973 -4.733 1.961 1.00 0.00 O ATOM 5 CB ASN A 5 19.240 -4.947 2.070 1.00 0.00 C ATOM 6 CG ASN A 5 18.937 -5.628 3.381 1.00 0.00 C ATOM 7 OD1 ASN A 5 19.278 -5.135 4.455 1.00 0.00 O ATOM 8 ND2 ASN A 5 18.311 -6.788 3.289 1.00 0.00 N ATOM 0 HA ASN A 5 17.844 -6.245 1.113 1.00 0.00 H new ATOM 0 HB2 ASN A 5 20.191 -5.311 1.680 1.00 0.00 H new ATOM 0 HB3 ASN A 5 19.351 -3.875 2.232 1.00 0.00 H new ATOM 0 HD21 ASN A 5 18.090 -7.317 4.133 1.00 0.00 H new ATOM 0 HD22 ASN A 5 18.049 -7.155 2.374 1.00 0.00 H new ATOM 15 N GLU A 6 17.050 -3.118 0.860 1.00 0.00 N ATOM 16 CA GLU A 6 16.041 -2.099 1.029 1.00 0.00 C ATOM 17 C GLU A 6 14.895 -2.325 0.055 1.00 0.00 C ATOM 18 O GLU A 6 13.739 -2.066 0.370 1.00 0.00 O ATOM 19 CB GLU A 6 16.717 -0.755 0.798 1.00 0.00 C ATOM 20 CG GLU A 6 18.076 -0.923 0.120 1.00 0.00 C ATOM 21 CD GLU A 6 17.978 -1.277 -1.349 1.00 0.00 C ATOM 22 OE1 GLU A 6 17.873 -2.486 -1.657 1.00 0.00 O ATOM 23 OE2 GLU A 6 18.020 -0.361 -2.186 1.00 0.00 O ATOM 0 H GLU A 6 17.855 -2.805 0.317 1.00 0.00 H new ATOM 0 HA GLU A 6 15.612 -2.131 2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 6 16.076 -0.125 0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 6 16.845 -0.242 1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 6 18.643 0.002 0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 6 18.637 -1.702 0.637 1.00 0.00 H new ATOM 30 N ARG A 7 15.225 -2.824 -1.127 1.00 0.00 N ATOM 31 CA ARG A 7 14.209 -3.218 -2.081 1.00 0.00 C ATOM 32 C ARG A 7 13.518 -4.474 -1.586 1.00 0.00 C ATOM 33 O ARG A 7 12.309 -4.607 -1.709 1.00 0.00 O ATOM 34 CB ARG A 7 14.802 -3.441 -3.470 1.00 0.00 C ATOM 35 CG ARG A 7 15.329 -2.167 -4.107 1.00 0.00 C ATOM 36 CD ARG A 7 14.340 -1.021 -3.935 1.00 0.00 C ATOM 37 NE ARG A 7 14.626 0.107 -4.819 1.00 0.00 N ATOM 38 CZ ARG A 7 14.464 1.385 -4.472 1.00 0.00 C ATOM 39 NH1 ARG A 7 14.106 1.699 -3.232 1.00 0.00 N ATOM 40 NH2 ARG A 7 14.674 2.350 -5.359 1.00 0.00 N ATOM 0 H ARG A 7 16.184 -2.964 -1.444 1.00 0.00 H new ATOM 0 HA ARG A 7 13.481 -2.412 -2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 7 15.612 -4.167 -3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.040 -3.875 -4.118 1.00 0.00 H new ATOM 0 HG2 ARG A 7 16.284 -1.899 -3.656 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.514 -2.336 -5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.331 -1.384 -4.131 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.361 -0.681 -2.900 1.00 0.00 H new ATOM 0 HE ARG A 7 14.970 -0.095 -5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.954 0.962 -2.543 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.983 2.677 -2.969 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.960 2.116 -6.310 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.549 3.326 -5.090 1.00 0.00 H new ATOM 54 N ARG A 8 14.306 -5.382 -1.015 1.00 0.00 N ATOM 55 CA ARG A 8 13.775 -6.554 -0.322 1.00 0.00 C ATOM 56 C ARG A 8 12.750 -6.136 0.723 1.00 0.00 C ATOM 57 O ARG A 8 11.638 -6.662 0.780 1.00 0.00 O ATOM 58 CB ARG A 8 14.920 -7.301 0.356 1.00 0.00 C ATOM 59 CG ARG A 8 15.457 -8.473 -0.437 1.00 0.00 C ATOM 60 CD ARG A 8 14.642 -9.733 -0.193 1.00 0.00 C ATOM 61 NE ARG A 8 13.327 -9.706 -0.837 1.00 0.00 N ATOM 62 CZ ARG A 8 12.296 -10.459 -0.448 1.00 0.00 C ATOM 63 NH1 ARG A 8 12.405 -11.245 0.616 1.00 0.00 N ATOM 64 NH2 ARG A 8 11.153 -10.431 -1.120 1.00 0.00 N ATOM 0 H ARG A 8 15.325 -5.327 -1.019 1.00 0.00 H new ATOM 0 HA ARG A 8 13.288 -7.204 -1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.734 -6.601 0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 8 14.579 -7.660 1.327 1.00 0.00 H new ATOM 0 HG2 ARG A 8 15.444 -8.231 -1.500 1.00 0.00 H new ATOM 0 HG3 ARG A 8 16.497 -8.653 -0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.200 -10.595 -0.558 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.511 -9.870 0.880 1.00 0.00 H new ATOM 0 HE ARG A 8 13.191 -9.076 -1.628 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.279 -11.275 1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.614 -11.819 0.909 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.058 -9.831 -1.940 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.369 -11.009 -0.817 1.00 0.00 H new ATOM 78 N ILE A 9 13.149 -5.186 1.551 1.00 0.00 N ATOM 79 CA ILE A 9 12.265 -4.590 2.538 1.00 0.00 C ATOM 80 C ILE A 9 11.040 -3.943 1.876 1.00 0.00 C ATOM 81 O ILE A 9 9.903 -4.160 2.305 1.00 0.00 O ATOM 82 CB ILE A 9 13.030 -3.535 3.364 1.00 0.00 C ATOM 83 CG1 ILE A 9 14.022 -4.210 4.309 1.00 0.00 C ATOM 84 CG2 ILE A 9 12.069 -2.647 4.145 1.00 0.00 C ATOM 85 CD1 ILE A 9 14.951 -3.226 4.982 1.00 0.00 C ATOM 0 H ILE A 9 14.095 -4.806 1.558 1.00 0.00 H new ATOM 0 HA ILE A 9 11.914 -5.385 3.196 1.00 0.00 H new ATOM 0 HB ILE A 9 13.585 -2.903 2.671 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.473 -4.763 5.071 1.00 0.00 H new ATOM 0 HG13 ILE A 9 14.612 -4.937 3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.636 -1.913 4.718 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.405 -2.132 3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.478 -3.260 4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 9 15.633 -3.762 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.524 -2.690 4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 9 14.367 -2.515 5.566 1.00 0.00 H new ATOM 97 N LEU A 10 11.280 -3.165 0.823 1.00 0.00 N ATOM 98 CA LEU A 10 10.227 -2.397 0.166 1.00 0.00 C ATOM 99 C LEU A 10 9.210 -3.304 -0.525 1.00 0.00 C ATOM 100 O LEU A 10 8.011 -3.054 -0.459 1.00 0.00 O ATOM 101 CB LEU A 10 10.838 -1.424 -0.843 1.00 0.00 C ATOM 102 CG LEU A 10 9.981 -0.197 -1.152 1.00 0.00 C ATOM 103 CD1 LEU A 10 10.843 1.047 -1.195 1.00 0.00 C ATOM 104 CD2 LEU A 10 9.238 -0.383 -2.465 1.00 0.00 C ATOM 0 H LEU A 10 12.203 -3.050 0.404 1.00 0.00 H new ATOM 0 HA LEU A 10 9.698 -1.835 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.804 -1.089 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.029 -1.960 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 10 9.243 -0.078 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.220 1.914 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.329 1.186 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.601 0.938 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.633 0.500 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.956 -0.525 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.591 -1.258 -2.396 1.00 0.00 H new ATOM 116 N GLU A 11 9.685 -4.357 -1.187 1.00 0.00 N ATOM 117 CA GLU A 11 8.796 -5.289 -1.878 1.00 0.00 C ATOM 118 C GLU A 11 7.997 -6.105 -0.868 1.00 0.00 C ATOM 119 O GLU A 11 6.843 -6.476 -1.115 1.00 0.00 O ATOM 120 CB GLU A 11 9.589 -6.211 -2.815 1.00 0.00 C ATOM 121 CG GLU A 11 10.601 -7.086 -2.100 1.00 0.00 C ATOM 122 CD GLU A 11 11.458 -7.900 -3.045 1.00 0.00 C ATOM 123 OE1 GLU A 11 11.032 -9.006 -3.432 1.00 0.00 O ATOM 124 OE2 GLU A 11 12.575 -7.460 -3.378 1.00 0.00 O ATOM 0 H GLU A 11 10.676 -4.586 -1.260 1.00 0.00 H new ATOM 0 HA GLU A 11 8.100 -4.712 -2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.891 -6.848 -3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.108 -5.602 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.245 -6.457 -1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.075 -7.760 -1.424 1.00 0.00 H new ATOM 131 N GLN A 12 8.609 -6.375 0.279 1.00 0.00 N ATOM 132 CA GLN A 12 7.911 -7.053 1.355 1.00 0.00 C ATOM 133 C GLN A 12 6.820 -6.151 1.911 1.00 0.00 C ATOM 134 O GLN A 12 5.709 -6.609 2.198 1.00 0.00 O ATOM 135 CB GLN A 12 8.876 -7.459 2.464 1.00 0.00 C ATOM 136 CG GLN A 12 8.222 -8.326 3.523 1.00 0.00 C ATOM 137 CD GLN A 12 9.207 -8.875 4.529 1.00 0.00 C ATOM 138 OE1 GLN A 12 9.477 -8.255 5.556 1.00 0.00 O ATOM 139 NE2 GLN A 12 9.745 -10.050 4.244 1.00 0.00 N ATOM 0 H GLN A 12 9.579 -6.136 0.483 1.00 0.00 H new ATOM 0 HA GLN A 12 7.458 -7.960 0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.717 -7.998 2.028 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.281 -6.562 2.934 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.465 -7.742 4.046 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.706 -9.155 3.038 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.493 -10.530 3.380 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.412 -10.475 4.888 1.00 0.00 H new ATOM 148 N LYS A 13 7.141 -4.866 2.050 1.00 0.00 N ATOM 149 CA LYS A 13 6.150 -3.884 2.469 1.00 0.00 C ATOM 150 C LYS A 13 5.083 -3.716 1.402 1.00 0.00 C ATOM 151 O LYS A 13 3.922 -3.526 1.722 1.00 0.00 O ATOM 152 CB LYS A 13 6.788 -2.531 2.801 1.00 0.00 C ATOM 153 CG LYS A 13 7.282 -2.433 4.236 1.00 0.00 C ATOM 154 CD LYS A 13 7.582 -0.988 4.611 1.00 0.00 C ATOM 155 CE LYS A 13 7.867 -0.823 6.097 1.00 0.00 C ATOM 156 NZ LYS A 13 6.735 -1.303 6.929 1.00 0.00 N ATOM 0 H LYS A 13 8.072 -4.485 1.880 1.00 0.00 H new ATOM 0 HA LYS A 13 5.686 -4.260 3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.624 -2.356 2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.060 -1.740 2.620 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.530 -2.840 4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.180 -3.038 4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.440 -0.637 4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.735 -0.360 4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.770 -1.375 6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.060 0.227 6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.710 -0.771 7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.842 -1.160 6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.859 -2.315 7.133 1.00 0.00 H new ATOM 170 N LYS A 14 5.479 -3.814 0.138 1.00 0.00 N ATOM 171 CA LYS A 14 4.533 -3.758 -0.971 1.00 0.00 C ATOM 172 C LYS A 14 3.406 -4.765 -0.744 1.00 0.00 C ATOM 173 O LYS A 14 2.223 -4.424 -0.824 1.00 0.00 O ATOM 174 CB LYS A 14 5.251 -4.058 -2.292 1.00 0.00 C ATOM 175 CG LYS A 14 4.499 -3.555 -3.513 1.00 0.00 C ATOM 176 CD LYS A 14 5.202 -3.915 -4.815 1.00 0.00 C ATOM 177 CE LYS A 14 5.749 -2.685 -5.530 1.00 0.00 C ATOM 178 NZ LYS A 14 6.332 -3.023 -6.859 1.00 0.00 N ATOM 0 H LYS A 14 6.452 -3.933 -0.145 1.00 0.00 H new ATOM 0 HA LYS A 14 4.107 -2.756 -1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.241 -3.603 -2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.397 -5.134 -2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.494 -3.977 -3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.390 -2.472 -3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.019 -4.606 -4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.504 -4.435 -5.471 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.949 -1.956 -5.660 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.511 -2.214 -4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.692 -2.158 -7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.113 -3.699 -6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.599 -3.449 -7.462 1.00 0.00 H new ATOM 192 N HIS A 15 3.781 -5.999 -0.423 1.00 0.00 N ATOM 193 CA HIS A 15 2.796 -7.037 -0.141 1.00 0.00 C ATOM 194 C HIS A 15 2.024 -6.710 1.135 1.00 0.00 C ATOM 195 O HIS A 15 0.838 -6.996 1.237 1.00 0.00 O ATOM 196 CB HIS A 15 3.465 -8.414 -0.021 1.00 0.00 C ATOM 197 CG HIS A 15 2.548 -9.501 0.482 1.00 0.00 C ATOM 198 ND1 HIS A 15 2.948 -10.459 1.387 1.00 0.00 N ATOM 199 CD2 HIS A 15 1.243 -9.765 0.216 1.00 0.00 C ATOM 200 CE1 HIS A 15 1.934 -11.261 1.655 1.00 0.00 C ATOM 201 NE2 HIS A 15 0.889 -10.863 0.957 1.00 0.00 N ATOM 0 H HIS A 15 4.752 -6.303 -0.352 1.00 0.00 H new ATOM 0 HA HIS A 15 2.095 -7.071 -0.975 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.854 -8.704 -0.997 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.319 -8.334 0.651 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.602 -9.212 -0.455 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.957 -12.102 2.332 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.032 -11.300 0.967 1.00 0.00 H new ATOM 210 N TYR A 16 2.692 -6.103 2.100 1.00 0.00 N ATOM 211 CA TYR A 16 2.065 -5.820 3.385 1.00 0.00 C ATOM 212 C TYR A 16 1.195 -4.571 3.348 1.00 0.00 C ATOM 213 O TYR A 16 0.332 -4.394 4.201 1.00 0.00 O ATOM 214 CB TYR A 16 3.110 -5.744 4.490 1.00 0.00 C ATOM 215 CG TYR A 16 3.473 -7.115 4.995 1.00 0.00 C ATOM 216 CD1 TYR A 16 2.473 -8.008 5.357 1.00 0.00 C ATOM 217 CD2 TYR A 16 4.791 -7.527 5.105 1.00 0.00 C ATOM 218 CE1 TYR A 16 2.771 -9.271 5.811 1.00 0.00 C ATOM 219 CE2 TYR A 16 5.102 -8.795 5.561 1.00 0.00 C ATOM 220 CZ TYR A 16 4.089 -9.663 5.913 1.00 0.00 C ATOM 221 OH TYR A 16 4.392 -10.930 6.351 1.00 0.00 O ATOM 0 H TYR A 16 3.662 -5.797 2.022 1.00 0.00 H new ATOM 0 HA TYR A 16 1.395 -6.651 3.607 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.003 -5.244 4.115 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.728 -5.140 5.313 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.440 -7.704 5.280 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.586 -6.849 4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.978 -9.951 6.086 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.134 -9.105 5.641 1.00 0.00 H new ATOM 0 HH TYR A 16 5.365 -11.048 6.365 1.00 0.00 H new ATOM 231 N PHE A 17 1.416 -3.721 2.357 1.00 0.00 N ATOM 232 CA PHE A 17 0.527 -2.599 2.097 1.00 0.00 C ATOM 233 C PHE A 17 -0.686 -3.100 1.333 1.00 0.00 C ATOM 234 O PHE A 17 -1.758 -2.516 1.395 1.00 0.00 O ATOM 235 CB PHE A 17 1.234 -1.516 1.296 1.00 0.00 C ATOM 236 CG PHE A 17 0.396 -0.293 1.097 1.00 0.00 C ATOM 237 CD1 PHE A 17 0.008 0.459 2.184 1.00 0.00 C ATOM 238 CD2 PHE A 17 -0.002 0.099 -0.174 1.00 0.00 C ATOM 239 CE1 PHE A 17 -0.767 1.588 2.018 1.00 0.00 C ATOM 240 CE2 PHE A 17 -0.777 1.227 -0.349 1.00 0.00 C ATOM 241 CZ PHE A 17 -1.162 1.974 0.749 1.00 0.00 C ATOM 0 H PHE A 17 2.207 -3.788 1.717 1.00 0.00 H new ATOM 0 HA PHE A 17 0.218 -2.164 3.047 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.156 -1.238 1.806 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.517 -1.918 0.323 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.314 0.162 3.176 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.297 -0.484 -1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.065 2.170 2.877 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.082 1.526 -1.341 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.770 2.857 0.617 1.00 0.00 H new ATOM 251 N TRP A 18 -0.499 -4.192 0.605 1.00 0.00 N ATOM 252 CA TRP A 18 -1.613 -4.901 -0.023 1.00 0.00 C ATOM 253 C TRP A 18 -2.346 -5.655 1.065 1.00 0.00 C ATOM 254 O TRP A 18 -3.559 -5.768 1.058 1.00 0.00 O ATOM 255 CB TRP A 18 -1.097 -5.871 -1.086 1.00 0.00 C ATOM 256 CG TRP A 18 -2.127 -6.534 -1.978 1.00 0.00 C ATOM 257 CD1 TRP A 18 -1.862 -7.596 -2.792 1.00 0.00 C ATOM 258 CD2 TRP A 18 -3.533 -6.217 -2.193 1.00 0.00 C ATOM 259 NE1 TRP A 18 -2.976 -7.949 -3.502 1.00 0.00 N ATOM 260 CE2 TRP A 18 -4.011 -7.134 -3.154 1.00 0.00 C ATOM 261 CE3 TRP A 18 -4.441 -5.266 -1.686 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -5.325 -7.133 -3.610 1.00 0.00 C ATOM 263 CZ3 TRP A 18 -5.750 -5.270 -2.158 1.00 0.00 C ATOM 264 CH2 TRP A 18 -6.173 -6.195 -3.107 1.00 0.00 C ATOM 0 H TRP A 18 0.415 -4.610 0.432 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.282 -4.196 -0.516 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.396 -5.332 -1.723 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.532 -6.655 -0.582 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.904 -8.090 -2.866 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.025 -8.705 -4.186 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.126 -4.547 -0.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.662 -7.854 -4.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.451 -4.541 -1.780 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.196 -6.168 -3.452 1.00 0.00 H new ATOM 275 N LEU A 19 -1.579 -6.115 2.038 1.00 0.00 N ATOM 276 CA LEU A 19 -2.122 -6.823 3.177 1.00 0.00 C ATOM 277 C LEU A 19 -2.913 -5.817 3.997 1.00 0.00 C ATOM 278 O LEU A 19 -3.952 -6.115 4.594 1.00 0.00 O ATOM 279 CB LEU A 19 -0.961 -7.413 3.988 1.00 0.00 C ATOM 280 CG LEU A 19 -1.305 -8.582 4.902 1.00 0.00 C ATOM 281 CD1 LEU A 19 -0.604 -9.834 4.418 1.00 0.00 C ATOM 282 CD2 LEU A 19 -0.888 -8.286 6.330 1.00 0.00 C ATOM 0 H LEU A 19 -0.565 -6.007 2.058 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.775 -7.642 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.187 -7.738 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.529 -6.618 4.596 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.384 -8.734 4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.853 -10.667 5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.928 -10.063 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.474 -9.674 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.143 -9.133 6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.188 -8.115 6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.409 -7.397 6.684 1.00 0.00 H new ATOM 294 N LEU A 20 -2.402 -4.601 3.969 1.00 0.00 N ATOM 295 CA LEU A 20 -3.021 -3.464 4.618 1.00 0.00 C ATOM 296 C LEU A 20 -4.262 -3.024 3.833 1.00 0.00 C ATOM 297 O LEU A 20 -5.348 -2.879 4.393 1.00 0.00 O ATOM 298 CB LEU A 20 -1.993 -2.326 4.691 1.00 0.00 C ATOM 299 CG LEU A 20 -2.110 -1.394 5.886 1.00 0.00 C ATOM 300 CD1 LEU A 20 -3.460 -0.707 5.894 1.00 0.00 C ATOM 301 CD2 LEU A 20 -1.869 -2.178 7.174 1.00 0.00 C ATOM 0 H LEU A 20 -1.532 -4.373 3.487 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.338 -3.732 5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.995 -2.765 4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.076 -1.730 3.782 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.351 -0.615 5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.526 -0.044 6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.578 -0.126 4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.249 -1.456 5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.953 -1.508 8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.611 -2.972 7.261 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.871 -2.615 7.153 1.00 0.00 H new ATOM 313 N LEU A 21 -4.094 -2.835 2.529 1.00 0.00 N ATOM 314 CA LEU A 21 -5.174 -2.391 1.658 1.00 0.00 C ATOM 315 C LEU A 21 -6.268 -3.450 1.590 1.00 0.00 C ATOM 316 O LEU A 21 -7.425 -3.141 1.327 1.00 0.00 O ATOM 317 CB LEU A 21 -4.635 -2.110 0.244 1.00 0.00 C ATOM 318 CG LEU A 21 -5.171 -0.850 -0.466 1.00 0.00 C ATOM 319 CD1 LEU A 21 -6.689 -0.771 -0.422 1.00 0.00 C ATOM 320 CD2 LEU A 21 -4.552 0.405 0.120 1.00 0.00 C ATOM 0 H LEU A 21 -3.207 -2.985 2.048 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.594 -1.473 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.550 -2.031 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.858 -2.974 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.881 -0.925 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.021 0.132 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.113 -1.645 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.022 -0.743 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.945 1.280 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.796 0.470 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.469 0.368 -0.002 1.00 0.00 H new ATOM 332 N GLN A 22 -5.898 -4.696 1.834 1.00 0.00 N ATOM 333 CA GLN A 22 -6.841 -5.796 1.746 1.00 0.00 C ATOM 334 C GLN A 22 -7.691 -5.890 3.005 1.00 0.00 C ATOM 335 O GLN A 22 -8.890 -6.144 2.922 1.00 0.00 O ATOM 336 CB GLN A 22 -6.110 -7.115 1.497 1.00 0.00 C ATOM 337 CG GLN A 22 -7.034 -8.279 1.204 1.00 0.00 C ATOM 338 CD GLN A 22 -6.279 -9.529 0.802 1.00 0.00 C ATOM 339 OE1 GLN A 22 -5.203 -9.459 0.213 1.00 0.00 O ATOM 340 NE2 GLN A 22 -6.837 -10.686 1.120 1.00 0.00 N ATOM 0 H GLN A 22 -4.951 -4.970 2.095 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.504 -5.602 0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.424 -6.987 0.659 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.504 -7.355 2.371 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.638 -8.491 2.086 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -7.722 -8.001 0.406 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.732 -10.703 1.609 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.372 -11.561 0.876 1.00 0.00 H new ATOM 349 N ARG A 23 -7.081 -5.684 4.172 1.00 0.00 N ATOM 350 CA ARG A 23 -7.841 -5.676 5.424 1.00 0.00 C ATOM 351 C ARG A 23 -8.857 -4.540 5.399 1.00 0.00 C ATOM 352 O ARG A 23 -9.960 -4.646 5.931 1.00 0.00 O ATOM 353 CB ARG A 23 -6.906 -5.504 6.631 1.00 0.00 C ATOM 354 CG ARG A 23 -6.609 -4.047 6.969 1.00 0.00 C ATOM 355 CD ARG A 23 -5.716 -3.912 8.163 1.00 0.00 C ATOM 356 NE ARG A 23 -4.402 -4.413 7.864 1.00 0.00 N ATOM 357 CZ ARG A 23 -3.426 -4.470 8.718 1.00 0.00 C ATOM 358 NH1 ARG A 23 -3.555 -3.993 9.949 1.00 0.00 N ATOM 359 NH2 ARG A 23 -2.298 -4.989 8.326 1.00 0.00 N ATOM 0 H ARG A 23 -6.079 -5.523 4.278 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.358 -6.631 5.520 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.355 -5.986 7.500 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.967 -6.020 6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.140 -3.565 6.111 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.545 -3.522 7.157 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.654 -2.866 8.463 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.138 -4.460 9.005 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.225 -4.746 6.916 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.436 -3.570 10.242 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.774 -4.049 10.602 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.201 -5.336 7.372 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.512 -5.048 8.973 1.00 0.00 H new ATOM 373 N THR A 24 -8.459 -3.460 4.756 1.00 0.00 N ATOM 374 CA THR A 24 -9.254 -2.259 4.686 1.00 0.00 C ATOM 375 C THR A 24 -10.298 -2.377 3.584 1.00 0.00 C ATOM 376 O THR A 24 -11.490 -2.174 3.807 1.00 0.00 O ATOM 377 CB THR A 24 -8.325 -1.065 4.417 1.00 0.00 C ATOM 378 OG1 THR A 24 -7.274 -1.041 5.394 1.00 0.00 O ATOM 379 CG2 THR A 24 -9.081 0.242 4.452 1.00 0.00 C ATOM 0 H THR A 24 -7.567 -3.395 4.265 1.00 0.00 H new ATOM 0 HA THR A 24 -9.777 -2.111 5.631 1.00 0.00 H new ATOM 0 HB THR A 24 -7.902 -1.184 3.420 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.561 -1.657 5.123 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.394 1.065 4.258 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.860 0.232 3.690 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.536 0.373 5.434 1.00 0.00 H new ATOM 387 N TYR A 25 -9.827 -2.724 2.400 1.00 0.00 N ATOM 388 CA TYR A 25 -10.675 -2.881 1.232 1.00 0.00 C ATOM 389 C TYR A 25 -10.463 -4.255 0.615 1.00 0.00 C ATOM 390 O TYR A 25 -9.579 -4.442 -0.231 1.00 0.00 O ATOM 391 CB TYR A 25 -10.350 -1.806 0.219 1.00 0.00 C ATOM 392 CG TYR A 25 -10.624 -0.430 0.743 1.00 0.00 C ATOM 393 CD1 TYR A 25 -11.919 0.026 0.846 1.00 0.00 C ATOM 394 CD2 TYR A 25 -9.594 0.413 1.120 1.00 0.00 C ATOM 395 CE1 TYR A 25 -12.189 1.300 1.312 1.00 0.00 C ATOM 396 CE2 TYR A 25 -9.845 1.681 1.575 1.00 0.00 C ATOM 397 CZ TYR A 25 -11.141 2.126 1.670 1.00 0.00 C ATOM 398 OH TYR A 25 -11.383 3.400 2.115 1.00 0.00 O ATOM 0 H TYR A 25 -8.840 -2.906 2.221 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.718 -2.787 1.533 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.300 -1.882 -0.064 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -10.937 -1.972 -0.684 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.735 -0.620 0.559 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.574 0.065 1.055 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.209 1.646 1.395 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.027 2.328 1.858 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.252 3.429 2.566 1.00 0.00 H new ATOM 408 N THR A 26 -11.259 -5.209 1.053 1.00 0.00 N ATOM 409 CA THR A 26 -11.120 -6.586 0.619 1.00 0.00 C ATOM 410 C THR A 26 -11.957 -6.846 -0.637 1.00 0.00 C ATOM 411 O THR A 26 -12.152 -5.952 -1.458 1.00 0.00 O ATOM 412 CB THR A 26 -11.563 -7.535 1.748 1.00 0.00 C ATOM 413 OG1 THR A 26 -11.384 -6.888 3.014 1.00 0.00 O ATOM 414 CG2 THR A 26 -10.746 -8.820 1.723 1.00 0.00 C ATOM 0 H THR A 26 -12.018 -5.054 1.717 1.00 0.00 H new ATOM 0 HA THR A 26 -10.073 -6.770 0.380 1.00 0.00 H new ATOM 0 HB THR A 26 -12.614 -7.783 1.600 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.430 -6.721 3.164 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.075 -9.476 2.529 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.887 -9.322 0.766 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.691 -8.583 1.857 1.00 0.00 H new ATOM 422 N LYS A 27 -12.419 -8.078 -0.801 1.00 0.00 N ATOM 423 CA LYS A 27 -13.265 -8.428 -1.927 1.00 0.00 C ATOM 424 C LYS A 27 -14.732 -8.390 -1.522 1.00 0.00 C ATOM 425 O LYS A 27 -15.609 -8.148 -2.350 1.00 0.00 O ATOM 426 CB LYS A 27 -12.894 -9.815 -2.444 1.00 0.00 C ATOM 427 CG LYS A 27 -12.722 -10.853 -1.343 1.00 0.00 C ATOM 428 CD LYS A 27 -12.885 -12.267 -1.885 1.00 0.00 C ATOM 429 CE LYS A 27 -11.738 -12.656 -2.808 1.00 0.00 C ATOM 430 NZ LYS A 27 -12.093 -13.796 -3.698 1.00 0.00 N ATOM 0 H LYS A 27 -12.220 -8.851 -0.166 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.109 -7.700 -2.723 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.667 -10.155 -3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.967 -9.745 -3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.736 -10.746 -0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.455 -10.676 -0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.937 -12.971 -1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.828 -12.342 -2.426 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.456 -11.797 -3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.867 -12.922 -2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.482 -13.782 -4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.957 -14.691 -3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.087 -13.712 -3.990 1.00 0.00 H new ATOM 444 N THR A 28 -14.988 -8.627 -0.244 1.00 0.00 N ATOM 445 CA THR A 28 -16.349 -8.651 0.263 1.00 0.00 C ATOM 446 C THR A 28 -16.565 -7.586 1.340 1.00 0.00 C ATOM 447 O THR A 28 -17.674 -7.077 1.487 1.00 0.00 O ATOM 448 CB THR A 28 -16.711 -10.047 0.824 1.00 0.00 C ATOM 449 OG1 THR A 28 -18.030 -10.032 1.385 1.00 0.00 O ATOM 450 CG2 THR A 28 -15.709 -10.495 1.880 1.00 0.00 C ATOM 0 H THR A 28 -14.271 -8.805 0.459 1.00 0.00 H new ATOM 0 HA THR A 28 -17.007 -8.429 -0.577 1.00 0.00 H new ATOM 0 HB THR A 28 -16.678 -10.756 -0.004 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.247 -10.921 1.735 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.991 -11.479 2.255 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.714 -10.546 1.439 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.705 -9.781 2.703 1.00 0.00 H new ATOM 458 N GLY A 29 -15.510 -7.278 2.100 1.00 0.00 N ATOM 459 CA GLY A 29 -15.580 -6.259 3.112 1.00 0.00 C ATOM 460 C GLY A 29 -15.930 -4.896 2.546 1.00 0.00 C ATOM 461 O GLY A 29 -17.098 -4.518 2.478 1.00 0.00 O ATOM 0 H GLY A 29 -14.600 -7.731 2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.325 -6.542 3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.622 -6.199 3.628 1.00 0.00 H new ATOM 465 N LYS A 30 -14.911 -4.152 2.152 1.00 0.00 N ATOM 466 CA LYS A 30 -15.115 -2.901 1.443 1.00 0.00 C ATOM 467 C LYS A 30 -14.467 -2.994 0.076 1.00 0.00 C ATOM 468 O LYS A 30 -13.383 -3.559 -0.060 1.00 0.00 O ATOM 469 CB LYS A 30 -14.536 -1.712 2.218 1.00 0.00 C ATOM 470 CG LYS A 30 -15.162 -1.520 3.590 1.00 0.00 C ATOM 471 CD LYS A 30 -14.696 -0.234 4.258 1.00 0.00 C ATOM 472 CE LYS A 30 -15.062 0.996 3.441 1.00 0.00 C ATOM 473 NZ LYS A 30 -14.835 2.256 4.201 1.00 0.00 N ATOM 0 H LYS A 30 -13.933 -4.393 2.311 1.00 0.00 H new ATOM 0 HA LYS A 30 -16.187 -2.734 1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.461 -1.853 2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.677 -0.803 1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.248 -1.505 3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.910 -2.369 4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.143 -0.157 5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.616 -0.269 4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.470 1.013 2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.109 0.935 3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.982 3.072 3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.503 2.307 4.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.861 2.271 4.565 1.00 0.00 H new ATOM 487 N PRO A 31 -15.125 -2.467 -0.955 1.00 0.00 N ATOM 488 CA PRO A 31 -14.606 -2.507 -2.319 1.00 0.00 C ATOM 489 C PRO A 31 -13.365 -1.641 -2.469 1.00 0.00 C ATOM 490 O PRO A 31 -13.286 -0.563 -1.877 1.00 0.00 O ATOM 491 CB PRO A 31 -15.758 -1.942 -3.167 1.00 0.00 C ATOM 492 CG PRO A 31 -16.954 -1.968 -2.272 1.00 0.00 C ATOM 493 CD PRO A 31 -16.419 -1.778 -0.885 1.00 0.00 C ATOM 0 HA PRO A 31 -14.305 -3.512 -2.615 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.539 -0.928 -3.502 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.922 -2.545 -4.060 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.657 -1.177 -2.533 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.490 -2.913 -2.360 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.306 -0.724 -0.633 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.074 -2.217 -0.132 1.00 0.00 H new ATOM 501 N LYS A 32 -12.382 -2.132 -3.223 1.00 0.00 N ATOM 502 CA LYS A 32 -11.208 -1.343 -3.551 1.00 0.00 C ATOM 503 C LYS A 32 -11.647 -0.005 -4.131 1.00 0.00 C ATOM 504 O LYS A 32 -12.459 0.041 -5.054 1.00 0.00 O ATOM 505 CB LYS A 32 -10.303 -2.108 -4.528 1.00 0.00 C ATOM 506 CG LYS A 32 -9.039 -1.358 -4.933 1.00 0.00 C ATOM 507 CD LYS A 32 -7.785 -2.179 -4.683 1.00 0.00 C ATOM 508 CE LYS A 32 -7.450 -2.280 -3.200 1.00 0.00 C ATOM 509 NZ LYS A 32 -8.354 -3.200 -2.451 1.00 0.00 N ATOM 0 H LYS A 32 -12.381 -3.073 -3.616 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.628 -1.157 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.018 -3.057 -4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.875 -2.343 -5.426 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.096 -1.096 -5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.978 -0.423 -4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.921 -3.180 -5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.946 -1.729 -5.214 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.421 -2.624 -3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.504 -1.287 -2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.949 -3.397 -1.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.287 -2.755 -2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.457 -4.091 -2.978 1.00 0.00 H new ATOM 523 N PRO A 33 -11.126 1.092 -3.566 1.00 0.00 N ATOM 524 CA PRO A 33 -11.577 2.469 -3.851 1.00 0.00 C ATOM 525 C PRO A 33 -11.608 2.817 -5.332 1.00 0.00 C ATOM 526 O PRO A 33 -10.785 2.342 -6.118 1.00 0.00 O ATOM 527 CB PRO A 33 -10.514 3.286 -3.116 1.00 0.00 C ATOM 528 CG PRO A 33 -10.214 2.427 -1.971 1.00 0.00 C ATOM 529 CD PRO A 33 -10.013 1.115 -2.604 1.00 0.00 C ATOM 0 HA PRO A 33 -12.605 2.647 -3.537 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.635 3.464 -3.735 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.889 4.262 -2.808 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.325 2.760 -1.435 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.032 2.410 -1.251 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.043 1.039 -3.095 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.072 0.297 -1.886 1.00 0.00 H new ATOM 537 N SER A 34 -12.554 3.676 -5.688 1.00 0.00 N ATOM 538 CA SER A 34 -12.738 4.108 -7.063 1.00 0.00 C ATOM 539 C SER A 34 -11.616 5.063 -7.444 1.00 0.00 C ATOM 540 O SER A 34 -11.320 5.282 -8.617 1.00 0.00 O ATOM 541 CB SER A 34 -14.087 4.816 -7.193 1.00 0.00 C ATOM 542 OG SER A 34 -15.086 4.138 -6.444 1.00 0.00 O ATOM 0 H SER A 34 -13.214 4.091 -5.031 1.00 0.00 H new ATOM 0 HA SER A 34 -12.718 3.245 -7.728 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.998 5.844 -6.843 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.380 4.861 -8.242 1.00 0.00 H new ATOM 0 HG SER A 34 -15.941 4.608 -6.539 1.00 0.00 H new ATOM 548 N THR A 35 -11.015 5.645 -6.418 1.00 0.00 N ATOM 549 CA THR A 35 -9.891 6.552 -6.583 1.00 0.00 C ATOM 550 C THR A 35 -9.025 6.513 -5.330 1.00 0.00 C ATOM 551 O THR A 35 -9.540 6.363 -4.220 1.00 0.00 O ATOM 552 CB THR A 35 -10.362 7.998 -6.848 1.00 0.00 C ATOM 553 OG1 THR A 35 -11.403 8.009 -7.837 1.00 0.00 O ATOM 554 CG2 THR A 35 -9.197 8.849 -7.333 1.00 0.00 C ATOM 0 H THR A 35 -11.293 5.501 -5.447 1.00 0.00 H new ATOM 0 HA THR A 35 -9.314 6.227 -7.448 1.00 0.00 H new ATOM 0 HB THR A 35 -10.747 8.411 -5.916 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.694 8.931 -7.995 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.541 9.867 -7.517 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.415 8.862 -6.574 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.799 8.429 -8.257 1.00 0.00 H new ATOM 562 N TRP A 36 -7.717 6.643 -5.507 1.00 0.00 N ATOM 563 CA TRP A 36 -6.779 6.577 -4.391 1.00 0.00 C ATOM 564 C TRP A 36 -6.978 7.748 -3.412 1.00 0.00 C ATOM 565 O TRP A 36 -6.523 7.698 -2.271 1.00 0.00 O ATOM 566 CB TRP A 36 -5.338 6.484 -4.917 1.00 0.00 C ATOM 567 CG TRP A 36 -4.262 6.767 -3.910 1.00 0.00 C ATOM 568 CD1 TRP A 36 -3.368 7.801 -3.938 1.00 0.00 C ATOM 569 CD2 TRP A 36 -3.966 6.010 -2.729 1.00 0.00 C ATOM 570 NE1 TRP A 36 -2.512 7.720 -2.866 1.00 0.00 N ATOM 571 CE2 TRP A 36 -2.869 6.636 -2.101 1.00 0.00 C ATOM 572 CE3 TRP A 36 -4.521 4.864 -2.139 1.00 0.00 C ATOM 573 CZ2 TRP A 36 -2.316 6.149 -0.921 1.00 0.00 C ATOM 574 CZ3 TRP A 36 -3.970 4.390 -0.965 1.00 0.00 C ATOM 575 CH2 TRP A 36 -2.879 5.033 -0.368 1.00 0.00 C ATOM 0 H TRP A 36 -7.279 6.795 -6.415 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.980 5.671 -3.819 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.181 5.483 -5.319 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.227 7.182 -5.747 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.339 8.571 -4.694 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.740 8.358 -2.671 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.362 4.363 -2.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.471 6.636 -0.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.387 3.509 -0.500 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.473 4.638 0.551 1.00 0.00 H new ATOM 586 N ASP A 37 -7.707 8.777 -3.842 1.00 0.00 N ATOM 587 CA ASP A 37 -7.990 9.933 -2.983 1.00 0.00 C ATOM 588 C ASP A 37 -8.780 9.524 -1.743 1.00 0.00 C ATOM 589 O ASP A 37 -8.349 9.762 -0.614 1.00 0.00 O ATOM 590 CB ASP A 37 -8.784 10.984 -3.769 1.00 0.00 C ATOM 591 CG ASP A 37 -9.311 12.113 -2.891 1.00 0.00 C ATOM 592 OD1 ASP A 37 -10.428 11.973 -2.347 1.00 0.00 O ATOM 593 OD2 ASP A 37 -8.622 13.144 -2.752 1.00 0.00 O ATOM 0 H ASP A 37 -8.112 8.837 -4.776 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.037 10.352 -2.660 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.148 11.404 -4.548 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.622 10.499 -4.269 1.00 0.00 H new ATOM 598 N LEU A 38 -9.905 8.851 -1.951 1.00 0.00 N ATOM 599 CA LEU A 38 -10.749 8.430 -0.839 1.00 0.00 C ATOM 600 C LEU A 38 -10.061 7.323 -0.057 1.00 0.00 C ATOM 601 O LEU A 38 -10.222 7.198 1.163 1.00 0.00 O ATOM 602 CB LEU A 38 -12.125 7.962 -1.336 1.00 0.00 C ATOM 603 CG LEU A 38 -12.101 6.958 -2.494 1.00 0.00 C ATOM 604 CD1 LEU A 38 -12.895 5.708 -2.145 1.00 0.00 C ATOM 605 CD2 LEU A 38 -12.657 7.597 -3.757 1.00 0.00 C ATOM 0 H LEU A 38 -10.253 8.586 -2.873 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.905 9.286 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.661 7.513 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.696 8.836 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.066 6.667 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.863 5.011 -2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.462 5.236 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.930 5.980 -1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.634 6.873 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.685 7.914 -3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.051 8.463 -4.024 1.00 0.00 H new ATOM 617 N ALA A 39 -9.250 6.557 -0.766 1.00 0.00 N ATOM 618 CA ALA A 39 -8.562 5.432 -0.178 1.00 0.00 C ATOM 619 C ALA A 39 -7.532 5.905 0.820 1.00 0.00 C ATOM 620 O ALA A 39 -7.534 5.488 1.968 1.00 0.00 O ATOM 621 CB ALA A 39 -7.891 4.622 -1.262 1.00 0.00 C ATOM 0 H ALA A 39 -9.054 6.699 -1.757 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.290 4.809 0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.373 3.774 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.643 4.259 -1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.173 5.248 -1.792 1.00 0.00 H new ATOM 627 N SER A 40 -6.687 6.821 0.374 1.00 0.00 N ATOM 628 CA SER A 40 -5.591 7.312 1.184 1.00 0.00 C ATOM 629 C SER A 40 -6.089 8.121 2.376 1.00 0.00 C ATOM 630 O SER A 40 -5.484 8.100 3.445 1.00 0.00 O ATOM 631 CB SER A 40 -4.648 8.155 0.334 1.00 0.00 C ATOM 632 OG SER A 40 -5.343 9.181 -0.357 1.00 0.00 O ATOM 0 H SER A 40 -6.743 7.241 -0.554 1.00 0.00 H new ATOM 0 HA SER A 40 -5.052 6.448 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.882 8.599 0.970 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.135 7.515 -0.384 1.00 0.00 H new ATOM 0 HG SER A 40 -5.637 8.846 -1.230 1.00 0.00 H new ATOM 638 N LYS A 41 -7.185 8.831 2.184 1.00 0.00 N ATOM 639 CA LYS A 41 -7.758 9.639 3.247 1.00 0.00 C ATOM 640 C LYS A 41 -8.275 8.776 4.391 1.00 0.00 C ATOM 641 O LYS A 41 -8.083 9.107 5.562 1.00 0.00 O ATOM 642 CB LYS A 41 -8.857 10.522 2.676 1.00 0.00 C ATOM 643 CG LYS A 41 -8.306 11.597 1.765 1.00 0.00 C ATOM 644 CD LYS A 41 -9.375 12.570 1.331 1.00 0.00 C ATOM 645 CE LYS A 41 -10.695 11.874 1.075 1.00 0.00 C ATOM 646 NZ LYS A 41 -11.492 12.585 0.042 1.00 0.00 N ATOM 0 H LYS A 41 -7.697 8.865 1.302 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.976 10.274 3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.566 9.906 2.122 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.409 10.987 3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.511 12.137 2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.859 11.133 0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.508 13.331 2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.053 13.084 0.425 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.511 10.849 0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.265 11.819 2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.367 12.055 -0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.731 13.538 0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.937 12.660 -0.834 1.00 0.00 H new ATOM 660 N GLU A 42 -8.914 7.664 4.060 1.00 0.00 N ATOM 661 CA GLU A 42 -9.368 6.732 5.091 1.00 0.00 C ATOM 662 C GLU A 42 -8.202 5.852 5.563 1.00 0.00 C ATOM 663 O GLU A 42 -8.208 5.336 6.680 1.00 0.00 O ATOM 664 CB GLU A 42 -10.528 5.861 4.581 1.00 0.00 C ATOM 665 CG GLU A 42 -11.164 5.005 5.670 1.00 0.00 C ATOM 666 CD GLU A 42 -12.412 4.270 5.216 1.00 0.00 C ATOM 667 OE1 GLU A 42 -13.425 4.939 4.919 1.00 0.00 O ATOM 668 OE2 GLU A 42 -12.404 3.019 5.194 1.00 0.00 O ATOM 0 H GLU A 42 -9.129 7.384 3.103 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.734 7.314 5.937 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.291 6.505 4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.163 5.212 3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.432 4.278 6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.416 5.641 6.519 1.00 0.00 H new ATOM 675 N LEU A 43 -7.188 5.731 4.710 1.00 0.00 N ATOM 676 CA LEU A 43 -6.051 4.843 4.951 1.00 0.00 C ATOM 677 C LEU A 43 -5.025 5.450 5.909 1.00 0.00 C ATOM 678 O LEU A 43 -4.157 4.743 6.419 1.00 0.00 O ATOM 679 CB LEU A 43 -5.351 4.535 3.620 1.00 0.00 C ATOM 680 CG LEU A 43 -5.123 3.055 3.313 1.00 0.00 C ATOM 681 CD1 LEU A 43 -4.389 2.382 4.454 1.00 0.00 C ATOM 682 CD2 LEU A 43 -6.448 2.368 3.038 1.00 0.00 C ATOM 0 H LEU A 43 -7.130 6.246 3.831 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.446 3.936 5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.942 4.967 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.385 5.040 3.614 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.502 2.973 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.236 1.329 4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.423 2.865 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.979 2.467 5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.273 1.314 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.092 2.456 3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.932 2.840 2.183 1.00 0.00 H new ATOM 694 N GLY A 44 -5.114 6.750 6.156 1.00 0.00 N ATOM 695 CA GLY A 44 -4.039 7.435 6.862 1.00 0.00 C ATOM 696 C GLY A 44 -3.931 7.088 8.337 1.00 0.00 C ATOM 697 O GLY A 44 -3.022 7.564 9.020 1.00 0.00 O ATOM 0 H GLY A 44 -5.900 7.341 5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.093 7.197 6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.186 8.511 6.765 1.00 0.00 H new ATOM 701 N GLU A 45 -4.836 6.263 8.835 1.00 0.00 N ATOM 702 CA GLU A 45 -4.761 5.823 10.207 1.00 0.00 C ATOM 703 C GLU A 45 -4.118 4.433 10.313 1.00 0.00 C ATOM 704 O GLU A 45 -3.818 3.965 11.411 1.00 0.00 O ATOM 705 CB GLU A 45 -6.140 5.873 10.874 1.00 0.00 C ATOM 706 CG GLU A 45 -7.207 5.029 10.199 1.00 0.00 C ATOM 707 CD GLU A 45 -7.202 3.598 10.684 1.00 0.00 C ATOM 708 OE1 GLU A 45 -7.623 3.360 11.837 1.00 0.00 O ATOM 709 OE2 GLU A 45 -6.777 2.707 9.926 1.00 0.00 O ATOM 0 H GLU A 45 -5.626 5.889 8.309 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.114 6.512 10.749 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.039 5.546 11.909 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.478 6.909 10.899 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.186 5.469 10.385 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.050 5.045 9.120 1.00 0.00 H new ATOM 716 N SER A 46 -3.900 3.781 9.169 1.00 0.00 N ATOM 717 CA SER A 46 -3.130 2.547 9.127 1.00 0.00 C ATOM 718 C SER A 46 -1.729 2.844 8.592 1.00 0.00 C ATOM 719 O SER A 46 -1.549 3.195 7.422 1.00 0.00 O ATOM 720 CB SER A 46 -3.840 1.496 8.271 1.00 0.00 C ATOM 721 OG SER A 46 -5.005 1.002 8.914 1.00 0.00 O ATOM 0 H SER A 46 -4.248 4.091 8.262 1.00 0.00 H new ATOM 0 HA SER A 46 -3.042 2.140 10.134 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.111 1.931 7.309 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.158 0.671 8.067 1.00 0.00 H new ATOM 0 HG SER A 46 -5.643 1.735 9.044 1.00 0.00 H new ATOM 727 N LEU A 47 -0.737 2.682 9.460 1.00 0.00 N ATOM 728 CA LEU A 47 0.603 3.216 9.230 1.00 0.00 C ATOM 729 C LEU A 47 1.359 2.533 8.105 1.00 0.00 C ATOM 730 O LEU A 47 2.471 2.948 7.812 1.00 0.00 O ATOM 731 CB LEU A 47 1.470 3.115 10.490 1.00 0.00 C ATOM 732 CG LEU A 47 0.823 3.552 11.800 1.00 0.00 C ATOM 733 CD1 LEU A 47 -0.084 4.755 11.598 1.00 0.00 C ATOM 734 CD2 LEU A 47 0.076 2.388 12.416 1.00 0.00 C ATOM 0 H LEU A 47 -0.837 2.178 10.341 1.00 0.00 H new ATOM 0 HA LEU A 47 0.430 4.255 8.949 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.794 2.080 10.599 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.367 3.715 10.336 1.00 0.00 H new ATOM 0 HG LEU A 47 1.608 3.863 12.490 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.529 5.040 12.552 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.499 5.588 11.206 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.874 4.501 10.891 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.384 2.705 13.352 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.698 2.047 11.728 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.772 1.572 12.612 1.00 0.00 H new ATOM 746 N GLU A 48 0.820 1.505 7.459 1.00 0.00 N ATOM 747 CA GLU A 48 1.607 0.893 6.407 1.00 0.00 C ATOM 748 C GLU A 48 1.558 1.793 5.192 1.00 0.00 C ATOM 749 O GLU A 48 2.474 1.812 4.376 1.00 0.00 O ATOM 750 CB GLU A 48 1.043 -0.479 6.037 1.00 0.00 C ATOM 751 CG GLU A 48 2.061 -1.423 5.430 1.00 0.00 C ATOM 752 CD GLU A 48 3.304 -1.599 6.280 1.00 0.00 C ATOM 753 OE1 GLU A 48 3.208 -2.239 7.350 1.00 0.00 O ATOM 754 OE2 GLU A 48 4.379 -1.110 5.881 1.00 0.00 O ATOM 0 H GLU A 48 -0.100 1.101 7.632 1.00 0.00 H new ATOM 0 HA GLU A 48 2.632 0.763 6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.623 -0.940 6.931 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.222 -0.345 5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.595 -2.396 5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.352 -1.049 4.448 1.00 0.00 H new ATOM 761 N TYR A 49 0.561 2.671 5.171 1.00 0.00 N ATOM 762 CA TYR A 49 0.493 3.666 4.124 1.00 0.00 C ATOM 763 C TYR A 49 1.343 4.856 4.519 1.00 0.00 C ATOM 764 O TYR A 49 1.740 5.665 3.680 1.00 0.00 O ATOM 765 CB TYR A 49 -0.979 4.053 3.888 1.00 0.00 C ATOM 766 CG TYR A 49 -1.264 5.530 3.765 1.00 0.00 C ATOM 767 CD1 TYR A 49 -1.240 6.152 2.530 1.00 0.00 C ATOM 768 CD2 TYR A 49 -1.585 6.293 4.878 1.00 0.00 C ATOM 769 CE1 TYR A 49 -1.524 7.497 2.401 1.00 0.00 C ATOM 770 CE2 TYR A 49 -1.865 7.644 4.759 1.00 0.00 C ATOM 771 CZ TYR A 49 -1.834 8.243 3.518 1.00 0.00 C ATOM 772 OH TYR A 49 -2.117 9.585 3.389 1.00 0.00 O ATOM 0 H TYR A 49 -0.194 2.710 5.856 1.00 0.00 H new ATOM 0 HA TYR A 49 0.885 3.273 3.186 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.322 3.560 2.978 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.575 3.656 4.710 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.995 5.575 1.651 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.617 5.827 5.852 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.503 7.964 1.427 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.107 8.226 5.636 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.316 9.964 4.271 1.00 0.00 H new ATOM 782 N LYS A 50 1.668 4.925 5.805 1.00 0.00 N ATOM 783 CA LYS A 50 2.603 5.909 6.290 1.00 0.00 C ATOM 784 C LYS A 50 4.020 5.356 6.238 1.00 0.00 C ATOM 785 O LYS A 50 4.997 6.099 6.324 1.00 0.00 O ATOM 786 CB LYS A 50 2.212 6.304 7.707 1.00 0.00 C ATOM 787 CG LYS A 50 2.530 7.748 8.031 1.00 0.00 C ATOM 788 CD LYS A 50 1.824 8.206 9.291 1.00 0.00 C ATOM 789 CE LYS A 50 0.332 8.400 9.057 1.00 0.00 C ATOM 790 NZ LYS A 50 -0.319 9.125 10.180 1.00 0.00 N ATOM 0 H LYS A 50 1.292 4.306 6.524 1.00 0.00 H new ATOM 0 HA LYS A 50 2.574 6.796 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.144 6.134 7.843 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.731 5.657 8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.607 7.865 8.154 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.233 8.383 7.196 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.977 7.472 10.082 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.264 9.142 9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.179 8.954 8.131 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.144 7.428 8.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.334 9.236 9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.196 8.584 11.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.117 10.063 10.287 1.00 0.00 H new ATOM 804 N ALA A 51 4.128 4.043 6.040 1.00 0.00 N ATOM 805 CA ALA A 51 5.428 3.406 5.917 1.00 0.00 C ATOM 806 C ALA A 51 5.867 3.519 4.488 1.00 0.00 C ATOM 807 O ALA A 51 7.000 3.227 4.117 1.00 0.00 O ATOM 808 CB ALA A 51 5.341 1.954 6.341 1.00 0.00 C ATOM 0 H ALA A 51 3.334 3.408 5.962 1.00 0.00 H new ATOM 0 HA ALA A 51 6.154 3.896 6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.321 1.487 6.244 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.013 1.897 7.379 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.626 1.431 5.705 1.00 0.00 H new ATOM 814 N LEU A 52 4.936 4.010 3.711 1.00 0.00 N ATOM 815 CA LEU A 52 5.035 4.024 2.285 1.00 0.00 C ATOM 816 C LEU A 52 4.791 5.440 1.798 1.00 0.00 C ATOM 817 O LEU A 52 4.440 5.686 0.645 1.00 0.00 O ATOM 818 CB LEU A 52 4.007 3.025 1.765 1.00 0.00 C ATOM 819 CG LEU A 52 4.080 2.683 0.296 1.00 0.00 C ATOM 820 CD1 LEU A 52 5.488 2.284 -0.081 1.00 0.00 C ATOM 821 CD2 LEU A 52 3.119 1.555 -0.014 1.00 0.00 C ATOM 0 H LEU A 52 4.071 4.419 4.066 1.00 0.00 H new ATOM 0 HA LEU A 52 6.020 3.732 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.110 2.102 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.013 3.419 1.974 1.00 0.00 H new ATOM 0 HG LEU A 52 3.801 3.561 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.525 2.040 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.168 3.110 0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.788 1.413 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.174 1.311 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.386 0.677 0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.104 1.863 0.235 1.00 0.00 H new ATOM 833 N GLY A 53 5.012 6.377 2.710 1.00 0.00 N ATOM 834 CA GLY A 53 4.914 7.777 2.376 1.00 0.00 C ATOM 835 C GLY A 53 6.240 8.322 1.883 1.00 0.00 C ATOM 836 O GLY A 53 6.480 9.524 1.920 1.00 0.00 O ATOM 0 H GLY A 53 5.259 6.187 3.681 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.153 7.917 1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.590 8.340 3.252 1.00 0.00 H new ATOM 840 N ASP A 54 7.111 7.420 1.457 1.00 0.00 N ATOM 841 CA ASP A 54 8.374 7.801 0.838 1.00 0.00 C ATOM 842 C ASP A 54 8.327 7.388 -0.626 1.00 0.00 C ATOM 843 O ASP A 54 8.771 8.106 -1.517 1.00 0.00 O ATOM 844 CB ASP A 54 9.540 7.119 1.559 1.00 0.00 C ATOM 845 CG ASP A 54 10.872 7.791 1.294 1.00 0.00 C ATOM 846 OD1 ASP A 54 11.081 8.912 1.799 1.00 0.00 O ATOM 847 OD2 ASP A 54 11.734 7.180 0.626 1.00 0.00 O ATOM 0 H ASP A 54 6.966 6.413 1.529 1.00 0.00 H new ATOM 0 HA ASP A 54 8.524 8.878 0.911 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.346 7.118 2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.596 6.077 1.244 1.00 0.00 H new ATOM 852 N GLU A 55 7.736 6.220 -0.848 1.00 0.00 N ATOM 853 CA GLU A 55 7.431 5.730 -2.182 1.00 0.00 C ATOM 854 C GLU A 55 5.981 6.061 -2.493 1.00 0.00 C ATOM 855 O GLU A 55 5.185 5.176 -2.793 1.00 0.00 O ATOM 856 CB GLU A 55 7.619 4.208 -2.271 1.00 0.00 C ATOM 857 CG GLU A 55 9.025 3.711 -1.979 1.00 0.00 C ATOM 858 CD GLU A 55 10.065 4.234 -2.950 1.00 0.00 C ATOM 859 OE1 GLU A 55 10.639 5.305 -2.681 1.00 0.00 O ATOM 860 OE2 GLU A 55 10.321 3.569 -3.978 1.00 0.00 O ATOM 0 H GLU A 55 7.454 5.584 -0.102 1.00 0.00 H new ATOM 0 HA GLU A 55 8.107 6.204 -2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.930 3.732 -1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.336 3.881 -3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.303 4.006 -0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.030 2.621 -2.006 1.00 0.00 H new ATOM 867 N ASP A 56 5.635 7.338 -2.395 1.00 0.00 N ATOM 868 CA ASP A 56 4.241 7.763 -2.494 1.00 0.00 C ATOM 869 C ASP A 56 3.617 7.306 -3.794 1.00 0.00 C ATOM 870 O ASP A 56 2.522 6.747 -3.791 1.00 0.00 O ATOM 871 CB ASP A 56 4.102 9.280 -2.413 1.00 0.00 C ATOM 872 CG ASP A 56 5.027 9.907 -1.400 1.00 0.00 C ATOM 873 OD1 ASP A 56 6.186 10.189 -1.755 1.00 0.00 O ATOM 874 OD2 ASP A 56 4.596 10.113 -0.250 1.00 0.00 O ATOM 0 H ASP A 56 6.298 8.099 -2.247 1.00 0.00 H new ATOM 0 HA ASP A 56 3.726 7.304 -1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.303 9.710 -3.394 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.072 9.531 -2.160 1.00 0.00 H new ATOM 879 N ASN A 57 4.320 7.523 -4.903 1.00 0.00 N ATOM 880 CA ASN A 57 3.756 7.243 -6.211 1.00 0.00 C ATOM 881 C ASN A 57 3.698 5.743 -6.426 1.00 0.00 C ATOM 882 O ASN A 57 2.859 5.244 -7.168 1.00 0.00 O ATOM 883 CB ASN A 57 4.561 7.938 -7.317 1.00 0.00 C ATOM 884 CG ASN A 57 5.684 7.096 -7.902 1.00 0.00 C ATOM 885 OD1 ASN A 57 5.508 6.430 -8.912 1.00 0.00 O ATOM 886 ND2 ASN A 57 6.845 7.109 -7.261 1.00 0.00 N ATOM 0 H ASN A 57 5.272 7.889 -4.918 1.00 0.00 H new ATOM 0 HA ASN A 57 2.742 7.641 -6.256 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.881 8.223 -8.120 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.985 8.859 -6.917 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.626 6.552 -7.608 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.957 7.676 -6.421 1.00 0.00 H new ATOM 893 N ILE A 58 4.570 5.026 -5.741 1.00 0.00 N ATOM 894 CA ILE A 58 4.508 3.592 -5.729 1.00 0.00 C ATOM 895 C ILE A 58 3.267 3.172 -4.967 1.00 0.00 C ATOM 896 O ILE A 58 2.444 2.427 -5.475 1.00 0.00 O ATOM 897 CB ILE A 58 5.755 2.987 -5.062 1.00 0.00 C ATOM 898 CG1 ILE A 58 6.989 3.184 -5.942 1.00 0.00 C ATOM 899 CG2 ILE A 58 5.555 1.517 -4.747 1.00 0.00 C ATOM 900 CD1 ILE A 58 7.649 4.524 -5.754 1.00 0.00 C ATOM 0 H ILE A 58 5.329 5.423 -5.187 1.00 0.00 H new ATOM 0 HA ILE A 58 4.469 3.228 -6.756 1.00 0.00 H new ATOM 0 HB ILE A 58 5.914 3.512 -4.120 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.711 2.398 -5.723 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.702 3.072 -6.988 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.455 1.120 -4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.710 1.402 -4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.357 0.971 -5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.518 4.597 -6.409 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.942 5.316 -6.000 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.966 4.631 -4.717 1.00 0.00 H new ATOM 912 N ARG A 59 3.127 3.718 -3.766 1.00 0.00 N ATOM 913 CA ARG A 59 2.010 3.413 -2.889 1.00 0.00 C ATOM 914 C ARG A 59 0.664 3.554 -3.608 1.00 0.00 C ATOM 915 O ARG A 59 -0.160 2.636 -3.587 1.00 0.00 O ATOM 916 CB ARG A 59 2.058 4.317 -1.660 1.00 0.00 C ATOM 917 CG ARG A 59 0.703 4.538 -1.020 1.00 0.00 C ATOM 918 CD ARG A 59 0.791 5.394 0.213 1.00 0.00 C ATOM 919 NE ARG A 59 1.720 6.511 0.056 1.00 0.00 N ATOM 920 CZ ARG A 59 1.340 7.782 -0.027 1.00 0.00 C ATOM 921 NH1 ARG A 59 0.061 8.089 -0.170 1.00 0.00 N ATOM 922 NH2 ARG A 59 2.236 8.749 -0.003 1.00 0.00 N ATOM 0 H ARG A 59 3.789 4.387 -3.373 1.00 0.00 H new ATOM 0 HA ARG A 59 2.101 2.372 -2.577 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.732 3.880 -0.923 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.479 5.282 -1.944 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.035 5.009 -1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.264 3.575 -0.761 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.199 5.781 0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.107 4.779 1.056 1.00 0.00 H new ATOM 0 HE ARG A 59 2.717 6.303 0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.639 7.349 -0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.225 9.066 -0.233 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.227 8.524 0.080 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.938 9.722 -0.067 1.00 0.00 H new ATOM 936 N ARG A 60 0.460 4.695 -4.264 1.00 0.00 N ATOM 937 CA ARG A 60 -0.765 4.946 -5.003 1.00 0.00 C ATOM 938 C ARG A 60 -0.880 3.998 -6.192 1.00 0.00 C ATOM 939 O ARG A 60 -1.970 3.525 -6.520 1.00 0.00 O ATOM 940 CB ARG A 60 -0.787 6.397 -5.483 1.00 0.00 C ATOM 941 CG ARG A 60 0.566 6.879 -5.966 1.00 0.00 C ATOM 942 CD ARG A 60 0.483 8.185 -6.728 1.00 0.00 C ATOM 943 NE ARG A 60 -0.847 8.404 -7.287 1.00 0.00 N ATOM 944 CZ ARG A 60 -1.574 9.487 -7.071 1.00 0.00 C ATOM 945 NH1 ARG A 60 -1.094 10.486 -6.336 1.00 0.00 N ATOM 946 NH2 ARG A 60 -2.781 9.572 -7.592 1.00 0.00 N ATOM 0 H ARG A 60 1.134 5.460 -4.296 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.615 4.771 -4.343 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.512 6.496 -6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.126 7.038 -4.670 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.229 7.004 -5.110 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.011 6.117 -6.606 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.738 9.010 -6.063 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.219 8.184 -7.532 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.241 7.675 -7.882 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.159 10.420 -5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.661 11.318 -6.174 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.148 8.806 -8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.349 10.404 -7.430 1.00 0.00 H new ATOM 960 N GLN A 61 0.253 3.715 -6.824 1.00 0.00 N ATOM 961 CA GLN A 61 0.277 2.873 -8.006 1.00 0.00 C ATOM 962 C GLN A 61 -0.092 1.429 -7.664 1.00 0.00 C ATOM 963 O GLN A 61 -0.942 0.837 -8.334 1.00 0.00 O ATOM 964 CB GLN A 61 1.658 2.916 -8.672 1.00 0.00 C ATOM 965 CG GLN A 61 1.594 2.549 -10.137 1.00 0.00 C ATOM 966 CD GLN A 61 0.530 3.363 -10.833 1.00 0.00 C ATOM 967 OE1 GLN A 61 0.804 4.414 -11.417 1.00 0.00 O ATOM 968 NE2 GLN A 61 -0.701 2.895 -10.738 1.00 0.00 N ATOM 0 H GLN A 61 1.168 4.059 -6.534 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.465 3.261 -8.703 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.080 3.916 -8.567 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.330 2.231 -8.156 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.562 2.725 -10.606 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.377 1.486 -10.244 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.877 2.020 -10.244 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.476 3.408 -11.158 1.00 0.00 H new ATOM 977 N ILE A 62 0.544 0.856 -6.630 1.00 0.00 N ATOM 978 CA ILE A 62 0.224 -0.521 -6.235 1.00 0.00 C ATOM 979 C ILE A 62 -1.238 -0.620 -5.852 1.00 0.00 C ATOM 980 O ILE A 62 -1.896 -1.597 -6.183 1.00 0.00 O ATOM 981 CB ILE A 62 1.039 -1.075 -5.042 1.00 0.00 C ATOM 982 CG1 ILE A 62 2.287 -0.264 -4.765 1.00 0.00 C ATOM 983 CG2 ILE A 62 1.432 -2.515 -5.323 1.00 0.00 C ATOM 984 CD1 ILE A 62 2.748 -0.359 -3.326 1.00 0.00 C ATOM 0 H ILE A 62 1.263 1.311 -6.067 1.00 0.00 H new ATOM 0 HA ILE A 62 0.480 -1.118 -7.110 1.00 0.00 H new ATOM 0 HB ILE A 62 0.403 -1.013 -4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.088 -0.605 -5.421 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.097 0.781 -5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.006 -2.906 -4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.534 -3.117 -5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.038 -2.557 -6.228 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.646 0.244 -3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.962 0.009 -2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.969 -1.398 -3.082 1.00 0.00 H new ATOM 996 N PHE A 63 -1.742 0.409 -5.170 1.00 0.00 N ATOM 997 CA PHE A 63 -3.121 0.417 -4.708 1.00 0.00 C ATOM 998 C PHE A 63 -4.069 0.187 -5.874 1.00 0.00 C ATOM 999 O PHE A 63 -4.950 -0.678 -5.824 1.00 0.00 O ATOM 1000 CB PHE A 63 -3.442 1.733 -4.012 1.00 0.00 C ATOM 1001 CG PHE A 63 -4.904 2.064 -4.037 1.00 0.00 C ATOM 1002 CD1 PHE A 63 -5.806 1.337 -3.282 1.00 0.00 C ATOM 1003 CD2 PHE A 63 -5.383 3.079 -4.852 1.00 0.00 C ATOM 1004 CE1 PHE A 63 -7.154 1.616 -3.343 1.00 0.00 C ATOM 1005 CE2 PHE A 63 -6.730 3.364 -4.905 1.00 0.00 C ATOM 1006 CZ PHE A 63 -7.615 2.632 -4.156 1.00 0.00 C ATOM 0 H PHE A 63 -1.212 1.246 -4.928 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.251 -0.392 -3.990 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.103 1.683 -2.977 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.884 2.537 -4.491 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.451 0.545 -2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.692 3.653 -5.452 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.851 1.039 -2.754 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.089 4.164 -5.536 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.672 2.850 -4.202 1.00 0.00 H new ATOM 1016 N GLU A 64 -3.863 0.973 -6.915 1.00 0.00 N ATOM 1017 CA GLU A 64 -4.607 0.840 -8.157 1.00 0.00 C ATOM 1018 C GLU A 64 -4.538 -0.599 -8.682 1.00 0.00 C ATOM 1019 O GLU A 64 -5.551 -1.193 -9.051 1.00 0.00 O ATOM 1020 CB GLU A 64 -4.015 1.783 -9.211 1.00 0.00 C ATOM 1021 CG GLU A 64 -4.004 3.256 -8.821 1.00 0.00 C ATOM 1022 CD GLU A 64 -5.376 3.898 -8.859 1.00 0.00 C ATOM 1023 OE1 GLU A 64 -6.186 3.520 -9.730 1.00 0.00 O ATOM 1024 OE2 GLU A 64 -5.625 4.817 -8.046 1.00 0.00 O ATOM 0 H GLU A 64 -3.173 1.724 -6.924 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.649 1.096 -7.963 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.992 1.471 -9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.581 1.671 -10.136 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.592 3.355 -7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.339 3.797 -9.494 1.00 0.00 H new ATOM 1031 N ASP A 65 -3.324 -1.142 -8.700 1.00 0.00 N ATOM 1032 CA ASP A 65 -3.037 -2.432 -9.338 1.00 0.00 C ATOM 1033 C ASP A 65 -3.348 -3.642 -8.444 1.00 0.00 C ATOM 1034 O ASP A 65 -3.289 -4.778 -8.904 1.00 0.00 O ATOM 1035 CB ASP A 65 -1.570 -2.470 -9.780 1.00 0.00 C ATOM 1036 CG ASP A 65 -1.244 -3.672 -10.651 1.00 0.00 C ATOM 1037 OD1 ASP A 65 -1.625 -3.662 -11.837 1.00 0.00 O ATOM 1038 OD2 ASP A 65 -0.589 -4.618 -10.155 1.00 0.00 O ATOM 0 H ASP A 65 -2.508 -0.703 -8.274 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.699 -2.511 -10.200 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.338 -1.557 -10.328 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.930 -2.483 -8.897 1.00 0.00 H new ATOM 1043 N PHE A 66 -3.668 -3.406 -7.176 1.00 0.00 N ATOM 1044 CA PHE A 66 -3.795 -4.483 -6.196 1.00 0.00 C ATOM 1045 C PHE A 66 -4.732 -5.605 -6.645 1.00 0.00 C ATOM 1046 O PHE A 66 -4.351 -6.773 -6.659 1.00 0.00 O ATOM 1047 CB PHE A 66 -4.284 -3.892 -4.880 1.00 0.00 C ATOM 1048 CG PHE A 66 -3.191 -3.351 -4.006 1.00 0.00 C ATOM 1049 CD1 PHE A 66 -1.900 -3.840 -4.094 1.00 0.00 C ATOM 1050 CD2 PHE A 66 -3.470 -2.369 -3.071 1.00 0.00 C ATOM 1051 CE1 PHE A 66 -0.907 -3.360 -3.267 1.00 0.00 C ATOM 1052 CE2 PHE A 66 -2.478 -1.883 -2.244 1.00 0.00 C ATOM 1053 CZ PHE A 66 -1.195 -2.379 -2.341 1.00 0.00 C ATOM 0 H PHE A 66 -3.845 -2.475 -6.800 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.811 -4.937 -6.080 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.992 -3.092 -5.095 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.828 -4.660 -4.330 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.667 -4.606 -4.819 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.474 -1.979 -2.988 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.096 -3.752 -3.344 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.706 -1.114 -1.521 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.418 -2.000 -1.694 1.00 0.00 H new ATOM 1063 N LYS A 67 -5.937 -5.220 -7.028 1.00 0.00 N ATOM 1064 CA LYS A 67 -6.950 -6.130 -7.571 1.00 0.00 C ATOM 1065 C LYS A 67 -7.401 -7.198 -6.579 1.00 0.00 C ATOM 1066 O LYS A 67 -6.782 -8.250 -6.435 1.00 0.00 O ATOM 1067 CB LYS A 67 -6.474 -6.813 -8.858 1.00 0.00 C ATOM 1068 CG LYS A 67 -5.813 -5.894 -9.874 1.00 0.00 C ATOM 1069 CD LYS A 67 -6.686 -4.707 -10.225 1.00 0.00 C ATOM 1070 CE LYS A 67 -6.814 -4.558 -11.730 1.00 0.00 C ATOM 1071 NZ LYS A 67 -6.825 -5.877 -12.421 1.00 0.00 N ATOM 0 H LYS A 67 -6.252 -4.251 -6.972 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.807 -5.493 -7.791 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.769 -7.601 -8.593 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.329 -7.296 -9.331 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.863 -5.539 -9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.588 -6.458 -10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.674 -4.833 -9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.260 -3.798 -9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.731 -4.018 -11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.986 -3.958 -12.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.273 -5.776 -13.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.849 -6.214 -12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.361 -6.563 -11.852 1.00 0.00 H new ATOM 1085 N PRO A 68 -8.492 -6.902 -5.868 1.00 0.00 N ATOM 1086 CA PRO A 68 -9.193 -7.863 -5.007 1.00 0.00 C ATOM 1087 C PRO A 68 -9.948 -8.943 -5.776 1.00 0.00 C ATOM 1088 O PRO A 68 -9.776 -9.115 -6.986 1.00 0.00 O ATOM 1089 CB PRO A 68 -10.223 -7.001 -4.275 1.00 0.00 C ATOM 1090 CG PRO A 68 -9.773 -5.598 -4.471 1.00 0.00 C ATOM 1091 CD PRO A 68 -9.097 -5.575 -5.802 1.00 0.00 C ATOM 0 HA PRO A 68 -8.479 -8.390 -4.375 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.223 -7.153 -4.681 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.267 -7.255 -3.216 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.617 -4.909 -4.448 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.090 -5.291 -3.679 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.805 -5.410 -6.614 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.350 -4.784 -5.865 1.00 0.00 H new ATOM 1099 N GLU A 69 -10.823 -9.622 -5.033 1.00 0.00 N ATOM 1100 CA GLU A 69 -11.668 -10.700 -5.540 1.00 0.00 C ATOM 1101 C GLU A 69 -10.844 -11.764 -6.259 1.00 0.00 C ATOM 1102 O GLU A 69 -10.789 -11.744 -7.506 1.00 0.00 O ATOM 1103 CB GLU A 69 -12.776 -10.153 -6.449 1.00 0.00 C ATOM 1104 CG GLU A 69 -13.897 -11.152 -6.706 1.00 0.00 C ATOM 1105 CD GLU A 69 -14.501 -11.697 -5.423 1.00 0.00 C ATOM 1106 OE1 GLU A 69 -15.304 -10.986 -4.783 1.00 0.00 O ATOM 1107 OE2 GLU A 69 -14.177 -12.839 -5.043 1.00 0.00 O ATOM 1108 OXT GLU A 69 -10.248 -12.611 -5.566 1.00 0.00 O ATOM 0 H GLU A 69 -10.966 -9.433 -4.041 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.143 -11.176 -4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.197 -9.255 -5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.339 -9.855 -7.402 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.678 -10.672 -7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.511 -11.979 -7.302 1.00 0.00 H new TER 1115 GLU A 69